USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 817 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 33 TYR OH : rot 30:sc= 0.812 USER MOD Set 1.2: A 112 TYR OH : rot -146:sc= 0.19 USER MOD Set 2.1: A 84 MET CE :methyl -161:sc= -0.301 (180deg=-0.848) USER MOD Set 2.2: A 95 TYR OH : rot -52:sc= 0.262 USER MOD Set 3.1: A 18 SER OG : rot -112:sc= 0.531 USER MOD Set 3.2: A 83 GLN :FLIP amide:sc= 0.0426 F(o=-0.69,f=1.1) USER MOD Set 3.3: A 85 ASN :FLIP amide:sc= 0.498 F(o=-0.69,f=1.1) USER MOD Set 4.1: A 53 ASN : amide:sc= -1.58! C(o=-2!,f=-3.8!) USER MOD Set 4.2: A 55 SER OG : rot 180:sc= -0.457 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.504 F(o=-2.1,f=-0.5) USER MOD Single : A 22 SER OG : rot 33:sc= 0.557 USER MOD Single : A 23 CYS SG : rot -70:sc= -2.64 USER MOD Single : A 26 SER OG : rot 59:sc= -0.61 USER MOD Single : A 29 THR OG1 : rot 58:sc= 0.368 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.312 USER MOD Single : A 35 MET CE :methyl 149:sc= -1.77 (180deg=-3.35!) USER MOD Single : A 40 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0.543 (180deg=0.481) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.37 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.908 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 139:sc= 0.742 (180deg=0.0535) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.106 K(o=0.11,f=-4.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.298 USER MOD Single : A 96 ASN : amide:sc= -0.567 K(o=-0.57,f=-9.9!) USER MOD Single : A 97 CYS SG : rot -30:sc= -0.718 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0897 F(o=-1.1,f=-0.09) USER MOD Single : A 117 THR OG1 : rot 80:sc= 0.329 USER MOD Single : A 118 GLN : amide:sc= -0.0175 K(o=-0.018,f=-1.4) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.589 -2.788 -7.711 1.00 0.00 N ATOM 38 CA LEU A 3 1.783 -3.452 -8.251 1.00 0.00 C ATOM 39 C LEU A 3 2.041 -2.887 -9.656 1.00 0.00 C ATOM 40 O LEU A 3 1.240 -3.114 -10.573 1.00 0.00 O ATOM 41 CB LEU A 3 1.521 -4.979 -8.278 1.00 0.00 C ATOM 42 CG LEU A 3 2.721 -5.907 -8.597 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.819 -5.795 -7.521 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.242 -7.366 -8.767 1.00 0.00 C ATOM 0 HA LEU A 3 2.666 -3.272 -7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.121 -5.269 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.741 -5.173 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 3 3.162 -5.583 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.646 -6.458 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.179 -4.767 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.409 -6.080 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.096 -8.006 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.768 -7.703 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.524 -7.420 -9.585 1.00 0.00 H new ATOM 56 N GLN A 4 3.143 -2.133 -9.814 1.00 0.00 N ATOM 57 CA GLN A 4 3.410 -1.366 -11.041 1.00 0.00 C ATOM 58 C GLN A 4 3.883 -2.297 -12.178 1.00 0.00 C ATOM 59 O GLN A 4 4.855 -3.058 -12.029 1.00 0.00 O ATOM 60 CB GLN A 4 4.444 -0.238 -10.767 1.00 0.00 C ATOM 61 CG GLN A 4 4.754 0.663 -11.981 1.00 0.00 C ATOM 62 CD GLN A 4 5.801 1.738 -11.682 1.00 0.00 C ATOM 63 OE1 GLN A 4 6.997 1.527 -11.865 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.357 2.889 -11.207 1.00 0.00 N ATOM 0 H GLN A 4 3.867 -2.039 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 4 2.480 -0.897 -11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.073 0.386 -9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.373 -0.692 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.105 0.043 -12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.834 1.144 -12.313 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.357 3.031 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.015 3.635 -10.981 1.00 0.00 H new ATOM 73 N LEU A 5 3.135 -2.248 -13.289 1.00 0.00 N ATOM 74 CA LEU A 5 3.435 -2.946 -14.549 1.00 0.00 C ATOM 75 C LEU A 5 3.404 -1.917 -15.697 1.00 0.00 C ATOM 76 O LEU A 5 2.504 -1.062 -15.745 1.00 0.00 O ATOM 77 CB LEU A 5 2.397 -4.084 -14.783 1.00 0.00 C ATOM 78 CG LEU A 5 2.430 -5.248 -13.739 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.185 -6.150 -13.836 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.725 -6.070 -13.891 1.00 0.00 C ATOM 0 H LEU A 5 2.274 -1.703 -13.338 1.00 0.00 H new ATOM 0 HA LEU A 5 4.424 -3.403 -14.506 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.398 -3.647 -14.783 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.561 -4.504 -15.775 1.00 0.00 H new ATOM 0 HG LEU A 5 2.417 -4.799 -12.746 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.252 -6.944 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.290 -5.556 -13.653 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.131 -6.590 -14.832 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.733 -6.876 -13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.772 -6.492 -14.895 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.587 -5.424 -13.729 1.00 0.00 H new ATOM 92 N VAL A 6 4.408 -1.978 -16.592 1.00 0.00 N ATOM 93 CA VAL A 6 4.538 -1.067 -17.746 1.00 0.00 C ATOM 94 C VAL A 6 4.625 -1.923 -19.021 1.00 0.00 C ATOM 95 O VAL A 6 5.683 -2.454 -19.353 1.00 0.00 O ATOM 96 CB VAL A 6 5.818 -0.139 -17.627 1.00 0.00 C ATOM 97 CG1 VAL A 6 5.879 0.890 -18.790 1.00 0.00 C ATOM 98 CG2 VAL A 6 5.883 0.560 -16.240 1.00 0.00 C ATOM 0 H VAL A 6 5.158 -2.667 -16.534 1.00 0.00 H new ATOM 0 HA VAL A 6 3.670 -0.409 -17.777 1.00 0.00 H new ATOM 0 HB VAL A 6 6.698 -0.777 -17.710 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.768 1.511 -18.680 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.922 0.361 -19.742 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.990 1.521 -18.765 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.772 1.189 -16.191 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.995 1.176 -16.101 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.928 -0.194 -15.454 1.00 0.00 H new ATOM 108 N GLU A 7 3.503 -2.037 -19.735 1.00 0.00 N ATOM 109 CA GLU A 7 3.363 -2.945 -20.881 1.00 0.00 C ATOM 110 C GLU A 7 3.594 -2.169 -22.184 1.00 0.00 C ATOM 111 O GLU A 7 3.077 -1.056 -22.355 1.00 0.00 O ATOM 112 CB GLU A 7 1.960 -3.631 -20.884 1.00 0.00 C ATOM 113 CG GLU A 7 1.581 -4.389 -19.579 1.00 0.00 C ATOM 114 CD GLU A 7 0.814 -3.546 -18.528 1.00 0.00 C ATOM 115 OE1 GLU A 7 -0.273 -3.962 -18.100 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.274 -2.456 -18.151 1.00 0.00 O ATOM 0 H GLU A 7 2.659 -1.500 -19.535 1.00 0.00 H new ATOM 0 HA GLU A 7 4.113 -3.732 -20.799 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.203 -2.870 -21.074 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.921 -4.334 -21.716 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.972 -5.253 -19.843 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.494 -4.770 -19.121 1.00 0.00 H new ATOM 123 N SER A 8 4.381 -2.767 -23.085 1.00 0.00 N ATOM 124 CA SER A 8 4.714 -2.205 -24.405 1.00 0.00 C ATOM 125 C SER A 8 4.918 -3.354 -25.418 1.00 0.00 C ATOM 126 O SER A 8 4.813 -4.536 -25.060 1.00 0.00 O ATOM 127 CB SER A 8 5.982 -1.310 -24.312 1.00 0.00 C ATOM 128 OG SER A 8 5.804 -0.230 -23.399 1.00 0.00 O ATOM 0 H SER A 8 4.815 -3.675 -22.916 1.00 0.00 H new ATOM 0 HA SER A 8 3.891 -1.578 -24.748 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.832 -1.916 -23.997 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.221 -0.915 -25.299 1.00 0.00 H new ATOM 0 HG SER A 8 6.622 0.309 -23.366 1.00 0.00 H new ATOM 134 N GLY A 9 5.207 -2.990 -26.679 1.00 0.00 N ATOM 135 CA GLY A 9 5.419 -3.956 -27.767 1.00 0.00 C ATOM 136 C GLY A 9 4.252 -4.009 -28.750 1.00 0.00 C ATOM 137 O GLY A 9 4.371 -4.608 -29.825 1.00 0.00 O ATOM 0 H GLY A 9 5.300 -2.017 -26.971 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.330 -3.695 -28.306 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.574 -4.947 -27.341 1.00 0.00 H new ATOM 141 N GLY A 10 3.121 -3.392 -28.367 1.00 0.00 N ATOM 142 CA GLY A 10 1.921 -3.355 -29.206 1.00 0.00 C ATOM 143 C GLY A 10 2.056 -2.377 -30.373 1.00 0.00 C ATOM 144 O GLY A 10 2.569 -1.266 -30.197 1.00 0.00 O ATOM 0 H GLY A 10 3.018 -2.910 -27.474 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.721 -4.354 -29.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.063 -3.072 -28.596 1.00 0.00 H new ATOM 148 N GLY A 11 1.602 -2.802 -31.560 1.00 0.00 N ATOM 149 CA GLY A 11 1.643 -1.978 -32.773 1.00 0.00 C ATOM 150 C GLY A 11 0.949 -2.665 -33.938 1.00 0.00 C ATOM 151 O GLY A 11 0.286 -3.697 -33.740 1.00 0.00 O ATOM 0 H GLY A 11 1.196 -3.727 -31.705 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.165 -1.018 -32.578 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.680 -1.770 -33.038 1.00 0.00 H new ATOM 155 N LEU A 12 1.107 -2.109 -35.160 1.00 0.00 N ATOM 156 CA LEU A 12 0.448 -2.644 -36.370 1.00 0.00 C ATOM 157 C LEU A 12 1.197 -3.883 -36.912 1.00 0.00 C ATOM 158 O LEU A 12 2.430 -3.926 -36.917 1.00 0.00 O ATOM 159 CB LEU A 12 0.253 -1.521 -37.448 1.00 0.00 C ATOM 160 CG LEU A 12 1.530 -0.753 -37.969 1.00 0.00 C ATOM 161 CD1 LEU A 12 2.276 -1.511 -39.096 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.179 0.693 -38.411 1.00 0.00 C ATOM 0 H LEU A 12 1.687 -1.288 -35.333 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.551 -2.986 -36.099 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.240 -1.970 -38.310 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.435 -0.782 -37.037 1.00 0.00 H new ATOM 0 HG LEU A 12 2.216 -0.698 -37.124 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.144 -0.932 -39.411 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.603 -2.483 -38.726 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.606 -1.652 -39.944 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.080 1.194 -38.764 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.444 0.659 -39.215 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.766 1.242 -37.565 1.00 0.00 H new ATOM 174 N VAL A 13 0.421 -4.898 -37.312 1.00 0.00 N ATOM 175 CA VAL A 13 0.914 -6.161 -37.887 1.00 0.00 C ATOM 176 C VAL A 13 -0.170 -6.724 -38.831 1.00 0.00 C ATOM 177 O VAL A 13 -1.328 -6.394 -38.678 1.00 0.00 O ATOM 178 CB VAL A 13 1.293 -7.190 -36.741 1.00 0.00 C ATOM 179 CG1 VAL A 13 0.112 -7.430 -35.767 1.00 0.00 C ATOM 180 CG2 VAL A 13 1.840 -8.522 -37.315 1.00 0.00 C ATOM 0 H VAL A 13 -0.596 -4.865 -37.244 1.00 0.00 H new ATOM 0 HA VAL A 13 1.825 -5.983 -38.459 1.00 0.00 H new ATOM 0 HB VAL A 13 2.099 -6.736 -36.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.414 -8.141 -34.998 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.171 -6.487 -35.299 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.738 -7.831 -36.318 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.087 -9.197 -36.496 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.083 -8.983 -37.949 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.735 -8.324 -37.904 1.00 0.00 H new ATOM 190 N GLN A 14 0.212 -7.548 -39.814 1.00 0.00 N ATOM 191 CA GLN A 14 -0.728 -8.132 -40.799 1.00 0.00 C ATOM 192 C GLN A 14 -1.452 -9.353 -40.179 1.00 0.00 C ATOM 193 O GLN A 14 -0.924 -9.975 -39.244 1.00 0.00 O ATOM 194 CB GLN A 14 0.025 -8.560 -42.099 1.00 0.00 C ATOM 195 CG GLN A 14 0.788 -7.430 -42.843 1.00 0.00 C ATOM 196 CD GLN A 14 2.047 -6.892 -42.128 1.00 0.00 C ATOM 197 OE1 GLN A 14 2.782 -7.756 -41.420 1.00 0.00 O flip ATOM 198 NE2 GLN A 14 2.375 -5.715 -42.233 1.00 0.00 N flip ATOM 0 H GLN A 14 1.181 -7.834 -39.956 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.465 -7.374 -41.063 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.737 -9.345 -41.842 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.698 -8.998 -42.787 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.080 -7.800 -43.826 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.102 -6.599 -43.006 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.800 -5.072 -42.778 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.222 -5.379 -41.776 1.00 0.00 H new ATOM 207 N ALA A 15 -2.660 -9.679 -40.696 1.00 0.00 N ATOM 208 CA ALA A 15 -3.437 -10.864 -40.261 1.00 0.00 C ATOM 209 C ALA A 15 -2.742 -12.157 -40.725 1.00 0.00 C ATOM 210 O ALA A 15 -2.689 -12.447 -41.927 1.00 0.00 O ATOM 211 CB ALA A 15 -4.879 -10.792 -40.791 1.00 0.00 C ATOM 0 H ALA A 15 -3.121 -9.131 -41.422 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.481 -10.871 -39.172 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.432 -11.671 -40.461 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.363 -9.893 -40.408 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.865 -10.760 -41.880 1.00 0.00 H new ATOM 217 N GLY A 16 -2.209 -12.910 -39.752 1.00 0.00 N ATOM 218 CA GLY A 16 -1.355 -14.077 -40.002 1.00 0.00 C ATOM 219 C GLY A 16 0.102 -13.808 -39.629 1.00 0.00 C ATOM 220 O GLY A 16 0.972 -14.663 -39.837 1.00 0.00 O ATOM 0 H GLY A 16 -2.361 -12.723 -38.761 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.725 -14.927 -39.429 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.415 -14.352 -41.055 1.00 0.00 H new ATOM 224 N GLY A 17 0.355 -12.611 -39.068 1.00 0.00 N ATOM 225 CA GLY A 17 1.696 -12.185 -38.674 1.00 0.00 C ATOM 226 C GLY A 17 2.039 -12.521 -37.227 1.00 0.00 C ATOM 227 O GLY A 17 1.347 -13.318 -36.572 1.00 0.00 O ATOM 0 H GLY A 17 -0.369 -11.918 -38.878 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.426 -12.657 -39.331 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.784 -11.108 -38.820 1.00 0.00 H new ATOM 231 N SER A 18 3.121 -11.902 -36.737 1.00 0.00 N ATOM 232 CA SER A 18 3.667 -12.124 -35.388 1.00 0.00 C ATOM 233 C SER A 18 3.953 -10.773 -34.705 1.00 0.00 C ATOM 234 O SER A 18 4.124 -9.751 -35.384 1.00 0.00 O ATOM 235 CB SER A 18 4.959 -12.972 -35.494 1.00 0.00 C ATOM 236 OG SER A 18 4.712 -14.207 -36.161 1.00 0.00 O ATOM 0 H SER A 18 3.653 -11.219 -37.276 1.00 0.00 H new ATOM 0 HA SER A 18 2.939 -12.663 -34.