USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot 180:sc= -0.872 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.257 X(o=-1.1,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.21) USER MOD Single : A 11 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.3!) USER MOD Single : A 15 THR OG1 : rot -60:sc= 1.22 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.0937 USER MOD Single : A 28 MET CE :methyl 170:sc= 0 (180deg=-0.0877) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 32 MET CE :methyl 178:sc= -0.0631 (180deg=-0.0963) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -130:sc= -0.433 USER MOD Single : A 41 SER OG : rot -137:sc= -0.717 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -11:sc= -1.84 USER MOD Single : A 53 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.365 F(o=-1.4,f=-0.36) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 166:sc= -5.13! (180deg=-5.42!) USER MOD Single : A 75 ASN : amide:sc= -3.13 K(o=-3.1,f=-5.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.122) USER MOD Single : A 83 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -0.379 (180deg=-1.35) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.29) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0261 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.022 6.843 16.779 1.00 0.00 N ATOM 2 CA GLY A 1 8.505 6.752 16.688 1.00 0.00 C ATOM 3 C GLY A 1 9.118 6.059 17.889 1.00 0.00 C ATOM 4 O GLY A 1 9.456 4.876 17.826 1.00 0.00 O ATOM 0 H1 GLY A 1 6.651 7.324 15.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.618 5.886 16.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.759 7.382 17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.778 6.211 15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.923 7.755 16.599 1.00 0.00 H new ATOM 10 N SER A 2 9.262 6.796 18.985 1.00 0.00 N ATOM 11 CA SER A 2 9.838 6.245 20.207 1.00 0.00 C ATOM 12 C SER A 2 8.994 6.620 21.421 1.00 0.00 C ATOM 13 O SER A 2 8.607 5.757 22.209 1.00 0.00 O ATOM 14 CB SER A 2 11.271 6.747 20.391 1.00 0.00 C ATOM 15 OG SER A 2 12.048 5.814 21.121 1.00 0.00 O ATOM 0 H SER A 2 8.988 7.776 19.053 1.00 0.00 H new ATOM 0 HA SER A 2 9.851 5.159 20.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.727 6.921 19.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.260 7.704 20.913 1.00 0.00 H new ATOM 0 HG SER A 2 12.960 6.157 21.224 1.00 0.00 H new ATOM 21 N SER A 3 8.713 7.910 21.564 1.00 0.00 N ATOM 22 CA SER A 3 7.914 8.401 22.681 1.00 0.00 C ATOM 23 C SER A 3 6.497 8.736 22.228 1.00 0.00 C ATOM 24 O SER A 3 6.263 9.032 21.056 1.00 0.00 O ATOM 25 CB SER A 3 8.570 9.636 23.300 1.00 0.00 C ATOM 26 OG SER A 3 8.424 9.638 24.710 1.00 0.00 O ATOM 0 H SER A 3 9.027 8.636 20.920 1.00 0.00 H new ATOM 0 HA SER A 3 7.860 7.613 23.432 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.628 9.658 23.041 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.121 10.538 22.883 1.00 0.00 H new ATOM 0 HG SER A 3 8.853 10.437 25.082 1.00 0.00 H new ATOM 32 N GLY A 4 5.556 8.688 23.165 1.00 0.00 N ATOM 33 CA GLY A 4 4.173 8.989 22.842 1.00 0.00 C ATOM 34 C GLY A 4 3.348 7.739 22.608 1.00 0.00 C ATOM 35 O GLY A 4 3.080 7.368 21.465 1.00 0.00 O ATOM 0 H GLY A 4 5.726 8.446 24.