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.722 -12.411 -36.033 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.352 -13.167 -34.496 1.00 0.00 H new ATOM 0 HG SER A 18 4.803 -14.946 -35.524 1.00 0.00 H new ATOM 242 N LEU A 19 4.018 -10.771 -33.363 1.00 0.00 N ATOM 243 CA LEU A 19 4.257 -9.539 -32.577 1.00 0.00 C ATOM 244 C LEU A 19 4.947 -9.892 -31.247 1.00 0.00 C ATOM 245 O LEU A 19 4.776 -10.997 -30.724 1.00 0.00 O ATOM 246 CB LEU A 19 2.911 -8.785 -32.338 1.00 0.00 C ATOM 247 CG LEU A 19 3.010 -7.351 -31.720 1.00 0.00 C ATOM 248 CD1 LEU A 19 3.872 -6.406 -32.593 1.00 0.00 C ATOM 249 CD2 LEU A 19 1.605 -6.762 -31.467 1.00 0.00 C ATOM 0 H LEU A 19 3.908 -11.610 -32.794 1.00 0.00 H new ATOM 0 HA LEU A 19 4.917 -8.875 -33.135 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.389 -8.709 -33.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.290 -9.396 -31.683 1.00 0.00 H new ATOM 0 HG LEU A 19 3.514 -7.442 -30.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.915 -5.421 -32.129 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.880 -6.811 -32.681 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.428 -6.321 -33.585 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.700 -5.765 -31.037 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.061 -6.700 -32.410 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.060 -7.405 -30.775 1.00 0.00 H new ATOM 261 N ARG A 20 5.744 -8.953 -30.716 1.00 0.00 N ATOM 262 CA ARG A 20 6.512 -9.156 -29.478 1.00 0.00 C ATOM 263 C ARG A 20 6.101 -8.131 -28.416 1.00 0.00 C ATOM 264 O ARG A 20 6.342 -6.932 -28.569 1.00 0.00 O ATOM 265 CB ARG A 20 8.030 -9.055 -29.763 1.00 0.00 C ATOM 266 CG ARG A 20 8.941 -9.422 -28.567 1.00 0.00 C ATOM 267 CD ARG A 20 8.682 -10.847 -28.042 1.00 0.00 C ATOM 268 NE ARG A 20 9.678 -11.256 -27.041 1.00 0.00 N ATOM 269 CZ ARG A 20 9.642 -12.388 -26.334 1.00 0.00 C ATOM 270 NH1 ARG A 20 8.579 -13.182 -26.359 1.00 0.00 N ATOM 271 NH2 ARG A 20 10.667 -12.696 -25.566 1.00 0.00 N ATOM 0 H ARG A 20 5.874 -8.031 -31.133 1.00 0.00 H new ATOM 0 HA ARG A 20 6.294 -10.154 -29.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.272 -9.709 -30.600 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.259 -8.037 -30.077 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.985 -9.334 -28.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.781 -8.707 -27.760 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.686 -10.896 -27.603 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.697 -11.549 -28.876 1.00 0.00 H new ATOM 0 HE ARG A 20 10.460 -10.623 -26.873 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.769 -12.932 -26.926 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.572 -14.042 -25.811 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.473 -12.073 -25.518 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.654 -13.557 -25.020 1.00 0.00 H new ATOM 285 N LEU A 21 5.477 -8.635 -27.347 1.00 0.00 N ATOM 286 CA LEU A 21 5.060 -7.845 -26.182 1.00 0.00 C ATOM 287 C LEU A 21 6.070 -8.066 -25.048 1.00 0.00 C ATOM 288 O LEU A 21 6.701 -9.132 -24.965 1.00 0.00 O ATOM 289 CB LEU A 21 3.624 -8.251 -25.721 1.00 0.00 C ATOM 290 CG LEU A 21 2.436 -7.918 -26.684 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.372 -6.417 -26.984 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.487 -8.747 -27.983 1.00 0.00 C ATOM 0 H LEU A 21 5.242 -9.624 -27.265 1.00 0.00 H new ATOM 0 HA LEU A 21 5.034 -6.789 -26.452 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.620 -9.326 -25.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.428 -7.766 -24.765 1.00 0.00 H new ATOM 0 HG LEU A 21 1.518 -8.198 -26.167 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.537 -6.215 -27.655 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.231 -5.866 -26.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.302 -6.100 -27.456 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.642 -8.480 -28.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.418 -8.539 -28.511 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.437 -9.808 -27.740 1.00 0.00 H new ATOM 304 N SER A 22 6.236 -7.049 -24.203 1.00 0.00 N ATOM 305 CA SER A 22 7.104 -7.113 -23.029 1.00 0.00 C ATOM 306 C SER A 22 6.589 -6.134 -21.963 1.00 0.00 C ATOM 307 O SER A 22 6.159 -5.025 -22.296 1.00 0.00 O ATOM 308 CB SER A 22 8.567 -6.793 -23.421 1.00 0.00 C ATOM 309 OG SER A 22 9.443 -6.886 -22.306 1.00 0.00 O ATOM 0 H SER A 22 5.767 -6.150 -24.316 1.00 0.00 H new ATOM 0 HA SER A 22 7.086 -8.122 -22.617 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.894 -7.483 -24.199 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.619 -5.789 -23.842 1.00 0.00 H new ATOM 0 HG SER A 22 9.128 -7.589 -21.701 1.00 0.00 H new ATOM 315 N CYS A 23 6.637 -6.545 -20.687 1.00 0.00 N ATOM 316 CA CYS A 23 6.184 -5.726 -19.552 1.00 0.00 C ATOM 317 C CYS A 23 7.342 -5.493 -18.568 1.00 0.00 C ATOM 318 O CYS A 23 7.951 -6.446 -18.090 1.00 0.00 O ATOM 319 CB CYS A 23 4.999 -6.413 -18.829 1.00 0.00 C ATOM 320 SG CYS A 23 4.362 -5.489 -17.407 1.00 0.00 S ATOM 0 H CYS A 23 6.993 -7.460 -20.412 1.00 0.00 H new ATOM 0 HA CYS A 23 5.848 -4.762 -19.933 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.189 -6.563 -19.543 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.315 -7.401 -18.494 1.00 0.00 H new ATOM 0 HG CYS A 23 5.234 -5.521 -16.443 1.00 0.00 H new ATOM 326 N ALA A 24 7.648 -4.218 -18.289 1.00 0.00 N ATOM 327 CA ALA A 24 8.599 -3.821 -17.248 1.00 0.00 C ATOM 328 C ALA A 24 7.844 -3.782 -15.914 1.00 0.00 C ATOM 329 O ALA A 24 6.925 -2.983 -15.734 1.00 0.00 O ATOM 330 CB ALA A 24 9.221 -2.453 -17.576 1.00 0.00 C ATOM 0 H ALA A 24 7.237 -3.428 -18.786 1.00 0.00 H new ATOM 0 HA ALA A 24 9.419 -4.537 -17.188 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.925 -2.176 -16.791 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.746 -2.511 -18.530 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.434 -1.701 -17.640 1.00 0.00 H new ATOM 336 N ALA A 25 8.237 -4.659 -15.002 1.00 0.00 N ATOM 337 CA ALA A 25 7.552 -4.890 -13.726 1.00 0.00 C ATOM 338 C ALA A 25 8.368 -4.294 -12.568 1.00 0.00 C ATOM 339 O ALA A 25 9.556 -3.988 -12.734 1.00 0.00 O ATOM 340 CB ALA A 25 7.362 -6.405 -13.539 1.00 0.00 C ATOM 0 H ALA A 25 9.061 -5.247 -15.126 1.00 0.00 H new ATOM 0 HA ALA A 25 6.578 -4.400 -13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.853 -6.594 -12.594 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.762 -6.800 -14.359 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.335 -6.896 -13.532 1.00 0.00 H new ATOM 346 N SER A 26 7.715 -4.118 -11.405 1.00 0.00 N ATOM 347 CA SER A 26 8.358 -3.577 -10.183 1.00 0.00 C ATOM 348 C SER A 26 9.439 -4.525 -9.618 1.00 0.00 C ATOM 349 O SER A 26 9.519 -5.700 -9.997 1.00 0.00 O ATOM 350 CB SER A 26 7.280 -3.328 -9.103 1.00 0.00 C ATOM 351 OG SER A 26 6.218 -2.549 -9.600 1.00 0.00 O ATOM 0 H SER A 26 6.728 -4.345 -11.281 1.00 0.00 H new ATOM 0 HA SER A 26 8.850 -2.644 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.895 -4.283 -8.746 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.731 -2.826 -8.247 1.00 0.00 H new ATOM 0 HG SER A 26 5.808 -3.005 -10.365 1.00 0.00 H new ATOM 357 N GLY A 27 10.234 -4.008 -8.655 1.00 0.00 N ATOM 358 CA GLY A 27 11.214 -4.819 -7.908 1.00 0.00 C ATOM 359 C GLY A 27 10.599 -5.515 -6.689 1.00 0.00 C ATOM 360 O GLY A 27 11.302 -5.855 -5.731 1.00 0.00 O ATOM 0 H GLY A 27 10.213 -3.027 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.640 -5.570 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.034 -4.180 -7.581 1.00 0.00 H new ATOM 364 N ARG A 28 9.271 -5.719 -6.742 1.00 0.00 N ATOM 365 CA ARG A 28 8.474 -6.366 -5.684 1.00 0.00 C ATOM 366 C ARG A 28 8.593 -7.900 -5.732 1.00 0.00 C ATOM 367 O ARG A 28 9.269 -8.469 -6.599 1.00 0.00 O ATOM 368 CB ARG A 28 6.974 -5.948 -5.836 1.00 0.00 C ATOM 369 CG ARG A 28 6.573 -4.616 -5.162 1.00 0.00 C ATOM 370 CD ARG A 28 6.663 -4.689 -3.615 1.00 0.00 C ATOM 371 NE ARG A 28 6.078 -5.945 -3.069 1.00 0.00 N ATOM 372 CZ ARG A 28 4.772 -6.246 -2.954 1.00 0.00 C ATOM 373 NH1 ARG A 28 3.829 -5.397 -3.340 1.00 0.00 N ATOM 374 NH2 ARG A 28 4.423 -7.426 -2.461 1.00 0.00 N ATOM 0 H ARG A 28 8.708 -5.431 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 28 8.862 -6.035 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.742 -5.879 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.352 -6.743 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.221 -3.818 -5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.555 -4.356 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.707 -4.616 -3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.145 -3.833 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 28 6.738 -6.653 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.087 -4.493 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.845 -5.649 -3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.141 -8.092 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.437 -7.668 -2.368 1.00 0.00 H new ATOM 388 N THR A 29 7.902 -8.550 -4.780 1.00 0.00 N ATOM 389 CA THR A 29 7.780 -10.006 -4.710 1.00 0.00 C ATOM 390 C THR A 29 6.725 -10.534 -5.711 1.00 0.00 C ATOM 391 O THR A 29 5.642 -10.994 -5.327 1.00 0.00 O ATOM 392 CB THR A 29 7.441 -10.465 -3.248 1.00 0.00 C ATOM 393 OG1 THR A 29 6.369 -9.655 -2.728 1.00 0.00 O ATOM 394 CG2 THR A 29 8.659 -10.380 -2.312 1.00 0.00 C ATOM 0 H THR A 29 7.408 -8.067 -4.030 1.00 0.00 H new ATOM 0 HA THR A 29 8.743 -10.434 -4.990 1.00 0.00 H new ATOM 0 HB THR A 29 7.138 -11.511 -3.291 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.585 -9.737 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.373 -10.708 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.455 -11.022 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.013 -9.350 -2.268 1.00 0.00 H new ATOM 402 N PHE A 30 7.069 -10.452 -7.009 1.00 0.00 N ATOM 403 CA PHE A 30 6.374 -11.195 -8.084 1.00 0.00 C ATOM 404 C PHE A 30 6.615 -12.699 -7.899 1.00 0.00 C ATOM 405 O PHE A 30 5.841 -13.522 -8.368 1.00 0.00 O ATOM 406 CB PHE A 30 6.867 -10.742 -9.483 1.00 0.00 C ATOM 407 CG PHE A 30 6.403 -9.347 -9.871 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.340 -9.169 -10.754 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.018 -8.215 -9.341 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.908 -7.908 -11.090 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.584 -6.956 -9.683 1.00 0.00 C ATOM 412 CZ PHE A 30 5.531 -6.799 -10.557 1.00 0.00 C ATOM 0 H PHE A 30 7.836 -9.870 -7.345 1.00 0.00 H new ATOM 0 HA PHE A 30 5.306 -10.985 -8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.956 -10.772 -9.502 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.516 -11.453 -10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.850 -10.032 -11.180 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.844 -8.327 -8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.080 -7.786 -11.772 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.070 -6.087 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.194 -5.809 -10.825 1.00 0.00 H new ATOM 422 N SER A 31 7.701 -13.001 -7.177 1.00 0.00 N ATOM 423 CA SER A 31 8.068 -14.352 -6.732 1.00 0.00 C ATOM 424 C SER A 31 6.972 -14.976 -5.829 1.00 0.00 C ATOM 425 O SER A 31 6.816 -16.196 -5.785 1.00 0.00 O ATOM 426 CB SER A 31 9.406 -14.265 -5.967 1.00 0.00 C ATOM 427 OG SER A 31 9.318 -13.333 -4.896 1.00 0.00 O ATOM 0 H SER A 31 8.369 -12.291 -6.877 1.00 0.00 H new ATOM 0 HA SER A 31 8.169 -14.998 -7.604 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.672 -15.248 -5.578 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.201 -13.966 -6.650 1.00 0.00 H new ATOM 0 HG SER A 31 10.176 -13.295 -4.424 1.00 0.00 H new ATOM 433 N SER A 32 6.241 -14.118 -5.096 1.00 0.00 N ATOM 434 CA SER A 32 5.134 -14.537 -4.212 1.00 0.00 C ATOM 435 C SER A 32 3.783 -14.547 -4.964 1.00 0.00 C ATOM 436 O SER A 32 2.803 -15.123 -4.480 1.00 0.00 O ATOM 437 CB SER A 32 5.074 -13.588 -2.996 1.00 0.00 C ATOM 438 OG SER A 32 6.332 -13.541 -2.332 1.00 0.00 O ATOM 0 H SER A 32 6.400 -13.111 -5.099 1.00 0.00 H new ATOM 0 HA SER A 32 5.321 -15.556 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.792 -12.587 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.304 -13.925 -2.303 1.00 0.00 H new ATOM 0 HG SER A 32 6.275 -12.933 -1.565 1.00 0.00 H new ATOM 444 N TYR A 33 3.745 -13.902 -6.145 1.00 0.00 N ATOM 445 CA TYR A 33 2.523 -13.756 -6.965 1.00 0.00 C ATOM 446 C TYR A 33 2.601 -14.634 -8.232 1.00 0.00 C ATOM 447 O TYR A 33 3.597 -15.314 -8.479 1.00 0.00 O ATOM 448 CB TYR A 33 2.327 -12.261 -7.376 1.00 0.00 C ATOM 449 CG TYR A 33 2.208 -11.250 -6.213 1.00 0.00 C ATOM 450 CD1 TYR A 33 1.499 -11.551 -5.043 1.00 0.00 C ATOM 451 CD2 TYR A 33 2.788 -9.976 -6.301 1.00 0.00 C ATOM 452 CE1 TYR A 33 1.379 -10.627 -4.016 1.00 0.00 C ATOM 453 CE2 TYR A 33 2.672 -9.053 -5.272 1.00 0.00 C ATOM 454 CZ TYR A 33 1.970 -9.382 -4.134 1.00 0.00 C ATOM 455 OH TYR A 33 1.835 -8.455 -3.117 1.00 0.00 O ATOM 0 H TYR A 33 4.566 -13.464 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 33 1.673 -14.083 -6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.166 -11.964 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.428 -12.188 -7.989 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.037 -12.522 -4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.338 -9.707 -7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.824 -10.879 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.131 -8.080 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 33 1.746 -8.921 -2.259 1.00 0.00 H new ATOM 465 N ALA A 34 1.501 -14.639 -8.987 1.00 0.00 N ATOM 466 CA ALA A 34 1.437 -15.120 -10.381 1.00 0.00 C ATOM 467 C ALA A 34 1.043 -13.918 -11.263 1.00 0.00 C ATOM 468 O ALA A 34 0.581 -12.896 -10.740 1.00 0.00 O ATOM 469 CB ALA A 34 0.425 -16.280 -10.511 1.00 0.00 C ATOM 0 H ALA A 34 0.602 -14.301 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 34 2.401 -15.514 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.393 -16.620 -11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.732 -17.104 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.565 -15.935 -10.211 1.00 0.00 H new ATOM 475 N MET A 35 1.255 -14.007 -12.580 1.00 0.00 N ATOM 476 CA MET A 35 0.897 -12.912 -13.512 1.00 0.00 C ATOM 477 C MET A 35 0.349 -13.509 -14.814 1.00 0.00 C ATOM 478 O MET A 35 0.716 -14.613 -15.182 1.00 0.00 O ATOM 479 CB MET A 35 2.135 -12.006 -13.816 1.00 0.00 C ATOM 480 CG MET A 35 1.801 -10.634 -14.470 1.00 0.00 C ATOM 481 SD MET A 35 2.894 -10.206 -15.845 1.00 0.00 S ATOM 482 CE MET A 35 2.374 -11.401 -17.080 1.00 0.00 C ATOM 0 H MET A 35 1.671 -14.821 -13.032 1.00 0.00 H new ATOM 0 HA MET A 35 0.133 -12.292 -13.044 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.672 -11.826 -12.885 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.812 -12.550 -14.475 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.771 -10.651 -14.827 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.862 -9.854 -13.711 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.500 -10.974 -18.075 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.981 -12.302 -16.992 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.325 -11.653 -16.923 1.00 0.00 H new ATOM 492 N GLY A 36 -0.503 -12.757 -15.520 1.00 0.00 N ATOM 493 CA GLY A 36 -1.064 -13.191 -16.798 1.00 0.00 C ATOM 494 C GLY A 36 -1.298 -12.034 -17.748 1.00 0.00 C ATOM 495 O GLY A 36 -1.433 -10.893 -17.314 1.00 0.00 O ATOM 0 H GLY A 36 -0.820 -11.835 -15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.389 -13.909 -17.263 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.007 -13.709 -16.621 1.00 0.00 H new ATOM 499 N TRP A 37 -1.345 -12.339 -19.052 1.00 0.00 N ATOM 500 CA TRP A 37 -1.683 -11.381 -20.111 1.00 0.00 C ATOM 501 C TRP A 37 -3.172 -11.529 -20.438 1.00 0.00 C ATOM 502 O TRP A 37 -3.666 -12.635 -20.683 1.00 0.00 O ATOM 503 CB TRP A 37 -0.818 -11.629 -21.378 1.00 0.00 C ATOM 504 CG TRP A 37 0.657 -11.361 -21.166 1.00 0.00 C ATOM 505 CD1 TRP A 37 1.582 -12.212 -20.624 1.00 0.00 C ATOM 506 CD2 TRP A 37 1.369 -10.152 -21.486 1.00 0.00 C ATOM 507 NE1 TRP A 37 2.816 -11.615 -20.600 1.00 0.00 N ATOM 508 CE2 TRP A 37 2.714 -10.347 -21.120 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.996 -8.927 -22.062 1.00 0.00 C ATOM 510 CZ2 TRP A 37 3.687 -9.363 -21.297 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.960 -7.948 -22.237 1.00 0.00 C ATOM 512 CH2 TRP A 37 3.294 -8.172 -21.859 1.00 0.00 C ATOM 0 H TRP A 37 -1.146 -13.275 -19.406 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.476 -10.367 -19.768 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.948 -12.662 -21.700 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.182 -10.994 -22.186 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.370 -13.209 -20.267 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.673 -12.044 -20.252 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.026 -8.751 -22.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.712 -9.531 -21.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.682 -6.999 -22.670 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.026 -7.393 -22.013 1.00 0.00 H new ATOM 523 N PHE A 38 -3.878 -10.404 -20.353 1.00 0.00 N ATOM 524 CA PHE A 38 -5.317 -10.279 -20.636 1.00 0.00 C ATOM 525 C PHE A 38 -5.493 -9.203 -21.720 1.00 0.00 C ATOM 526 O PHE A 38 -4.527 -8.509 -22.036 1.00 0.00 O ATOM 527 CB PHE A 38 -6.077 -9.897 -19.333 1.00 0.00 C ATOM 528 CG PHE A 38 -6.040 -10.961 -18.224 1.00 0.00 C ATOM 529 CD1 PHE A 38 -4.870 -11.223 -17.510 1.00 0.00 C ATOM 530 CD2 PHE A 38 -7.177 -11.701 -17.895 1.00 0.00 C ATOM 531 CE1 PHE A 38 -4.839 -12.187 -16.518 1.00 0.00 C ATOM 532 CE2 PHE A 38 -7.144 -12.661 -16.902 1.00 0.00 C ATOM 533 CZ PHE A 38 -5.975 -12.905 -16.215 1.00 0.00 C ATOM 0 H PHE A 38 -3.454 -9.519 -20.076 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.728 -11.223 -20.992 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.655 -8.971 -18.942 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.118 -9.691 -19.584 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.974 -10.664 -17.735 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.100 -11.520 -18.427 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.922 -12.377 -15.980 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.036 -13.221 -16.664 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.949 -13.657 -15.441 1.00 0.00 H new ATOM 543 N ARG A 39 -6.705 -9.049 -22.294 1.00 0.00 N ATOM 544 CA ARG A 39 -6.937 -8.024 -23.353 1.00 0.00 C ATOM 545 C ARG A 39 -8.377 -7.495 -23.342 1.00 0.00 C ATOM 546 O ARG A 39 -9.270 -8.120 -22.764 1.00 0.00 O ATOM 547 CB ARG A 39 -6.598 -8.580 -24.765 1.00 0.00 C ATOM 548 CG ARG A 39 -7.603 -9.618 -25.313 1.00 0.00 C ATOM 549 CD ARG A 39 -7.277 -10.109 -26.729 1.00 0.00 C ATOM 550 NE ARG A 39 -8.258 -11.105 -27.198 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.012 -12.062 -28.101 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.795 -12.214 -28.608 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.989 -12.879 -28.472 1.00 0.00 N ATOM 0 H ARG A 39 -7.526 -9.604 -22.054 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.267 -7.195 -23.126 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.542 -7.746 -25.464 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.608 -9.036 -24.732 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.630 -10.474 -24.639 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.601 -9.179 -25.312 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.262 -9.261 -27.414 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.279 -10.547 -26.742 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.198 -11.061 -26.803 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.038 -11.599 -28.310 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.617 -12.946 -29.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.921 -12.776 -28.070 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.809 -13.610 -29.160 1.00 0.00 H new ATOM 567 N GLN A 40 -8.564 -6.326 -23.999 1.00 0.00 N ATOM 568 CA GLN A 40 -9.888 -5.707 -24.242 1.00 0.00 C ATOM 569 C GLN A 40 -9.761 -4.525 -25.220 1.00 0.00 C ATOM 570 O GLN A 40 -8.718 -3.902 -25.278 1.00 0.00 O ATOM 571 CB GLN A 40 -10.526 -5.226 -22.911 1.00 0.00 C ATOM 572 CG GLN A 40 -9.681 -4.227 -22.086 1.00 0.00 C ATOM 573 CD GLN A 40 -10.314 -3.830 -20.740 1.00 0.00 C ATOM 574 OE1 GLN A 40 -9.601 -3.583 -19.765 1.00 0.00 O ATOM 575 NE2 GLN A 40 -11.642 -3.721 -20.678 1.00 0.00 N ATOM 0 H GLN A 40 -7.791 -5.780 -24.379 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.536 -6.464 -24.685 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.486 -4.762 -23.136 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.731 -6.099 -22.291 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.700 -4.665 -21.899 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.520 -3.327 -22.679 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.210 -3.931 -21.499 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.090 -3.427 -19.810 1.00 0.00 H new ATOM 584 N ALA A 41 -10.838 -4.242 -25.986 1.00 0.00 N ATOM 585 CA ALA A 41 -10.936 -3.069 -26.907 1.00 0.00 C ATOM 586 C ALA A 41 -12.279 -3.070 -27.691 1.00 0.00 C ATOM 587 O ALA A 41 -12.970 -2.044 -27.682 1.00 0.00 O ATOM 588 CB ALA A 41 -9.754 -2.933 -27.903 1.00 0.00 C ATOM 0 H ALA A 41 -11.677 -4.823 -25.988 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.891 -2.202 -26.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.907 -2.056 -28.532 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.822 -2.824 -27.349 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.701 -3.824 -28.529 1.00 0.00 H new ATOM 594 N PRO A 42 -12.684 -4.206 -28.405 1.00 0.00 N ATOM 595 CA PRO A 42 -13.919 -4.221 -29.233 1.00 0.00 C ATOM 596 C PRO A 42 -15.203 -4.417 -28.381 1.00 0.00 C ATOM 597 O PRO A 42 -15.908 -5.427 -28.504 1.00 0.00 O ATOM 598 CB PRO A 42 -13.649 -5.381 -30.230 1.00 0.00 C ATOM 599 CG PRO A 42 -12.789 -6.353 -29.481 1.00 0.00 C ATOM 600 CD PRO A 42 -11.978 -5.532 -28.487 1.00 0.00 C ATOM 0 HA PRO A 42 -14.114 -3.276 -29.740 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.580 -5.847 -30.553 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.145 -5.020 -31.127 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.399 -7.095 -28.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.134 -6.897 -30.162 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.939 -6.019 -27.513 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.948 -5.410 -28.824 1.00 0.00 H new ATOM 608 N GLY A 43 -15.487 -3.417 -27.516 1.00 0.00 N ATOM 609 CA GLY A 43 -16.637 -3.453 -26.601 1.00 0.00 C ATOM 610 C GLY A 43 -16.519 -4.508 -25.498 1.00 0.00 C ATOM 611 O GLY A 43 -17.508 -4.818 -24.822 1.00 0.00 O ATOM 0 H GLY A 43 -14.925 -2.569 -27.437 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.754 -2.472 -26.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.542 -3.644 -27.178 1.00 0.00 H new ATOM 615 N LYS A 44 -15.300 -5.045 -25.305 1.00 0.00 N ATOM 616 CA LYS A 44 -15.046 -6.183 -24.400 1.00 0.00 C ATOM 617 C LYS A 44 -14.369 -5.741 -23.093 1.00 0.00 C ATOM 618 O LYS A 44 -13.771 -4.658 -23.013 1.00 0.00 O ATOM 619 CB LYS A 44 -14.179 -7.261 -25.110 1.00 0.00 C ATOM 620 CG LYS A 44 -14.822 -7.846 -26.390 1.00 0.00 C ATOM 621 CD LYS A 44 -14.089 -9.097 -26.923 1.00 0.00 C ATOM 622 CE LYS A 44 -14.160 -10.288 -25.948 1.00 0.00 C ATOM 623 NZ LYS A 44 -13.453 -11.479 -26.484 1.00 0.00 N ATOM 0 H LYS A 44 -14.461 -4.702 -25.773 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.015 -6.611 -24.143 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.214 -6.824 -25.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.984 -8.074 -24.410 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.861 -8.103 -26.182 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.832 -7.081 -27.166 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.524 -9.389 -27.879 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.045 -8.849 -27.111 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.720 -10.003 -24.992 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.203 -10.540 -25.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.607 -12.289 -25.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.821 -11.705 -27.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.434 -11.279 -26.548 1.00 0.00 H new ATOM 637 N GLU A 45 -14.489 -6.612 -22.080 1.00 0.00 N ATOM 638 CA GLU A 45 -13.819 -6.471 -20.779 1.00 0.00 C ATOM 639 C GLU A 45 -12.481 -7.229 -20.795 1.00 0.00 C ATOM 640 O GLU A 45 -12.172 -7.940 -21.765 1.00 0.00 O ATOM 641 CB GLU A 45 -14.728 -7.035 -19.654 1.00 0.00 C ATOM 642 CG GLU A 45 -15.053 -8.537 -19.805 1.00 0.00 C ATOM 643 CD GLU A 45 -16.000 -9.070 -18.724 1.00 0.00 C ATOM 644 OE1 GLU A 45 -15.534 -9.739 -17.774 1.00 0.00 O ATOM 645 OE2 GLU A 45 -17.220 -8.836 -18.822 1.00 0.00 O ATOM 0 H GLU A 45 -15.066 -7.451 -22.144 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.629 -5.415 -20.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.241 -6.874 -18.692 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.661 -6.471 -19.638 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.500 -8.707 -20.784 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.124 -9.106 -19.776 1.00 0.00 H new ATOM 652 N ARG A 46 -11.708 -7.064 -19.708 1.00 0.00 N ATOM 653 CA ARG A 46 -10.432 -7.768 -19.486 1.00 0.00 C ATOM 654 C ARG A 46 -10.675 -9.299 -19.482 1.00 0.00 C ATOM 655 O ARG A 46 -11.228 -9.845 -18.518 1.00 0.00 O ATOM 656 CB ARG A 46 -9.839 -7.277 -18.127 1.00 0.00 C ATOM 657 CG ARG A 46 -8.533 -7.967 -17.679 1.00 0.00 C ATOM 658 CD ARG A 46 -7.997 -7.430 -16.334 1.00 0.00 C ATOM 659 NE ARG A 46 -7.600 -6.007 -16.432 1.00 0.00 N ATOM 660 CZ ARG A 46 -8.112 -4.983 -15.720 1.00 0.00 C ATOM 661 NH1 ARG A 46 -9.087 -5.175 -14.837 1.00 0.00 N ATOM 662 NH2 ARG A 46 -7.627 -3.758 -15.894 1.00 0.00 N ATOM 0 H ARG A 46 -11.955 -6.430 -18.948 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.722 -7.552 -20.284 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.656 -6.205 -18.198 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.590 -7.422 -17.350 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.707 -9.040 -17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.773 -7.828 -18.448 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.763 -7.542 -15.566 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.140 -8.026 -16.020 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.867 -5.779 -17.