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.731 9.566 23.654 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.139 9.615 21.951 1.00 0.00 H new ATOM 39 N SER A 5 2.944 7.087 23.694 1.00 0.00 N ATOM 40 CA SER A 5 2.146 5.870 23.603 1.00 0.00 C ATOM 41 C SER A 5 0.706 6.129 24.038 1.00 0.00 C ATOM 42 O SER A 5 0.072 5.274 24.656 1.00 0.00 O ATOM 43 CB SER A 5 2.761 4.766 24.464 1.00 0.00 C ATOM 44 OG SER A 5 2.670 3.506 23.820 1.00 0.00 O ATOM 0 H SER A 5 3.156 7.381 24.647 1.00 0.00 H new ATOM 0 HA SER A 5 2.139 5.547 22.562 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.806 4.999 24.668 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.250 4.724 25.426 1.00 0.00 H new ATOM 0 HG SER A 5 3.071 2.817 24.390 1.00 0.00 H new ATOM 50 N SER A 6 0.198 7.313 23.713 1.00 0.00 N ATOM 51 CA SER A 6 -1.166 7.683 24.070 1.00 0.00 C ATOM 52 C SER A 6 -2.076 7.656 22.846 1.00 0.00 C ATOM 53 O SER A 6 -1.669 8.039 21.749 1.00 0.00 O ATOM 54 CB SER A 6 -1.191 9.073 24.708 1.00 0.00 C ATOM 55 OG SER A 6 -0.117 9.869 24.237 1.00 0.00 O ATOM 0 H SER A 6 0.711 8.033 23.203 1.00 0.00 H new ATOM 0 HA SER A 6 -1.535 6.954 24.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.138 9.563 24.482 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.131 8.980 25.792 1.00 0.00 H new ATOM 0 HG SER A 6 -0.156 10.753 24.658 1.00 0.00 H new ATOM 61 N GLY A 7 -3.310 7.203 23.041 1.00 0.00 N ATOM 62 CA GLY A 7 -4.258 7.136 21.945 1.00 0.00 C ATOM 63 C GLY A 7 -5.676 6.877 22.416 1.00 0.00 C ATOM 64 O GLY A 7 -5.965 6.963 23.610 1.00 0.00 O ATOM 0 H GLY A 7 -3.670 6.881 23.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.230 8.072 21.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.957 6.346 21.257 1.00 0.00 H new ATOM 68 N LEU A 8 -6.560 6.558 21.478 1.00 0.00 N ATOM 69 CA LEU A 8 -7.956 6.285 21.802 1.00 0.00 C ATOM 70 C LEU A 8 -8.609 7.498 22.456 1.00 0.00 C ATOM 71 O LEU A 8 -9.338 7.369 23.441 1.00 0.00 O ATOM 72 CB LEU A 8 -8.057 5.072 22.728 1.00 0.00 C ATOM 73 CG LEU A 8 -7.746 3.726 22.068 1.00 0.00 C ATOM 74 CD1 LEU A 8 -6.345 3.260 22.435 1.00 0.00 C ATOM 75 CD2 LEU A 8 -8.779 2.682 22.470 1.00 0.00 C ATOM 0 H LEU A 8 -6.335 6.482 20.486 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.485 6.069 20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.374 5.215 23.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.065 5.033 23.142 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.791 3.856 20.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.143 2.302 21.956 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.616 3.996 22.096 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.271 3.148 23.517 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.542 1.732 21.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.767 2.556 23.553 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.769 3.010 22.154 1.00 0.00 H new ATOM 87 N GLN A 9 -8.344 8.677 21.903 1.00 0.00 N ATOM 88 CA GLN A 9 -8.907 9.914 22.433 1.00 0.00 C ATOM 89 C GLN A 9 -9.194 10.906 21.311 1.00 0.00 C ATOM 90 O GLN A 9 -10.297 11.441 21.209 1.00 0.00 O ATOM 91 CB GLN A 9 -7.952 10.538 23.451 1.00 0.00 C ATOM 92 CG GLN A 9 -8.656 11.336 24.537 1.00 0.00 C ATOM 93 CD GLN A 9 -8.450 10.750 25.920 1.00 0.00 C ATOM 94 OE1 GLN A 9 -9.291 10.005 26.424 1.00 0.00 O ATOM 95 NE2 GLN A 9 -7.326 11.086 26.543 1.00 0.00 N ATOM 0 H GLN A 9 -7.743 8.802 21.088 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.847 9.673 22.929 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.363 9.747 23.917 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.253 11.190 22.928 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.289 12.362 24.523 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.723 11.376 24.319 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.657 11.706 26.088 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.132 10.723 27.477 1.00 0.00 H new ATOM 104 N GLN A 10 -8.192 11.149 20.472 1.00 0.00 N ATOM 105 CA GLN A 10 -8.337 12.077 19.356 1.00 0.00 C ATOM 106 C GLN A 10 -7.916 11.422 18.045 1.00 0.00 C ATOM 107 O GLN A 10 -7.270 10.374 18.042 1.00 0.00 O ATOM 108 CB GLN A 10 -7.503 13.337 19.602 1.00 0.00 C ATOM 109 CG GLN A 10 -6.029 13.053 19.842 1.00 0.00 C ATOM 110 CD GLN A 10 -5.179 13.315 18.615 1.00 0.00 C ATOM 111 OE1 GLN A 10 -4.399 12.462 18.191 1.00 0.00 O ATOM 112 NE2 GLN A 10 -5.324 14.502 18.036 1.00 0.00 N ATOM 0 H GLN A 10 -7.271 10.716 20.544 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.388 12.354 19.281 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.601 14.001 18.743 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.907 13.868 20.464 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.673 13.672 20.665 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.908 12.014 20.149 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.982 15.180 18.420 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.777 14.735 17.207 1.00 0.00 H new ATOM 121 N GLN A 11 -8.286 12.048 16.932 1.00 0.00 N ATOM 122 CA GLN A 11 -7.947 11.525 15.613 1.00 0.00 C ATOM 123 C GLN A 11 -6.639 12.128 15.110 1.00 0.00 C ATOM 124 O GLN A 11 -6.192 13.164 15.601 1.00 0.00 O ATOM 125 CB GLN A 11 -9.076 11.816 14.621 1.00 0.00 C ATOM 126 CG GLN A 11 -9.589 10.578 13.903 1.00 0.00 C ATOM 127 CD GLN A 11 -9.272 10.589 12.419 1.00 0.00 C ATOM 128 OE1 GLN A 11 -9.005 11.640 11.837 1.00 0.00 O ATOM 129 NE2 GLN A 11 -9.300 9.415 11.800 1.00 0.00 N ATOM 0 H GLN A 11 -8.820 12.917 16.917 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.818 10.446 15.697 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.903 12.287 15.153 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.722 12.534 13.881 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.149 9.691 14.358 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.668 10.505 14.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.526 8.568 12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.095 9.359 10.802 1.00 0.00 H new ATOM 138 N GLU A 12 -6.029 11.471 14.129 1.00 0.00 N ATOM 139 CA GLU A 12 -4.773 11.942 13.559 1.00 0.00 C ATOM 140 C GLU A 12 -4.520 11.305 12.196 1.00 0.00 C ATOM 141 O GLU A 12 -4.224 10.113 12.102 1.00 0.00 O ATOM 142 CB GLU A 12 -3.611 11.629 14.505 1.00 0.00 C ATOM 143 CG GLU A 12 -2.379 12.484 14.258 1.00 0.00 C ATOM 144 CD GLU A 12 -1.288 12.243 15.283 1.00 0.00 C ATOM 145 OE1 GLU A 12 -1.606 12.204 16.490 1.00 0.00 O ATOM 146 OE2 GLU A 12 -0.116 12.093 14.878 1.00 0.00 O ATOM 0 H GLU A 12 -6.385 10.611 13.712 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.845 13.022 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.942 11.772 15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.341 10.578 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.989 12.274 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.662 13.536 14.275 1.00 0.00 H new ATOM 153 N GLU A 13 -4.640 12.106 11.143 1.00 0.00 N ATOM 154 CA GLU A 13 -4.425 11.621 9.785 1.00 0.00 C ATOM 155 C GLU A 13 -2.984 11.858 9.344 1.00 0.00 C ATOM 156 O GLU A 13 -2.270 12.668 9.934 1.00 0.00 O ATOM 157 CB GLU A 13 -5.387 12.310 8.816 1.00 0.00 C ATOM 158 CG GLU A 13 -5.918 11.391 7.728 1.00 0.00 C ATOM 159 