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.462 -6.112 -14.687 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.460 -4.386 -14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.873 -3.598 -16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.009 -2.978 -15.359 1.00 0.00 H new ATOM 676 N GLU A 47 -10.292 -9.965 -20.591 1.00 0.00 N ATOM 677 CA GLU A 47 -10.574 -11.400 -20.825 1.00 0.00 C ATOM 678 C GLU A 47 -9.296 -12.237 -20.664 1.00 0.00 C ATOM 679 O GLU A 47 -8.193 -11.748 -20.942 1.00 0.00 O ATOM 680 CB GLU A 47 -11.148 -11.606 -22.254 1.00 0.00 C ATOM 681 CG GLU A 47 -10.133 -11.360 -23.391 1.00 0.00 C ATOM 682 CD GLU A 47 -10.699 -11.620 -24.792 1.00 0.00 C ATOM 683 OE1 GLU A 47 -10.871 -10.661 -25.574 1.00 0.00 O ATOM 684 OE2 GLU A 47 -10.976 -12.798 -25.122 1.00 0.00 O ATOM 0 H GLU A 47 -9.777 -9.523 -21.353 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.307 -11.727 -20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.528 -12.624 -22.336 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.998 -10.937 -22.391 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.783 -10.329 -23.336 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.265 -12.000 -23.235 1.00 0.00 H new ATOM 691 N PHE A 48 -9.459 -13.500 -20.244 1.00 0.00 N ATOM 692 CA PHE A 48 -8.349 -14.460 -20.114 1.00 0.00 C ATOM 693 C PHE A 48 -7.755 -14.801 -21.494 1.00 0.00 C ATOM 694 O PHE A 48 -8.412 -15.432 -22.331 1.00 0.00 O ATOM 695 CB PHE A 48 -8.832 -15.748 -19.386 1.00 0.00 C ATOM 696 CG PHE A 48 -7.821 -16.909 -19.378 1.00 0.00 C ATOM 697 CD1 PHE A 48 -8.032 -18.065 -20.148 1.00 0.00 C ATOM 698 CD2 PHE A 48 -6.652 -16.844 -18.618 1.00 0.00 C ATOM 699 CE1 PHE A 48 -7.111 -19.099 -20.154 1.00 0.00 C ATOM 700 CE2 PHE A 48 -5.735 -17.885 -18.627 1.00 0.00 C ATOM 701 CZ PHE A 48 -5.965 -19.009 -19.392 1.00 0.00 C ATOM 0 H PHE A 48 -10.366 -13.887 -19.984 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.563 -13.999 -19.516 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.079 -15.494 -18.355 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.752 -16.091 -19.859 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.928 -18.149 -20.745 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.458 -15.970 -18.014 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.290 -19.977 -20.756 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.837 -17.815 -18.032 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.249 -19.817 -19.394 1.00 0.00 H new ATOM 711 N VAL A 49 -6.517 -14.344 -21.733 1.00 0.00 N ATOM 712 CA VAL A 49 -5.722 -14.774 -22.890 1.00 0.00 C ATOM 713 C VAL A 49 -4.834 -15.939 -22.445 1.00 0.00 C ATOM 714 O VAL A 49 -4.996 -17.065 -22.915 1.00 0.00 O ATOM 715 CB VAL A 49 -4.859 -13.603 -23.491 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.014 -14.074 -24.703 1.00 0.00 C ATOM 717 CG2 VAL A 49 -5.762 -12.404 -23.858 1.00 0.00 C ATOM 0 H VAL A 49 -6.042 -13.670 -21.133 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.394 -15.090 -23.688 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.154 -13.277 -22.727 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.433 -13.236 -25.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.339 -14.870 -24.389 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.676 -14.447 -25.485 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.151 -11.602 -24.272 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.500 -12.717 -24.597 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.273 -12.046 -22.964 1.00 0.00 H new ATOM 727 N ALA A 50 -3.935 -15.662 -21.484 1.00 0.00 N ATOM 728 CA ALA A 50 -2.967 -16.647 -20.987 1.00 0.00 C ATOM 729 C ALA A 50 -2.344 -16.177 -19.661 1.00 0.00 C ATOM 730 O ALA A 50 -2.045 -15.001 -19.512 1.00 0.00 O ATOM 731 CB ALA A 50 -1.886 -16.893 -22.051 1.00 0.00 C ATOM 0 H ALA A 50 -3.862 -14.750 -21.033 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.484 -17.587 -20.792 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.169 -17.625 -21.679 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.351 -17.271 -22.961 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.370 -15.958 -22.269 1.00 0.00 H new ATOM 737 N VAL A 51 -2.157 -17.108 -18.701 1.00 0.00 N ATOM 738 CA VAL A 51 -1.549 -16.816 -17.377 1.00 0.00 C ATOM 739 C VAL A 51 -0.321 -17.713 -17.140 1.00 0.00 C ATOM 740 O VAL A 51 -0.336 -18.900 -17.459 1.00 0.00 O ATOM 741 CB VAL A 51 -2.591 -16.979 -16.193 1.00 0.00 C ATOM 742 CG1 VAL A 51 -1.914 -16.849 -14.796 1.00 0.00 C ATOM 743 CG2 VAL A 51 -3.751 -15.956 -16.330 1.00 0.00 C ATOM 0 H VAL A 51 -2.422 -18.086 -18.819 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.232 -15.773 -17.388 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.002 -17.986 -16.267 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.665 -16.967 -14.015 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.153 -17.622 -14.687 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.450 -15.867 -14.707 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.452 -16.088 -15.506 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.348 -14.944 -16.305 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.268 -16.117 -17.276 1.00 0.00 H new ATOM 753 N VAL A 52 0.742 -17.118 -16.584 1.00 0.00 N ATOM 754 CA VAL A 52 1.985 -17.818 -16.211 1.00 0.00 C ATOM 755 C VAL A 52 2.168 -17.784 -14.674 1.00 0.00 C ATOM 756 O VAL A 52 1.600 -16.929 -13.979 1.00 0.00 O ATOM 757 CB VAL A 52 3.225 -17.151 -16.928 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.535 -15.735 -16.361 1.00 0.00 C ATOM 759 CG2 VAL A 52 4.482 -18.062 -16.911 1.00 0.00 C ATOM 0 H VAL A 52 0.766 -16.120 -16.376 1.00 0.00 H new ATOM 0 HA VAL A 52 1.917 -18.857 -16.534 1.00 0.00 H new ATOM 0 HB VAL A 52 2.943 -17.026 -17.973 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.395 -15.314 -16.883 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.670 -15.088 -16.506 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.758 -15.810 -15.297 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.305 -17.556 -17.416 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.764 -18.273 -15.880 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.260 -18.997 -17.425 1.00 0.00 H new ATOM 769 N ASN A 53 2.944 -18.737 -14.153 1.00 0.00 N ATOM 770 CA ASN A 53 3.406 -18.730 -12.754 1.00 0.00 C ATOM 771 C ASN A 53 4.690 -17.863 -12.648 1.00 0.00 C ATOM 772 O ASN A 53 5.326 -17.578 -13.673 1.00 0.00 O ATOM 773 CB ASN A 53 3.646 -20.194 -12.293 1.00 0.00 C ATOM 774 CG ASN A 53 4.103 -20.313 -10.841 1.00 0.00 C ATOM 775 OD1 ASN A 53 3.299 -20.342 -9.923 1.00 0.00 O ATOM 776 ND2 ASN A 53 5.401 -20.414 -10.629 1.00 0.00 N ATOM 0 H ASN A 53 3.274 -19.541 -14.688 1.00 0.00 H new ATOM 0 HA ASN A 53 2.655 -18.293 -12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.725 -20.762 -12.422 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.396 -20.651 -12.939 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.756 -20.520 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.050 -20.387 -11.416 1.00 0.00 H new ATOM 783 N TRP A 54 5.061 -17.447 -11.420 1.00 0.00 N ATOM 784 CA TRP A 54 6.271 -16.621 -11.166 1.00 0.00 C ATOM 785 C TRP A 54 7.558 -17.272 -11.721 1.00 0.00 C ATOM 786 O TRP A 54 8.382 -16.599 -12.340 1.00 0.00 O ATOM 787 CB TRP A 54 6.422 -16.322 -9.647 1.00 0.00 C ATOM 788 CG TRP A 54 6.467 -17.539 -8.736 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.400 -18.193 -8.176 1.00 0.00 C ATOM 790 CD2 TRP A 54 7.641 -18.225 -8.265 1.00 0.00 C ATOM 791 NE1 TRP A 54 5.838 -19.254 -7.428 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.208 -19.291 -7.461 1.00 0.00 C ATOM 793 CE3 TRP A 54 9.016 -18.044 -8.457 1.00 0.00 C ATOM 794 CZ2 TRP A 54 8.095 -20.173 -6.849 1.00 0.00 C ATOM 795 CZ3 TRP A 54 9.897 -18.921 -7.851 1.00 0.00 C ATOM 796 CH2 TRP A 54 9.434 -19.976 -7.056 1.00 0.00 C ATOM 0 H TRP A 54 4.535 -17.671 -10.575 1.00 0.00 H new ATOM 0 HA TRP A 54 6.132 -15.681 -11.701 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.335 -15.746 -9.498 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.591 -15.689 -9.336 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.365 -17.913 -8.306 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.240 -19.911 -6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.383 -17.233 -9.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.739 -20.985 -6.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.959 -18.790 -7.993 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.146 -20.647 -6.598 1.00 0.00 H new ATOM 807 N SER A 55 7.706 -18.587 -11.496 1.00 0.00 N ATOM 808 CA SER A 55 8.863 -19.365 -11.979 1.00 0.00 C ATOM 809 C SER A 55 8.693 -19.774 -13.446 1.00 0.00 C ATOM 810 O SER A 55 9.650 -20.229 -14.072 1.00 0.00 O ATOM 811 CB SER A 55 9.054 -20.619 -11.103 1.00 0.00 C ATOM 812 OG SER A 55 7.879 -21.410 -11.085 1.00 0.00 O ATOM 0 H SER A 55 7.028 -19.143 -10.974 1.00 0.00 H new ATOM 0 HA SER A 55 9.747 -18.731 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.888 -21.209 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.312 -20.321 -10.087 1.00 0.00 H new ATOM 0 HG SER A 55 8.025 -22.200 -10.524 1.00 0.00 H new ATOM 818 N GLY A 56 7.470 -19.600 -13.981 1.00 0.00 N ATOM 819 CA GLY A 56 7.129 -20.059 -15.325 1.00 0.00 C ATOM 820 C GLY A 56 6.936 -21.569 -15.402 1.00 0.00 C ATOM 821 O GLY A 56 6.867 -22.132 -16.494 1.00 0.00 O ATOM 0 H GLY A 56 6.702 -19.140 -13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.215 -19.563 -15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.918 -19.762 -16.016 1.00 0.00 H new ATOM 825 N ARG A 57 6.834 -22.216 -14.223 1.00 0.00 N ATOM 826 CA ARG A 57 6.712 -23.684 -14.103 1.00 0.00 C ATOM 827 C ARG A 57 5.313 -24.161 -14.552 1.00 0.00 C ATOM 828 O ARG A 57 5.132 -25.317 -14.934 1.00 0.00 O ATOM 829 CB ARG A 57 7.002 -24.110 -12.640 1.00 0.00 C ATOM 830 CG ARG A 57 7.273 -25.617 -12.429 1.00 0.00 C ATOM 831 CD ARG A 57 8.547 -26.097 -13.142 1.00 0.00 C ATOM 832 NE ARG A 57 8.883 -27.497 -12.814 1.00 0.00 N ATOM 833 CZ ARG A 57 10.126 -28.009 -12.799 1.00 0.00 C ATOM 834 NH1 ARG A 57 11.180 -27.257 -13.100 1.00 0.00 N ATOM 835 NH2 ARG A 57 10.304 -29.275 -12.470 1.00 0.00 N ATOM 0 H ARG A 57 6.834 -21.734 -13.324 1.00 0.00 H new ATOM 0 HA ARG A 57 7.443 -24.155 -14.760 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.865 -23.549 -12.281 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.153 -23.821 -12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.361 -25.820 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.420 -26.190 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.415 -26.001 -14.220 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.380 -25.452 -12.864 1.00 0.00 H new ATOM 0 HE ARG A 57 8.113 -28.124 -12.581 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.052 -26.276 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.116 -27.661 -13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.502 -29.857 -12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.244 -29.671 -12.456 1.00 0.00 H new ATOM 849 N ARG A 58 4.329 -23.250 -14.483 1.00 0.00 N ATOM 850 CA ARG A 58 2.956 -23.476 -14.974 1.00 0.00 C ATOM 851 C ARG A 58 2.611 -22.396 -16.008 1.00 0.00 C ATOM 852 O ARG A 58 2.898 -21.215 -15.786 1.00 0.00 O ATOM 853 CB ARG A 58 1.939 -23.424 -13.805 1.00 0.00 C ATOM 854 CG ARG A 58 2.109 -24.541 -12.753 1.00 0.00 C ATOM 855 CD ARG A 58 1.121 -24.400 -11.585 1.00 0.00 C ATOM 856 NE ARG A 58 1.291 -23.116 -10.862 1.00 0.00 N ATOM 857 CZ ARG A 58 0.321 -22.218 -10.617 1.00 0.00 C ATOM 858 NH1 ARG A 58 -0.914 -22.401 -11.067 1.00 0.00 N ATOM 859 NH2 ARG A 58 0.599 -21.129 -9.920 1.00 0.00 N ATOM 0 H ARG A 58 4.464 -22.323 -14.080 1.00 0.00 H new ATOM 0 HA ARG A 58 2.901 -24.464 -15.432 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.027 -22.458 -13.307 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.931 -23.480 -14.215 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.967 -25.511 -13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.128 -24.521 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.101 -24.470 -11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.261 -25.228 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 58 2.226 -22.895 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.141 -23.235 -11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.636 -21.708 -10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.545 -20.974 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.133 -20.444 -9.731 1.00 0.00 H new ATOM 873 N THR A 59 2.013 -22.815 -17.132 1.00 0.00 N ATOM 874 CA THR A 59 1.493 -21.917 -18.177 1.00 0.00 C ATOM 875 C THR A 59 0.091 -22.396 -18.604 1.00 0.00 C ATOM 876 O THR A 59 -0.120 -23.590 -18.859 1.00 0.00 O ATOM 877 CB THR A 59 2.445 -21.851 -19.425 1.00 0.00 C ATOM 878 OG1 THR A 59 2.794 -23.180 -19.854 1.00 0.00 O ATOM 879 CG2 THR A 59 3.728 -21.042 -19.150 1.00 0.00 C ATOM 0 H THR A 59 1.874 -23.803 -17.346 1.00 0.00 H new ATOM 0 HA THR A 59 1.436 -20.910 -17.763 1.00 0.00 H new ATOM 0 HB THR A 59 1.897 -21.336 -20.214 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.386 -23.127 -20.633 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.349 -21.029 -20.046 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.463 -20.020 -18.878 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.281 -21.504 -18.332 1.00 0.00 H new ATOM 887 N TYR A 60 -0.850 -21.447 -18.671 1.00 0.00 N ATOM 888 CA TYR A 60 -2.266 -21.680 -18.996 1.00 0.00 C ATOM 889 C TYR A 60 -2.616 -20.793 -20.190 1.00 0.00 C ATOM 890 O TYR A 60 -2.225 -19.630 -20.212 1.00 0.00 O ATOM 891 CB TYR A 60 -3.159 -21.321 -17.774 1.00 0.00 C ATOM 892 CG TYR A 60 -2.797 -22.097 -16.501 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.357 -23.349 -16.239 1.00 0.00 C ATOM 894 CD2 TYR A 60 -1.884 -21.585 -15.564 1.00 0.00 C ATOM 895 CE1 TYR A 60 -3.027 -24.060 -15.105 1.00 0.00 C ATOM 896 CE2 TYR A 60 -1.555 -22.298 -14.423 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.131 -23.534 -14.201 1.00 0.00 C ATOM 898 OH TYR A 60 -1.803 -24.255 -13.074 1.00 0.00 O ATOM 0 H TYR A 60 -0.643 -20.464 -18.495 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.438 -22.728 -19.239 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.075 -20.253 -17.575 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.201 -21.518 -18.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.064 -23.769 -16.939 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.431 -20.620 -15.736 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.471 -25.028 -14.926 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.852 -21.890 -13.711 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.868 -25.213 -13.268 1.00 0.00 H new ATOM 908 N TYR A 61 -3.312 -21.351 -21.191 1.00 0.00 N ATOM 909 CA TYR A 61 -3.668 -20.629 -22.431 1.00 0.00 C ATOM 910 C TYR A 61 -5.151 -20.834 -22.756 1.00 0.00 C ATOM 911 O TYR A 61 -5.724 -21.879 -22.425 1.00 0.00 O ATOM 912 CB TYR A 61 -2.810 -21.136 -23.627 1.00 0.00 C ATOM 913 CG TYR A 61 -1.296 -20.903 -23.490 1.00 0.00 C ATOM 914 CD1 TYR A 61 -0.689 -19.750 -23.997 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.475 -21.831 -22.839 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.667 -19.532 -23.852 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.883 -21.614 -22.700 1.00 0.00 C ATOM 918 CZ TYR A 61 1.450 -20.463 -23.203 1.00 0.00 C ATOM 919 OH TYR A 61 2.804 -20.231 -23.043 1.00 0.00 O ATOM 0 H TYR A 61 -3.646 -22.315 -21.168 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.471 -19.569 -22.273 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.987 -22.204 -23.754 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.156 -20.645 -24.536 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.292 -19.016 -24.512 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.911 -22.734 -22.438 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.114 -18.632 -24.247 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.499 -22.345 -22.198 1.00 0.00 H new ATOM 0 HH TYR A 61 3.210 -20.983 -22.564 1.00 0.00 H new ATOM 929 N ALA A 62 -5.756 -19.821 -23.393 1.00 0.00 N ATOM 930 CA ALA A 62 -7.071 -19.940 -24.042 1.00 0.00 C ATOM 931 C ALA A 62 -6.890 -20.732 -25.349 1.00 0.00 C ATOM 932 O ALA A 62 -5.856 -20.588 -26.008 1.00 0.00 O ATOM 933 CB ALA A 62 -7.676 -18.550 -24.311 1.00 0.00 C ATOM 0 H ALA A 62 -5.345 -18.891 -23.473 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.765 -20.467 -23.387 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.648 -18.663 -24.791 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.797 -18.017 -23.368 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.012 -17.984 -24.965 1.00 0.00 H new ATOM 939 N ASP A 63 -7.898 -21.531 -25.723 1.00 0.00 N ATOM 940 CA ASP A 63 -7.781 -22.543 -26.802 1.00 0.00 C ATOM 941 C ASP A 63 -7.335 -21.936 -28.159 1.00 0.00 C ATOM 942 O ASP A 63 -6.583 -22.572 -28.912 1.00 0.00 O ATOM 943 CB ASP A 63 -9.126 -23.287 -26.964 1.00 0.00 C ATOM 944 CG ASP A 63 -9.046 -24.469 -27.952 1.00 0.00 C ATOM 945 OD1 ASP A 63 -8.493 -25.529 -27.582 1.00 0.00 O ATOM 946 OD2 ASP A 63 -9.543 -24.352 -29.093 1.00 0.00 O ATOM 0 H ASP A 63 -8.821 -21.500 -25.291 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.999 -23.242 -26.504 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.451 -23.655 -25.991 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.885 -22.584 -27.308 1.00 0.00 H new ATOM 951 N SER A 64 -7.785 -20.698 -28.437 1.00 0.00 N ATOM 952 CA SER A 64 -7.459 -19.978 -29.682 1.00 0.00 C ATOM 953 C SER A 64 -5.980 -19.524 -29.712 1.00 0.00 C ATOM 954 O SER A 64 -5.307 -19.654 -30.737 1.00 0.00 O ATOM 955 CB SER A 64 -8.396 -18.762 -29.835 1.00 0.00 C ATOM 956 OG SER A 64 -9.756 -19.164 -29.829 1.00 0.00 O ATOM 0 H SER A 64 -8.385 -20.169 -27.804 1.00 0.00 H new ATOM 0 HA SER A 64 -7.606 -20.662 -30.518 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.218 -18.057 -29.023 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.171 -18.240 -30.765 1.00 0.00 H new ATOM 0 HG SER A 64 -10.330 -18.376 -29.926 1.00 0.00 H new ATOM 962 N VAL A 65 -5.477 -19.017 -28.567 1.00 0.00 N ATOM 963 CA VAL A 65 -4.097 -18.479 -28.463 1.00 0.00 C ATOM 964 C VAL A 65 -3.089 -19.580 -28.052 1.00 0.00 C ATOM 965 O VAL A 65 -1.875 -19.345 -28.015 1.00 0.00 O ATOM 966 CB VAL A 65 -4.020 -17.266 -27.459 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.043 -16.162 -27.838 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.186 -17.726 -25.987 1.00 0.00 C ATOM 0 H VAL A 65 -6.006 -18.967 -27.696 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.824 -18.117 -29.454 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.023 -16.832 -27.542 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.968 -15.338 -27.129 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.829 -15.797 -28.843 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.051 -16.575 -27.809 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.127 -16.861 -25.327 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.155 -18.211 -25.864 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.393 -18.430 -25.734 1.00 0.00 H new ATOM 978 N LYS A 66 -3.611 -20.778 -27.756 1.00 0.00 N ATOM 979 CA LYS A 66 -2.821 -21.921 -27.275 1.00 0.00 C ATOM 980 C LYS A 66 -1.935 -22.490 -28.399 1.00 0.00 C ATOM 981 O LYS A 66 -2.444 -22.890 -29.448 1.00 0.00 O ATOM 982 CB LYS A 66 -3.785 -23.009 -26.736 1.00 0.00 C ATOM 983 CG LYS A 66 -3.109 -24.288 -26.195 1.00 0.00 C ATOM 984 CD LYS A 66 -4.141 -25.319 -25.686 1.00 0.00 C ATOM 985 CE LYS A 66 -5.150 -25.742 -26.772 1.00 0.00 C ATOM 986 NZ LYS A 66 -6.158 -26.700 -26.257 1.00 0.00 N ATOM 0 H LYS A 66 -4.606 -20.984 -27.845 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.161 -21.589 -26.473 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.388 -22.573 -25.939 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.470 -23.291 -27.536 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.505 -24.739 -26.982 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.431 -24.024 -25.384 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.616 -26.202 -25.321 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.682 -24.897 -24.839 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.656 -24.858 -27.159 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.615 -26.194 -27.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.094 -26.458 -26.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.902 -27.664 -26.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.185 -26.650 -25.219 1.00 0.00 H new ATOM 1000 N GLY A 67 -0.607 -22.482 -28.174 1.00 0.00 N ATOM 1001 CA GLY A 67 0.360 -23.060 -29.115 1.00 0.00 C ATOM 1002 C GLY A 67 0.914 -22.058 -30.128 1.00 0.00 C ATOM 1003 O GLY A 67 1.851 -22.383 -30.867 1.00 0.00 O ATOM 0 H GLY A 67 -0.181 -22.077 -27.340 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.189 -23.488 -28.552 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.117 -23.880 -29.653 1.00 0.00 H new ATOM 1007 N ARG A 68 0.334 -20.840 -30.161 1.00 0.00 N ATOM 1008 CA ARG A 68 0.814 -19.729 -31.020 1.00 0.00 C ATOM 1009 C ARG A 68 1.348 -18.573 -30.143 1.00 0.00 C ATOM 1010 O ARG A 68 2.192 -17.786 -30.583 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.321 -19.256 -31.974 1.00 0.00 C ATOM 1012 CG ARG A 68 -1.515 -18.561 -31.281 1.00 0.00 C ATOM 1013 CD ARG A 68 -2.644 -18.180 -32.255 1.00 0.00 C ATOM 1014 NE ARG A 68 -3.282 -19.374 -32.825 1.00 0.00 N ATOM 1015 CZ ARG A 68 -4.095 -19.400 -33.884 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -4.366 -18.298 -34.571 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -4.632 -20.552 -34.252 1.00 0.00 N ATOM 0 H ARG A 68 -0.479 -20.596 -29.595 1.00 0.00 H new ATOM 0 HA ARG A 68 1.638 -20.082 -31.641 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.104 -18.569 -32.706 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.694 -20.119 -32.526 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.915 -19.222 -30.512 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.161 -17.662 -30.776 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.390 -17.580 -31.734 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.242 -17.562 -33.057 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.086 -20.266 -32.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.951 -17.409 -34.293 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.990 -18.340 -35.377 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.423 -21.402 -33.729 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.255 -20.590 -35.059 1.00 0.00 H new ATOM 1031 N PHE A 69 0.824 -18.473 -28.908 1.00 0.00 N ATOM 1032 CA PHE A 69 1.348 -17.570 -27.863 1.00 0.00 C ATOM 1033 C PHE A 69 2.255 -18.365 -26.913 1.00 0.00 C ATOM 1034 O PHE A 69 2.068 -19.577 -26.730 1.00 0.00 O ATOM 1035 CB PHE A 69 0.193 -16.892 -27.052 1.00 0.00 C ATOM 1036 CG PHE A 69 -0.560 -15.753 -27.756 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.086 -14.687 -27.018 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -0.756 -15.741 -29.134 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -1.777 -13.660 -27.638 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -1.446 -14.715 -29.751 1.00 0.00 C ATOM 1041 CZ PHE A 69 -1.958 -13.675 -29.001 1.00 0.00 C ATOM 0 H PHE A 69 0.019 -19.020 -28.603 1.00 0.00 H new ATOM 0 HA PHE A 69 1.918 -16.779 -28.351 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.529 -17.661 -26.779 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.611 -16.503 -26.124 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.951 -14.665 -25.947 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.361 -16.549 -29.732 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.175 -12.846 -27.050 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.585 -14.727 -30.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.500 -12.875 -29.484 1.00 0.00 H new ATOM 1051 N THR A 70 3.248 -17.675 -26.334 1.00 0.00 N ATOM 1052 CA THR A 70 4.121 -18.214 -25.279 1.00 0.00 C ATOM 1053 C THR A 70 4.502 -17.073 -24.319 1.00 0.00 C ATOM 1054 O THR A 70 4.852 -15.981 -24.778 1.00 0.00 O ATOM 1055 CB THR A 70 5.429 -18.862 -25.865 1.00 0.00 C ATOM 1056 OG1 THR A 70 5.104 -19.894 -26.810 1.00 0.00 O ATOM 1057 CG2 THR A 70 6.328 -19.465 -24.762 1.00 0.00 C ATOM 0 H THR A 70 3.471 -16.713 -26.588 1.00 0.00 H new ATOM 0 HA THR A 70 3.574 -18.997 -24.755 1.00 0.00 H new ATOM 0 HB THR A 70 5.977 -18.060 -26.358 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.930 -20.284 -27.165 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.218 -19.900 -25.216 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.623 -18.681 -24.064 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.778 -20.239 -24.227 1.00 0.00 H new ATOM 1065 N ILE A 71 4.421 -17.319 -22.992 1.00 0.00 N ATOM 1066 CA ILE A 71 4.877 -16.349 -21.972 1.00 0.00 C ATOM 1067 C ILE A 71 6.238 -16.816 -21.431 1.00 0.00 C ATOM 1068 O ILE A 71 6.442 -18.009 -21.177 1.00 0.00 O ATOM 1069 CB ILE A 71 3.893 -16.143 -20.738 1.00 0.00 C ATOM 1070 CG1 ILE A 71 2.432 -15.785 -21.167 1.00 0.00 C ATOM 1071 CG2 ILE A 71 4.443 -15.036 -19.791 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.630 -16.925 -21.751 1.00 0.00 C ATOM 0 H ILE A 71 4.043 -18.183 -22.602 1.00 0.00 H new ATOM 0 HA ILE A 71 4.925 -15.386 -22.480 1.00 0.00 H new ATOM 0 HB ILE A 71 3.849 -17.099 -20.217 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.901 -15.397 -20.298 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.474 -14.980 -21.900 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.761 -14.904 -18.951 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.425 -15.330 -19.419 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.529 -14.098 -20.339 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.633 -16.571 -22.