CD GLU A 13 -6.796 12.118 6.728 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.253 12.635 5.729 1.00 0.00 O ATOM 161 OE2 GLU A 13 -8.024 12.170 6.943 1.00 0.00 O ATOM 0 H GLU A 13 -4.885 13.094 11.204 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.617 10.548 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.227 12.716 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.878 13.154 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.080 10.932 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.488 10.583 8.186 1.00 0.00 H new ATOM 168 N GLU A 14 -2.564 11.146 8.303 1.00 0.00 N ATOM 169 CA GLU A 14 -1.209 11.280 7.782 1.00 0.00 C ATOM 170 C GLU A 14 -1.144 12.352 6.700 1.00 0.00 C ATOM 171 O GLU A 14 -2.142 13.009 6.403 1.00 0.00 O ATOM 172 CB GLU A 14 -0.721 9.942 7.221 1.00 0.00 C ATOM 173 CG GLU A 14 -0.799 8.799 8.221 1.00 0.00 C ATOM 174 CD GLU A 14 -1.954 7.858 7.940 1.00 0.00 C ATOM 175 OE1 GLU A 14 -2.080 7.399 6.785 1.00 0.00 O ATOM 176 OE2 GLU A 14 -2.733 7.579 8.876 1.00 0.00 O ATOM 0 H GLU A 14 -3.143 10.470 7.804 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.559 11.581 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.315 9.687 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.311 10.052 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.135 8.238 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.904 9.207 9.226 1.00 0.00 H new ATOM 183 N THR A 15 0.036 12.525 6.114 1.00 0.00 N ATOM 184 CA THR A 15 0.230 13.518 5.064 1.00 0.00 C ATOM 185 C THR A 15 1.503 13.233 4.272 1.00 0.00 C ATOM 186 O THR A 15 2.219 14.152 3.877 1.00 0.00 O ATOM 187 CB THR A 15 0.296 14.921 5.668 1.00 0.00 C ATOM 188 OG1 THR A 15 0.586 15.884 4.670 1.00 0.00 O ATOM 189 CG2 THR A 15 1.341 15.057 6.754 1.00 0.00 C ATOM 0 H THR A 15 0.872 11.990 6.348 1.00 0.00 H new ATOM 0 HA THR A 15 -0.620 13.461 4.383 1.00 0.00 H new ATOM 0 HB THR A 15 -0.686 15.092 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.451 15.678 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.335 16.077 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.117 14.362 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.325 14.831 6.343 1.00 0.00 H new ATOM 197 N TYR A 16 1.776 11.952 4.042 1.00 0.00 N ATOM 198 CA TYR A 16 2.962 11.546 3.297 1.00 0.00 C ATOM 199 C TYR A 16 2.840 11.937 1.827 1.00 0.00 C ATOM 200 O TYR A 16 2.454 11.123 0.988 1.00 0.00 O ATOM 201 CB TYR A 16 3.176 10.037 3.420 1.00 0.00 C ATOM 202 CG TYR A 16 3.675 9.605 4.781 1.00 0.00 C ATOM 203 CD1 TYR A 16 2.786 9.343 5.817 1.00 0.00 C ATOM 204 CD2 TYR A 16 5.034 9.461 5.030 1.00 0.00 C ATOM 205 CE1 TYR A 16 3.239 8.948 7.061 1.00 0.00 C ATOM 206 CE2 TYR A 16 5.494 9.067 6.272 1.00 0.00 C ATOM 207 CZ TYR A 16 4.593 8.812 7.284 1.00 0.00 C ATOM 208 OH TYR A 16 5.046 8.420 8.523 1.00 0.00 O ATOM 0 H TYR A 16 1.192 11.179 4.361 1.00 0.00 H new ATOM 0 HA TYR A 16 3.823 12.063 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.236 9.527 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.891 9.717 2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.725 9.450 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.743 9.660 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.536 8.747 7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.554 8.959 6.449 1.00 0.00 H new ATOM 0 HH TYR A 16 6.025 8.371 8.513 1.00 0.00 H new ATOM 218 N ALA A 17 3.172 13.187 1.524 1.00 0.00 N ATOM 219 CA ALA A 17 3.100 13.688 0.156 1.00 0.00 C ATOM 220 C