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.130 -17.302 -22.644 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.548 -17.726 -21.016 1.00 0.00 H new ATOM 1084 N SER A 72 7.155 -15.862 -21.281 1.00 0.00 N ATOM 1085 CA SER A 72 8.452 -16.045 -20.620 1.00 0.00 C ATOM 1086 C SER A 72 8.694 -14.849 -19.689 1.00 0.00 C ATOM 1087 O SER A 72 8.037 -13.826 -19.842 1.00 0.00 O ATOM 1088 CB SER A 72 9.560 -16.174 -21.689 1.00 0.00 C ATOM 1089 OG SER A 72 9.276 -17.238 -22.590 1.00 0.00 O ATOM 0 H SER A 72 7.015 -14.912 -21.625 1.00 0.00 H new ATOM 0 HA SER A 72 8.462 -16.958 -20.024 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.648 -15.238 -22.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.520 -16.350 -21.204 1.00 0.00 H new ATOM 0 HG SER A 72 9.990 -17.300 -23.259 1.00 0.00 H new ATOM 1095 N ARG A 73 9.596 -14.983 -18.701 1.00 0.00 N ATOM 1096 CA ARG A 73 9.953 -13.860 -17.807 1.00 0.00 C ATOM 1097 C ARG A 73 11.305 -14.101 -17.114 1.00 0.00 C ATOM 1098 O ARG A 73 11.835 -15.218 -17.114 1.00 0.00 O ATOM 1099 CB ARG A 73 8.824 -13.536 -16.760 1.00 0.00 C ATOM 1100 CG ARG A 73 8.668 -14.477 -15.531 1.00 0.00 C ATOM 1101 CD ARG A 73 8.126 -15.899 -15.834 1.00 0.00 C ATOM 1102 NE ARG A 73 9.155 -16.823 -16.356 1.00 0.00 N ATOM 1103 CZ ARG A 73 10.120 -17.410 -15.609 1.00 0.00 C ATOM 1104 NH1 ARG A 73 10.304 -17.085 -14.329 1.00 0.00 N ATOM 1105 NH2 ARG A 73 10.920 -18.304 -16.159 1.00 0.00 N ATOM 0 H ARG A 73 10.091 -15.852 -18.499 1.00 0.00 H new ATOM 0 HA ARG A 73 10.052 -12.979 -18.442 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.996 -12.527 -16.386 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.872 -13.521 -17.291 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.639 -14.575 -15.046 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.000 -13.999 -14.814 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.701 -16.319 -14.923 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.315 -15.824 -16.559 1.00 0.00 H new ATOM 0 HE ARG A 73 9.137 -17.034 -17.354 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.711 -16.380 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.038 -17.542 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.810 -18.550 -17.143 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.648 -18.749 -15.600 1.00 0.00 H new ATOM 1119 N ASP A 74 11.854 -13.014 -16.555 1.00 0.00 N ATOM 1120 CA ASP A 74 13.083 -13.011 -15.756 1.00 0.00 C ATOM 1121 C ASP A 74 12.785 -12.258 -14.450 1.00 0.00 C ATOM 1122 O ASP A 74 12.630 -11.032 -14.462 1.00 0.00 O ATOM 1123 CB ASP A 74 14.250 -12.336 -16.534 1.00 0.00 C ATOM 1124 CG ASP A 74 14.635 -13.089 -17.823 1.00 0.00 C ATOM 1125 OD1 ASP A 74 14.100 -12.770 -18.904 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.473 -14.013 -17.762 1.00 0.00 O ATOM 0 H ASP A 74 11.442 -12.086 -16.650 1.00 0.00 H new ATOM 0 HA ASP A 74 13.396 -14.032 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.966 -11.315 -16.788 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.123 -12.272 -15.884 1.00 0.00 H new ATOM 1131 N ASN A 75 12.674 -13.015 -13.346 1.00 0.00 N ATOM 1132 CA ASN A 75 12.288 -12.496 -12.012 1.00 0.00 C ATOM 1133 C ASN A 75 13.355 -11.538 -11.445 1.00 0.00 C ATOM 1134 O ASN A 75 13.023 -10.614 -10.699 1.00 0.00 O ATOM 1135 CB ASN A 75 12.060 -13.676 -11.022 1.00 0.00 C ATOM 1136 CG ASN A 75 10.932 -14.640 -11.431 1.00 0.00 C ATOM 1137 OD1 ASN A 75 10.646 -14.826 -12.615 1.00 0.00 O ATOM 1138 ND2 ASN A 75 10.297 -15.283 -10.453 1.00 0.00 N ATOM 0 H ASN A 75 12.851 -14.019 -13.349 1.00 0.00 H new ATOM 0 HA ASN A 75 11.361 -11.936 -12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.988 -14.240 -10.929 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.834 -13.269 -10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.555 -15.947 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.552 -15.112 -9.480 1.00 0.00 H new ATOM 1145 N ALA A 76 14.633 -11.784 -11.805 1.00 0.00 N ATOM 1146 CA ALA A 76 15.769 -10.924 -11.403 1.00 0.00 C ATOM 1147 C ALA A 76 15.713 -9.569 -12.134 1.00 0.00 C ATOM 1148 O ALA A 76 15.877 -8.508 -11.526 1.00 0.00 O ATOM 1149 CB ALA A 76 17.110 -11.625 -11.689 1.00 0.00 C ATOM 0 H ALA A 76 14.907 -12.581 -12.380 1.00 0.00 H new ATOM 0 HA ALA A 76 15.692 -10.744 -10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 76 17.932 -10.976 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.159 -12.558 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.189 -11.837 -12.755 1.00 0.00 H new ATOM 1155 N LYS A 77 15.437 -9.640 -13.447 1.00 0.00 N ATOM 1156 CA LYS A 77 15.380 -8.460 -14.338 1.00 0.00 C ATOM 1157 C LYS A 77 14.032 -7.732 -14.213 1.00 0.00 C ATOM 1158 O LYS A 77 13.880 -6.613 -14.716 1.00 0.00 O ATOM 1159 CB LYS A 77 15.616 -8.884 -15.813 1.00 0.00 C ATOM 1160 CG LYS A 77 16.993 -9.531 -16.080 1.00 0.00 C ATOM 1161 CD LYS A 77 18.173 -8.592 -15.732 1.00 0.00 C ATOM 1162 CE LYS A 77 19.549 -9.217 -16.022 1.00 0.00 C ATOM 1163 NZ LYS A 77 20.657 -8.319 -15.606 1.00 0.00 N ATOM 0 H LYS A 77 15.246 -10.520 -13.926 1.00 0.00 H new ATOM 0 HA LYS A 77 16.169 -7.774 -14.032 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.836 -9.587 -16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.511 -8.007 -16.451 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.079 -10.447 -15.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.058 -9.816 -17.130 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.074 -7.668 -16.301 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.117 -8.325 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.635 -10.169 -15.497 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.634 -9.432 -17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 21.569 -8.772 -15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 20.589 -7.420 -16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 20.590 -8.135 -14.585 1.00 0.00 H new ATOM 1177 N ASN A 78 13.059 -8.413 -13.571 1.00 0.00 N ATOM 1178 CA ASN A 78 11.690 -7.911 -13.371 1.00 0.00 C ATOM 1179 C ASN A 78 11.013 -7.615 -14.722 1.00 0.00 C ATOM 1180 O ASN A 78 10.205 -6.707 -14.823 1.00 0.00 O ATOM 1181 CB ASN A 78 11.696 -6.642 -12.457 1.00 0.00 C ATOM 1182 CG ASN A 78 12.310 -6.853 -11.068 1.00 0.00 C ATOM 1183 OD1 ASN A 78 12.956 -5.955 -10.521 1.00 0.00 O ATOM 1184 ND2 ASN A 78 12.090 -8.014 -10.470 1.00 0.00 N ATOM 0 H ASN A 78 13.208 -9.340 -13.173 1.00 0.00 H new ATOM 0 HA ASN A 78 11.111 -8.687 -12.869 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.245 -5.849 -12.965 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.670 -6.294 -12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.458 -8.183 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.553 -8.739 -10.946 1.00 0.00 H new ATOM 1191 N THR A 79 11.361 -8.381 -15.766 1.00 0.00 N ATOM 1192 CA THR A 79 10.830 -8.153 -17.121 1.00 0.00 C ATOM 1193 C THR A 79 10.095 -9.407 -17.611 1.00 0.00 C ATOM 1194 O THR A 79 10.631 -10.513 -17.547 1.00 0.00 O ATOM 1195 CB THR A 79 11.978 -7.771 -18.113 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.774 -6.716 -17.545 1.00 0.00 O ATOM 1197 CG2 THR A 79 11.430 -7.312 -19.482 1.00 0.00 C ATOM 0 H THR A 79 12.009 -9.166 -15.699 1.00 0.00 H new ATOM 0 HA THR A 79 10.127 -7.321 -17.083 1.00 0.00 H new ATOM 0 HB THR A 79 12.584 -8.662 -18.274 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.494 -6.479 -18.166 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.261 -7.057 -20.139 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.848 -8.117 -19.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.794 -6.438 -19.345 1.00 0.00 H new ATOM 1205 N VAL A 80 8.868 -9.201 -18.104 1.00 0.00 N ATOM 1206 CA VAL A 80 7.997 -10.252 -18.637 1.00 0.00 C ATOM 1207 C VAL A 80 7.972 -10.135 -20.167 1.00 0.00 C ATOM 1208 O VAL A 80 8.226 -9.065 -20.714 1.00 0.00 O ATOM 1209 CB VAL A 80 6.534 -10.140 -18.056 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.668 -11.358 -18.474 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.559 -9.966 -16.511 1.00 0.00 C ATOM 0 H VAL A 80 8.444 -8.274 -18.144 1.00 0.00 H new ATOM 0 HA VAL A 80 8.389 -11.224 -18.339 1.00 0.00 H new ATOM 0 HB VAL A 80 6.073 -9.249 -18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.666 -11.252 -18.058 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.607 -11.405 -19.561 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.122 -12.274 -18.096 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.538 -9.891 -16.137 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.050 -10.826 -16.056 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.106 -9.058 -16.256 1.00 0.00 H new ATOM 1221 N TYR A 81 7.682 -11.249 -20.839 1.00 0.00 N ATOM 1222 CA TYR A 81 7.681 -11.362 -22.300 1.00 0.00 C ATOM 1223 C TYR A 81 6.458 -12.174 -22.747 1.00 0.00 C ATOM 1224 O TYR A 81 6.064 -13.133 -22.079 1.00 0.00 O ATOM 1225 CB TYR A 81 8.980 -12.057 -22.781 1.00 0.00 C ATOM 1226 CG TYR A 81 10.271 -11.312 -22.417 1.00 0.00 C ATOM 1227 CD1 TYR A 81 11.003 -11.649 -21.273 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.753 -10.264 -23.208 1.00 0.00 C ATOM 1229 CE1 TYR A 81 12.158 -10.972 -20.935 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.913 -9.587 -22.874 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.610 -9.944 -21.737 1.00 0.00 C ATOM 1232 OH TYR A 81 13.765 -9.265 -21.396 1.00 0.00 O ATOM 0 H TYR A 81 7.435 -12.121 -20.371 1.00 0.00 H new ATOM 0 HA TYR A 81 7.635 -10.365 -22.738 1.00 0.00 H new ATOM 0 HB2 TYR A 81 9.021 -13.059 -22.354 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.935 -12.174 -23.864 1.00 0.00 H new ATOM 0 HD1 TYR A 81 10.658 -12.455 -20.642 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.210 -9.978 -24.096 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.706 -11.246 -20.046 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.271 -8.783 -23.500 1.00 0.00 H new ATOM 0 HH TYR A 81 13.946 -8.572 -22.064 1.00 0.00 H new ATOM 1242 N LEU A 82 5.859 -11.760 -23.862 1.00 0.00 N ATOM 1243 CA LEU A 82 4.782 -12.489 -24.545 1.00 0.00 C ATOM 1244 C LEU A 82 5.130 -12.512 -26.033 1.00 0.00 C ATOM 1245 O LEU A 82 5.489 -11.483 -26.613 1.00 0.00 O ATOM 1246 CB LEU A 82 3.407 -11.808 -24.253 1.00 0.00 C ATOM 1247 CG LEU A 82 2.076 -12.483 -24.766 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.785 -12.182 -26.248 1.00 0.00 C ATOM 1249 CD2 LEU A 82 2.054 -14.000 -24.493 1.00 0.00 C ATOM 0 H LEU A 82 6.112 -10.889 -24.329 1.00 0.00 H new ATOM 0 HA LEU A 82 4.692 -13.514 -24.185 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.321 -11.698 -23.172 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.445 -10.803 -24.673 1.00 0.00 H new ATOM 0 HG LEU A 82 1.271 -12.029 -24.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.858 -12.673 -26.544 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.687 -11.106 -26.388 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.604 -12.555 -26.863 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.120 -14.423 -24.863 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.893 -14.474 -25.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.133 -14.178 -23.421 1.00 0.00 H new ATOM 1261 N GLN A 83 5.028 -13.691 -26.631 1.00 0.00 N ATOM 1262 CA GLN A 83 5.360 -13.928 -28.038 1.00 0.00 C ATOM 1263 C GLN A 83 4.054 -14.293 -28.767 1.00 0.00 C ATOM 1264 O GLN A 83 3.325 -15.171 -28.309 1.00 0.00 O ATOM 1265 CB GLN A 83 6.434 -15.068 -28.119 1.00 0.00 C ATOM 1266 CG GLN A 83 7.388 -15.027 -29.337 1.00 0.00 C ATOM 1267 CD GLN A 83 6.721 -15.319 -30.678 1.00 0.00 C ATOM 1268 OE1 GLN A 83 6.623 -16.595 -31.024 1.00 0.00 O flip ATOM 1269 NE2 GLN A 83 6.279 -14.407 -31.375 1.00 0.00 N flip ATOM 0 H GLN A 83 4.706 -14.529 -26.146 1.00 0.00 H new ATOM 0 HA GLN A 83 5.788 -13.047 -28.516 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.037 -15.035 -27.211 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.915 -16.027 -28.123 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.853 -14.042 -29.384 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.188 -15.750 -29.179 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.376 -13.439 -31.070 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.815 -14.619 -32.258 1.00 0.00 H new ATOM 1278 N MET A 84 3.766 -13.595 -29.871 1.00 0.00 N ATOM 1279 CA MET A 84 2.543 -13.781 -30.677 1.00 0.00 C ATOM 1280 C MET A 84 2.896 -14.389 -32.029 1.00 0.00 C ATOM 1281 O MET A 84 3.827 -13.926 -32.686 1.00 0.00 O ATOM 1282 CB MET A 84 1.836 -12.423 -30.944 1.00 0.00 C ATOM 1283 CG MET A 84 1.162 -11.782 -29.744 1.00 0.00 C ATOM 1284 SD MET A 84 0.302 -10.261 -30.204 1.00 0.00 S ATOM 1285 CE MET A 84 -0.756 -10.008 -28.789 1.00 0.00 C ATOM 0 H MET A 84 4.383 -12.872 -30.240 1.00 0.00 H new ATOM 0 HA MET A 84 1.880 -14.439 -30.115 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.572 -11.723 -31.340 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.087 -12.572 -31.721 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.453 -12.484 -29.305 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.908 -11.563 -28.980 1.00 0.00 H new ATOM 0 HE1 MET A 84 -1.566 -9.330 -29.057 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.172 -10.964 -28.471 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.176 -9.575 -27.974 1.00 0.00 H new ATOM 1295 N ASN A 85 2.139 -15.409 -32.437 1.00 0.00 N ATOM 1296 CA ASN A 85 