ALA A 17 4.283 13.203 -0.676 1.00 0.00 C ATOM 221 O ALA A 17 4.209 13.151 -1.903 1.00 0.00 O ATOM 222 CB ALA A 17 3.041 15.209 0.155 1.00 0.00 C ATOM 0 H ALA A 17 3.494 13.872 2.207 1.00 0.00 H new ATOM 0 HA ALA A 17 2.189 13.297 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.988 15.570 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.158 15.539 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.935 15.608 0.634 1.00 0.00 H new ATOM 228 N ASP A 18 5.375 12.850 -0.003 1.00 0.00 N ATOM 229 CA ASP A 18 6.571 12.371 -0.686 1.00 0.00 C ATOM 230 C ASP A 18 6.616 10.847 -0.710 1.00 0.00 C ATOM 231 O ASP A 18 7.691 10.248 -0.686 1.00 0.00 O ATOM 232 CB ASP A 18 7.826 12.918 -0.004 1.00 0.00 C ATOM 233 CG ASP A 18 7.972 14.417 -0.178 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.446 14.847 -1.251 1.00 0.00 O ATOM 235 OD2 ASP A 18 7.614 15.162 0.758 1.00 0.00 O ATOM 0 H ASP A 18 5.455 12.887 1.013 1.00 0.00 H new ATOM 0 HA ASP A 18 6.537 12.730 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.791 12.680 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.705 12.420 -0.414 1.00 0.00 H new ATOM 240 N ALA A 19 5.443 10.224 -0.757 1.00 0.00 N ATOM 241 CA ALA A 19 5.349 8.769 -0.785 1.00 0.00 C ATOM 242 C ALA A 19 4.962 8.271 -2.173 1.00 0.00 C ATOM 243 O ALA A 19 4.395 9.014 -2.974 1.00 0.00 O ATOM 244 CB ALA A 19 4.347 8.286 0.252 1.00 0.00 C ATOM 0 H ALA A 19 4.544 10.705 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 19 6.330 8.360 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.287 7.198 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.669 8.603 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.367 8.710 0.036 1.00 0.00 H new ATOM 250 N CYS A 20 5.271 7.009 -2.451 1.00 0.00 N ATOM 251 CA CYS A 20 4.953 6.412 -3.743 1.00 0.00 C ATOM 252 C CYS A 20 3.541 5.834 -3.744 1.00 0.00 C ATOM 253 O CYS A 20 2.989 5.517 -2.690 1.00 0.00 O ATOM 254 CB CYS A 20 5.965 5.316 -4.085 1.00 0.00 C ATOM 255 SG CYS A 20 5.972 4.836 -5.828 1.00 0.00 S ATOM 0 H CYS A 20 5.741 6.380 -1.800 1.00 0.00 H new ATOM 0 HA CYS A 20 5.006 7.195 -4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.962 5.659 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.751 4.436 -3.478 1.00 0.00 H new ATOM 0 HG CYS A 20 6.861 3.907 -6.019 1.00 0.00 H new ATOM 261 N ASP A 21 2.963 5.702 -4.933 1.00 0.00 N ATOM 262 CA ASP A 21 1.615 5.161 -5.071 1.00 0.00 C ATOM 263 C ASP A 21 1.537 3.743 -4.515 1.00 0.00 C ATOM 264 O ASP A 21 0.496 3.320 -4.011 1.00 0.00 O ATOM 265 CB ASP A 21 1.187 5.170 -6.540 1.00 0.00 C ATOM 266 CG ASP A 21 0.877 6.567 -7.044 1.00 0.00 C ATOM 267 OD1 ASP A 21 -0.100 7.170 -6.555 1.00 0.00 O ATOM 268 OD2 ASP A 21 1.613 7.055 -7.927 1.00 0.00 O ATOM 0 H ASP A 21 3.406 5.962 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 21 0.937 5.794 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.979 4.735 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.307 4.539 -6.663 1.00 0.00 H new ATOM 273 N GLU A 22 2.644 3.014 -4.611 1.00 0.00 N ATOM 274 CA GLU A 22 2.700 1.643 -4.117 1.00 0.00 C ATOM 275 C GLU A 22 2.408 1.592 -2.620 1.00 0.00 C ATOM 276 O GLU A 22 1.848 0.616 -2.119 1.00 0.00 O ATOM 277 CB GLU A 22 4.073 1.032 -4.403 1.00 0.00 C ATOM 278 CG GLU A 22 4.007 -0.386 -4.947 1.00 0.00 C ATOM 279 CD GLU A 22 4.999 -0.629 -6.066 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.003 0.157 -7.038 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.773 -1.605 -5.973 1.00 0.00 O ATOM 0 H GLU A 22 3.513 3.349 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 22 1.937 1.064 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.600 1.663 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.660 1.033 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.198 -1.091 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.999 -0.585 -5.311 1.00 0.00 H new ATOM 288 N PHE A 23 2.789 2.649 -1.912 1.00 0.00 N ATOM 289 CA PHE A 23 2.568 2.726 -0.472 1.00 0.00 C ATOM 290 C PHE A 23 1.228 3.385 -0.161 1.00 0.00 C ATOM 291 O PHE A 23 0.588 3.073 0.842 1.00 0.00 O ATOM 292 CB PHE A 23 3.700 3.506 0.199 1.00 0.00 C ATOM 293 CG PHE A 23 5.067 2.962 -0.103 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.314 1.600 -0.046 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.105 3.814 -0.446 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.570 1.097 -0.325 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.364 3.316 -0.725 1.00 0.00 C ATOM 298 CZ PHE A 23 7.598 1.956 -0.664 1.00 0.00 C ATOM 0 H PHE A 23 3.253 3.465 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 23 2.553 1.710 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.653 4.546 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.545 3.498 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.515 0.923 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.928 4.878 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.748 0.033 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.165 3.990 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.581 1.565 -0.881 1.00 0.00 H new ATOM 308 N LEU A 24 0.810 4.300 -1.030 1.00 0.00 N ATOM 309 CA LEU A 24 -0.454 5.005 -0.849 1.00 0.00 C ATOM 310 C LEU A 24 -1.637 4.068 -1.063 1.00 0.00 C ATOM 311 O LEU A 24 -1.666 3.297 -2.024 1.00 0.00 O ATOM 312 CB LEU A 24 -0.543 6.189 -1.814 1.00 0.00 C ATOM 313 CG LEU A 24 0.452 7.319 -1.549 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.483 8.288 -2.721 1.00 0.00 C ATOM 315 CD2 LEU A 24 0.100 8.047 -0.261 1.00 0.00 C ATOM 0 H LEU A 24 1.328 4.570 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.491 5.376 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.390 5.822 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.553 6.598 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 24 1.446 6.885 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.197 9.086 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.783 7.757 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.509 8.717 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.819 8.848 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.901 8.469 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.130 7.346 0.573 1.00 0.00 H new ATOM 327 N ASP A 25 -2.614 4.141 -0.166 1.00 0.00 N ATOM 328 CA ASP A 25 -3.802 3.301 -0.257 1.00 0.00 C ATOM 329 C ASP A 25 -4.681 3.731 -1.430 1.00 0.00 C ATOM 330 O ASP A 25 -4.817 4.922 -1.707 1.00 0.00 O ATOM 331 CB ASP A 25 -4.601 3.370 1.047 1.00 0.00 C ATOM 332 CG ASP A 25 -5.148 2.020 1.466 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.428 1.279 2.166 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.297 1.704 1.093 1.00 0.00 O ATOM 0 H ASP A 25 -2.606 4.774 0.634 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.480 2.273 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.963 3.762 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.427 4.071 0.926 1.00 0.00 H new ATOM 339 N PRO A 26 -5.294 2.766 -2.139 1.00 