2.162 -15.951 -33.810 1.00 0.00 C ATOM 1297 C ASN A 85 0.714 -16.139 -34.285 1.00 0.00 C ATOM 1298 O ASN A 85 -0.180 -16.352 -33.457 1.00 0.00 O ATOM 1299 CB ASN A 85 2.929 -17.305 -33.871 1.00 0.00 C ATOM 1300 CG ASN A 85 4.435 -17.216 -33.566 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.076 -16.117 -33.931 1.00 0.00 O flip ATOM 1302 ND2 ASN A 85 5.025 -18.144 -33.021 1.00 0.00 N flip ATOM 0 H ASN A 85 1.484 -15.892 -31.822 1.00 0.00 H new ATOM 0 HA ASN A 85 2.684 -15.251 -34.462 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.471 -17.997 -33.164 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.800 -17.734 -34.865 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.513 -18.983 -32.747 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.027 -18.076 -32.842 1.00 0.00 H new ATOM 1309 N SER A 86 0.497 -16.003 -35.608 1.00 0.00 N ATOM 1310 CA SER A 86 -0.783 -16.325 -36.274 1.00 0.00 C ATOM 1311 C SER A 86 -1.938 -15.475 -35.714 1.00 0.00 C ATOM 1312 O SER A 86 -2.956 -15.998 -35.246 1.00 0.00 O ATOM 1313 CB SER A 86 -1.080 -17.850 -36.174 1.00 0.00 C ATOM 1314 OG SER A 86 -0.040 -18.611 -36.774 1.00 0.00 O ATOM 0 H SER A 86 1.212 -15.663 -36.252 1.00 0.00 H new ATOM 0 HA SER A 86 -0.693 -16.073 -37.331 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.187 -18.136 -35.128 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.028 -18.073 -36.664 1.00 0.00 H new ATOM 0 HG SER A 86 -0.247 -19.566 -36.698 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.742 -14.150 -35.736 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.736 -13.196 -35.222 1.00 0.00 C ATOM 1322 C LEU A 87 -3.919 -13.053 -36.197 1.00 0.00 C ATOM 1323 O LEU A 87 -3.745 -12.612 -37.335 1.00 0.00 O ATOM 1324 CB LEU A 87 -2.065 -11.822 -34.956 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.983 -11.813 -33.832 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -0.336 -10.422 -33.684 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.573 -12.311 -32.490 1.00 0.00 C ATOM 0 H LEU A 87 -0.899 -13.712 -36.107 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.130 -13.578 -34.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.606 -11.475 -35.882 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.841 -11.102 -34.696 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.194 -12.506 -34.124 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.413 -10.451 -32.893 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.140 -10.140 -34.623 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.102 -9.689 -33.431 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.798 -12.295 -31.724 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.394 -11.660 -32.190 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.943 -13.329 -32.611 1.00 0.00 H new ATOM 1339 N LYS A 88 -5.114 -13.460 -35.737 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.384 -13.188 -36.432 1.00 0.00 C ATOM 1341 C LYS A 88 -6.687 -11.678 -36.338 1.00 0.00 C ATOM 1342 O LYS A 88 -6.373 -11.084 -35.323 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.535 -14.036 -35.798 1.00 0.00 C ATOM 1344 CG LYS A 88 -7.532 -15.523 -36.215 1.00 0.00 C ATOM 1345 CD LYS A 88 -7.783 -15.682 -37.729 1.00 0.00 C ATOM 1346 CE LYS A 88 -7.777 -17.141 -38.202 1.00 0.00 C ATOM 1347 NZ LYS A 88 -7.972 -17.232 -39.668 1.00 0.00 N ATOM 0 H LYS A 88 -5.227 -13.988 -34.871 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.305 -13.470 -37.482 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.460 -13.975 -34.712 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.492 -13.594 -36.077 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.575 -15.974 -35.954 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.300 -16.060 -35.659 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.744 -15.232 -37.979 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.020 -15.128 -38.276 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.832 -17.610 -37.929 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.566 -17.694 -37.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.963 -18.231 -39.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.885 -16.805 -39.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.205 -16.724 -40.152 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.324 -11.042 -37.376 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.565 -9.558 -37.406 1.00 0.00 C ATOM 1363 C PRO A 89 -8.460 -9.039 -36.239 1.00 0.00 C ATOM 1364 O PRO A 89 -8.526 -7.832 -35.979 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.238 -9.342 -38.790 1.00 0.00 C ATOM 1366 CG PRO A 89 -8.838 -10.674 -39.127 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.867 -11.698 -38.597 1.00 0.00 C ATOM 0 HA PRO A 89 -6.641 -8.996 -37.272 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.000 -8.564 -38.744 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.511 -9.033 -39.541 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.820 -10.790 -38.668 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.974 -10.782 -40.203 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.362 -12.641 -38.363 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.081 -11.921 -39.319 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.110 -9.978 -35.538 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.999 -9.706 -34.387 1.00 0.00 C ATOM 1377 C GLU A 90 -9.220 -9.664 -33.038 1.00 0.00 C ATOM 1378 O GLU A 90 -9.815 -9.399 -31.987 1.00 0.00 O ATOM 1379 CB GLU A 90 -11.089 -10.811 -34.350 1.00 0.00 C ATOM 1380 CG GLU A 90 -10.532 -12.241 -34.143 1.00 0.00 C ATOM 1381 CD GLU A 90 -11.580 -13.347 -34.330 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -12.549 -13.390 -33.547 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.432 -14.190 -35.249 1.00 0.00 O ATOM 0 H GLU A 90 -9.034 -10.972 -35.756 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.451 -8.722 -34.513 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.792 -10.587 -33.548 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.651 -10.783 -35.283 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.713 -12.407 -34.843 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.113 -12.316 -33.139 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.895 -9.924 -33.084 1.00 0.00 N ATOM 1391 CA ASP A 91 -7.015 -9.982 -31.880 1.00 0.00 C ATOM 1392 C ASP A 91 -6.726 -8.554 -31.332 1.00 0.00 C ATOM 1393 O ASP A 91 -6.348 -8.402 -30.164 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.686 -10.719 -32.249 1.00 0.00 C ATOM 1395 CG ASP A 91 -4.782 -11.083 -31.047 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -3.988 -10.225 -30.593 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -4.851 -12.243 -30.567 1.00 0.00 O ATOM 0 H ASP A 91 -7.397 -10.101 -33.957 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.524 -10.536 -31.091 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.933 -11.634 -32.788 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.118 -10.090 -32.934 1.00 0.00 H new ATOM 1402 N THR A 92 -6.927 -7.532 -32.209 1.00 0.00 N ATOM 1403 CA THR A 92 -6.700 -6.093 -31.914 1.00 0.00 C ATOM 1404 C THR A 92 -7.349 -5.657 -30.576 1.00 0.00 C ATOM 1405 O THR A 92 -8.584 -5.563 -30.475 1.00 0.00 O ATOM 1406 CB THR A 92 -7.259 -5.203 -33.079 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.627 -5.570 -34.317 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.048 -3.692 -32.835 1.00 0.00 C ATOM 0 H THR A 92 -7.258 -7.691 -33.160 1.00 0.00 H new ATOM 0 HA THR A 92 -5.623 -5.954 -31.824 1.00 0.00 H new ATOM 0 HB THR A 92 -8.333 -5.382 -33.124 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.980 -5.013 -35.042 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.455 -3.128 -33.674 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.558 -3.397 -31.918 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.982 -3.484 -32.741 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.490 -5.388 -29.571 1.00 0.00 N ATOM 1417 CA ALA A 93 -6.917 -5.108 -28.192 1.00 0.00 C ATOM 1418 C ALA A 93 -5.734 -4.658 -27.332 1.00 0.00 C ATOM 1419 O ALA A 93 -4.585 -5.002 -27.615 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.601 -6.343 -27.573 1.00 0.00 C ATOM 0 H ALA A 93 -5.478 -5.360 -29.698 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.641 -4.293 -28.222 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.909 -6.115 -26.553 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.476 -6.609 -28.166 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.902 -7.179 -27.562 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.023 -3.877 -26.275 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.009 -3.464 -25.306 1.00 0.00 C ATOM 1428 C VAL A 94 -4.717 -4.637 -24.350 1.00 0.00 C ATOM 1429 O VAL A 94 -5.604 -5.103 -23.625 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.413 -2.134 -24.528 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -6.680 -2.290 -23.652 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.232 -1.593 -23.700 1.00 0.00 C ATOM 0 H VAL A 94 -6.958 -3.521 -26.076 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.095 -3.212 -25.844 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.665 -1.403 -25.297 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.895 -1.346 -23.152 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.525 -2.569 -24.281 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.513 -3.066 -22.905 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.538 -0.685 -23.180 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.925 -2.343 -22.971 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.396 -1.368 -24.362 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.481 -5.165 -24.421 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.035 -6.276 -23.579 1.00 0.00 C ATOM 1444 C TYR A 95 -2.522 -5.737 -22.245 1.00 0.00 C ATOM 1445 O TYR A 95 -1.478 -5.093 -22.172 1.00 0.00 O ATOM 1446 CB TYR A 95 -1.952 -7.133 -24.306 1.00 0.00 C ATOM 1447 CG TYR A 95 -2.548 -8.220 -25.217 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -2.451 -9.577 -24.881 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.230 -7.894 -26.393 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.005 -10.554 -25.683 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.784 -8.876 -27.196 1.00 0.00 C ATOM 1452 CZ TYR A 95 -3.668 -10.200 -26.838 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.221 -11.180 -27.637 1.00 0.00 O ATOM 0 H TYR A 95 -2.767 -4.828 -25.067 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.882 -6.934 -23.383 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.318 -6.476 -24.902 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.311 -7.604 -23.561 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.933 -9.864 -23.978 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.326 -6.857 -26.680 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.919 -11.594 -25.406 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.306 -8.604 -28.101 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.544 -11.859 -27.838 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.289 -6.038 -21.200 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.027 -5.615 -19.829 1.00 0.00 C ATOM 1465 C ASN A 96 -2.572 -6.830 -19.015 1.00 0.00 C ATOM 1466 O ASN A 96 -3.247 -7.862 -19.006 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.323 -5.002 -19.230 1.00 0.00 C ATOM 1468 CG ASN A 96 -4.204 -4.557 -17.766 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -5.143 -4.699 -16.997 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -3.088 -3.970 -17.383 1.00 0.00 N ATOM 0 H ASN A 96 -4.136 -6.600 -21.288 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.241 -4.860 -19.804 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.615 -4.143 -19.834 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.126 -5.735 -19.309 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.996 -3.624 -16.428 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.317 -3.862 -18.042 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.433 -6.690 -18.333 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.902 -7.720 -17.442 1.00 0.00 C ATOM 1479 C CYS A 97 -1.579 -7.577 -16.072 1.00 0.00 C ATOM 1480 O CYS A 97 -1.504 -6.522 -15.442 1.00 0.00 O ATOM 1481 CB CYS A 97 0.635 -7.585 -17.309 1.00 0.00 C ATOM 1482 SG CYS A 97 1.516 -7.701 -18.878 1.00 0.00 S ATOM 0 H CYS A 97 -0.851 -5.854 -18.385 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.112 -8.707 -17.854 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.867 -6.627 -16.843 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.002 -8.363 -16.639 1.00 0.00 H new ATOM 0 HG CYS A 97 0.850 -8.463 -19.694 1.00 0.00 H new ATOM 1488 N ALA A 98 -2.295 -8.629 -15.666 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.971 -8.706 -14.369 1.00 0.00 C ATOM 1490 C ALA A 98 -2.210 -9.687 -13.466 1.00 0.00 C ATOM 1491 O ALA A 98 -1.939 -10.824 -13.868 1.00 0.00 O ATOM 1492 CB ALA A 98 -4.431 -9.127 -14.568 1.00 0.00 C ATOM 0 H ALA A 98 -2.423 -9.464 -16.238 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.976 -7.730 -13.885 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.929 -9.183 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.939 -8.394 -15.196 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.465 -10.104 -15.050 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.878 -9.244 -12.247 1.00 0.00 N ATOM 1499 CA ALA A 99 -0.987 -9.975 -11.325 1.00 0.00 C ATOM 1500 C ALA A 99 -1.670 -10.242 -9.972 1.00 0.00 C ATOM 1501 O ALA A 99 -2.756 -9.725 -9.687 1.00 0.00 O ATOM 1502 CB ALA A 99 0.326 -9.195 -11.148 1.00 0.00 C ATOM 0 H ALA A 99 -2.221 -8.362 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.760 -10.949 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.982 -9.737 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.817 -9.086 -12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.111 -8.209 -10.737 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.011 -11.080 -9.162 1.00 0.00 N ATOM 1509 CA GLY A 100 -1.526 -11.531 -7.868 1.00 0.00 C ATOM 1510 C GLY A 100 -1.696 -13.048 -7.842 1.00 0.00 C ATOM 1511 O GLY A 100 -1.306 -13.734 -8.794 1.00 0.00 O ATOM 0 H GLY A 100 -0.095 -11.467 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.844 -11.225 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.484 -11.051 -7.667 1.00 0.00 H new ATOM 1664 N ASP A 111 -6.032 -9.416 -8.180 1.00 0.00 N ATOM 1665 CA ASP A 111 -5.506 -8.572 -7.082 1.00 0.00 C ATOM 1666 C ASP A 111 -4.939 -7.262 -7.646 1.00 0.00 C ATOM 1667 O ASP A 111 -5.176 -6.177 -7.100 1.00 0.00 O ATOM 1668 CB ASP A 111 -4.395 -9.310 -6.288 1.00 0.00 C ATOM 1669 CG ASP A 111 -4.869 -10.631 -5.662 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -4.476 -11.709 -6.152 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -5.653 -10.596 -4.688 1.00 0.00 O ATOM 0 HA ASP A 111 -6.333 -8.355 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.556 -9.512 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.025 -8.655 -5.499 1.00 0.00 H new ATOM 1676 N TYR A 112 -4.194 -7.388 -8.755 1.00 0.00 N ATOM 1677 CA TYR A 112 -3.467 -6.275 -9.384 1.00 0.00 C ATOM 1678 C TYR A 112 -3.662 -6.304 -10.908 1.00 0.00 C ATOM 1679 O TYR A 112 -4.027 -7.337 -11.477 1.00 0.00 O ATOM 1680 CB TYR A 112 -1.952 -6.366 -9.061 1.00 0.00 C ATOM 1681 CG TYR A 112 -1.615 -6.412 -7.561 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -1.782 -5.287 -6.743 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -1.112 -7.575 -6.968 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -1.459 -5.324 -5.398 1.00 0.00 C ATOM 1685 CE2 TYR A 112 -0.795 -7.614 -5.626 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.965 -6.492 -4.844 1.00 0.00 C ATOM 1687 OH TYR A 112 -0.626 -6.532 -3.505 1.00 0.00 O ATOM 0 H TYR A 112 -4.078 -8.275 -9.245 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.864 -5.341 -8.986 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.546 -7.258 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.448 -5.509 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.170 -4.374 -7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.969 -8.459 -7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.592 -4.446 -4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.413 -8.524 -5.188 1.00 0.00 H new ATOM 0 HH TYR A 112 0.140 -7.131 -3.379 1.00 0.00 H new ATOM 1697 N TRP A 113 -3.416 -5.151 -11.540 1.00 0.00 N ATOM 1698 CA TRP A 113 -3.390 -4.987 -13.005 1.00 0.00 C ATOM 1699 C TRP A 113 -2.605 -3.707 -13.341 1.00 0.00 C ATOM 1700 O TRP A 113 -2.689 -2.717 -12.601 1.00 0.00 O ATOM 1701 CB TRP A 113 -4.831 -4.953 -13.604 1.00 0.00 C ATOM 1702 CG TRP A 113 -5.764 -3.920 -12.987 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -5.892 -2.601 -13.341 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -6.704 -4.135 -11.917 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -6.835 -1.993 -12.555 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -7.350 -2.910 -11.677 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -7.060 -5.244 -11.139 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -8.328 -2.760 -10.695 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -8.032 -5.096 -10.166 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -8.658 -3.862 -9.949 1.00 0.00 C ATOM 0 H TRP A 113 -3.225 -4.283 -11.039 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.892 -5.845 -13.457 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.758 -4.760 -14.674 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.279 -5.940 -13.488 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -5.331 -2.113 -14.125 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -7.110 -1.013 -12.614 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.583 -6.200 -11.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.809 -1.808 -10.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.313 -5.947 -9.563 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.413 -3.777 -9.181 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.835 -3.734 -14.442 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.999 -2.597 -14.839 1.00 0.00 C ATOM 1723 C GLY A 114 -1.722 -1.627 -15.761 1.00 0.00 C ATOM 1724 O GLY A 114 -2.937 -1.408 -15.627 1.00 0.00 O ATOM 0 H GLY A 114 -1.777 -4.534 -15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.669 -2.065 -13.946 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.104 -2.967 -15.339 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.972 -1.076 -16.722 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.475 -0.102 -17.701 1.00 0.00 C ATOM 1730 C GLN A 115 -2.128 -0.832 -18.896 1.00 0.00 C ATOM 1731 O GLN A 115 -3.364 -0.881 -19.006 1.00 0.00 O ATOM 1732 CB GLN A 115 -0.298 0.810 -18.159 1.00 0.00 C ATOM 1733 CG GLN A 115 0.305 1.673 -17.030 1.00 0.00 C ATOM 1734 CD GLN A 115 1.587 2.401 -17.447 1.00 0.00 C ATOM 1735 OE1 GLN A 115 2.735 1.800 -17.181 1.00 0.00 O flip ATOM 1736 NE2 GLN A 115 1.538 3.504 -17.991 1.00 0.00 N flip ATOM 0 H GLN A 115 0.016 -1.297 -16.844 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.243 0.523 -17.245 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.488 0.185 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.649 1.466 -18.955 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.434 2.407 -16.708 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.519 1.038 -16.170 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.635 3.939 -18.182 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.400 3.983 -18.251 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.286 -1.427 -19.761 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.737 -2.084 -20.991 1.00 0.00 C ATOM 1747 C GLY A 116 -0.908 -1.669 -22.204 1.00 0.00 C ATOM 1748 O GLY A 116 -0.161 -0.681 -22.146 1.00 0.00 O ATOM 0 H GLY A 116 -0.276 -1.463 -19.623 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.678 -3.165 -20.866 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.784 -1.840 -21.168 1.00 0.00 H new ATOM 1752 N THR A 117 -1.037 -2.439 -23.304 1.00 0.00 N ATOM 1753 CA THR A 117 -0.348 -2.173 -24.578 1.00 0.00 C ATOM 1754 C THR A 117 -1.268 -2.540 -25.774 1.00 0.00 C ATOM 1755 O THR A 117 -1.539 -3.719 -26.028 1.00 0.00 O ATOM 1756 CB THR A 117 1.025 -2.934 -24.652 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.647 -2.728 -25.925 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.913 -4.447 -24.361 1.00 0.00 C ATOM 0 H THR A 117 -1.628 -3.270 -23.330 1.00 0.00 H new ATOM 0 HA THR A 117 -0.127 -1.107 -24.635 1.00 0.00 H new ATOM 0 HB THR A 117 1.644 -2.509 -23.862 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.089 -1.854 -25.935 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.900 -4.905 -24.430 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.513 -4.596 -23.358 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.247 -4.909 -25.089 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.772 -1.506 -26.486 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.704 -1.684 -27.616 1.00 0.00 C ATOM 1768 C GLN A 118 -1.995 -2.336 -28.813 1.00 0.00 C ATOM 1769 O GLN A 118 -1.104 -1.731 -29.424 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.342 -0.327 -28.032 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.343 -0.423 -29.215 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.591 -1.273 -28.916 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.068 -1.323 -27.787 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -6.123 -1.956 -29.922 1.00 0.00 N ATOM 0 H GLN A 118 -1.544 -0.531 -26.292 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.503 -2.349 -27.288 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.857 0.097 -27.170 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.546 0.367 -28.301 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.659 0.583 -29.491 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.828 -0.844 -30.079 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.709 -1.899 -30.852 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.946 -2.538 -29.765 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.379 -3.592 -29.107 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.949 -4.309 -30.313 1.00 0.00 C ATOM 1785 C VAL A 119 -2.984 -4.060 -31.421 1.00 0.00 C ATOM 1786 O VAL A 119 -4.187 -3.912 -31.136 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.758 -5.865 -30.051 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.924 -6.106 -28.767 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -3.104 -6.650 -30.016 1.00 0.00 C ATOM 0 H VAL A 119 -3.000 -4.137 -28.509 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.974 -3.931 -30.619 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.205 -6.262 -30.902 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.805 -7.177 -28.606 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.057 -5.645 -28.879 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.437 -5.665 -27.912 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.905 -7.706 -29.834 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.734 -6.256 -29.218 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.616 -6.537 -30.972 1.00 0.00 H new ATOM 1799 N THR A 120 -2.514 -3.969 -32.668 1.00 0.00 N ATOM 1800 CA THR A 120 -3.371 -3.763 -33.842 1.00 0.00 C ATOM 1801 C THR A 120 -2.961 -4.733 -34.949 1.00 0.00 C ATOM 1802 O THR A 120 -1.912 -4.574 -35.570 1.00 0.00 O ATOM 1803 CB THR A 120 -3.294 -2.290 -34.367 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.536 -1.388 -33.279 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.320 -2.021 -35.495 1.00 0.00 C ATOM 0 H THR A 120 -1.522 -4.036 -32.894 1.00 0.00 H new ATOM 0 HA THR A 120 -4.402 -3.953 -33.544 1.00 0.00 H new ATOM 0 HB THR A 120 -2.298 -2.134 -34.781 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.487 -0.464 -33.603 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.231 -0.987 -35.829 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.124 -2.691 -36.332 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.328 -2.195 -35.119 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.778 -5.756 -35.168 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.595 -6.699 -36.270 1.00 0.00 C ATOM 1815 C VAL A 121 -4.538 -6.300 -37.428 1.00 0.00 C ATOM 1816 O VAL A 121 -5.757 -6.498 -37.375 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.791 -8.185 -35.793 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -5.067 -8.340 -34.945 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.753 -9.174 -36.989 1.00 0.00 C ATOM 0 H VAL A 121 -4.590 -5.958 -34.585 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.570 -6.649 -36.637 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.951 -8.441 -35.147 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.172 -9.379 -34.632 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.999 -7.701 -34.065 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.935 -8.050 -35.537 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.891 -10.192 -36.624 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.551 -8.928 -37.690 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.790 -9.098 -37.494 1.00 0.00 H new ATOM 1829 N SER A 122 -3.929 -5.657 -38.435 1.00 0.00 N ATOM 1830 CA SER A 122 -4.566 -5.201 -39.678 1.00 0.00 C ATOM 1831 C SER A 122 -5.237 -6.367 -40.436 1.00 0.00 C ATOM 1832 O SER A 122 -4.704 -7.484 -40.472 1.00 0.00 O ATOM 1833 CB SER A 122 -3.487 -4.539 -40.572 1.00 0.00 C ATOM 1834 OG SER A 122 -2.665 -3.663 -39.816 1.00 0.00 O ATOM 0 H SER A 122 -2.935 -5.431 -38.403 1.00 0.00 H new ATOM 0 HA SER A 122 -5.348 -4.483 -39.429 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.872 -5.310 -41.036 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.968 -3.986 -41.379 1.00 0.00 H new ATOM 0 HG SER A 122 -1.991 -3.259 -40.402 1.00 0.00 H new ATOM 1840 N SER A 123 -6.401 -6.076 -41.027 1.00 0.00 N ATOM 1841 CA SER A 123 -7.185 -7.036 -41.816 1.00 0.00 C ATOM 1842 C SER A 123 -6.432 -7.457 -43.099 1.00 0.00 C ATOM 1843 O SER A 123 -5.659 -6.664 -43.669 1.00 0.00 O ATOM 1844 CB SER A 123 -8.550 -6.403 -42.163 1.00 0.00 C ATOM 1845 OG SER A 123 -9.354 -7.256 -42.958 1.00 0.00 O ATOM 0 H SER A 123 -6.832 -5.153 -40.971 1.00 0.00 H new ATOM 0 HA SER A 123 -7.341 -7.939 -41.225 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.081 -6.163 -41.242 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.388 -5.464 -42.692 1.00 0.00 H new ATOM 0 HG SER A 123 -10.208 -6.815 -43.151 1.00 0.00 H new