0.00 N ATOM 340 CA PRO A 26 -6.160 3.061 -3.284 1.00 0.00 C ATOM 341 C PRO A 26 -7.425 3.808 -2.877 1.00 0.00 C ATOM 342 O PRO A 26 -8.004 4.548 -3.673 1.00 0.00 O ATOM 343 CB PRO A 26 -6.513 1.677 -3.837 1.00 0.00 C ATOM 344 CG PRO A 26 -6.318 0.745 -2.692 1.00 0.00 C ATOM 345 CD PRO A 26 -5.190 1.318 -1.882 1.00 0.00 C ATOM 0 HA PRO A 26 -5.666 3.709 -4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.540 1.647 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.870 1.411 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.226 0.665 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.077 -0.259 -3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.298 1.088 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.225 0.921 -2.198 1.00 0.00 H new ATOM 353 N ILE A 27 -7.851 3.610 -1.634 1.00 0.00 N ATOM 354 CA ILE A 27 -9.048 4.265 -1.124 1.00 0.00 C ATOM 355 C ILE A 27 -8.692 5.386 -0.152 1.00 0.00 C ATOM 356 O ILE A 27 -9.100 6.533 -0.336 1.00 0.00 O ATOM 357 CB ILE A 27 -9.977 3.263 -0.412 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.192 2.025 -1.284 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.308 3.920 -0.078 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.002 0.942 -0.606 1.00 0.00 C ATOM 0 H ILE A 27 -7.384 3.001 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.568 4.685 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.504 2.951 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.695 2.322 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.222 1.618 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.953 3.200 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.138 4.774 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.788 4.258 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.115 0.095 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.490 0.618 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.986 1.332 -0.346 1.00 0.00 H new ATOM 372 N MET A 28 -7.930 5.046 0.882 1.00 0.00 N ATOM 373 CA MET A 28 -7.520 6.024 1.884 1.00 0.00 C ATOM 374 C MET A 28 -6.595 7.074 1.278 1.00 0.00 C ATOM 375 O MET A 28 -6.550 8.215 1.738 1.00 0.00 O ATOM 376 CB MET A 28 -6.824 5.326 3.052 1.00 0.00 C ATOM 377 CG MET A 28 -7.783 4.813 4.115 1.00 0.00 C ATOM 378 SD MET A 28 -8.071 6.014 5.428 1.00 0.00 S ATOM 379 CE MET A 28 -9.716 6.584 5.010 1.00 0.00 C ATOM 0 H MET A 28 -7.584 4.101 1.048 1.00 0.00 H new ATOM 0 HA MET A 28 -8.415 6.527 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.239 4.490 2.668 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.122 6.021 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.734 4.556 3.648 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.383 3.896 4.548 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.107 7.196 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.674 7.178 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.370 5.726 4.855 1.00 0.00 H new ATOM 389 N SER A 29 -5.855 6.682 0.244 1.00 0.00 N ATOM 390 CA SER A 29 -4.930 7.595 -0.420 1.00 0.00 C ATOM 391 C SER A 29 -3.869 8.098 0.553 1.00 0.00 C ATOM 392 O SER A 29 -3.380 9.221 0.427 1.00 0.00 O ATOM 393 CB SER A 29 -5.692 8.779 -1.019 1.00 0.00 C ATOM 394 OG SER A 29 -6.231 8.449 -2.288 1.00 0.00 O ATOM 0 H SER A 29 -5.878 5.742 -0.151 1.00 0.00 H new ATOM 0 HA SER A 29 -4.432 7.049 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.495 9.077 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.023 9.634 -1.116 1.00 0.00 H new ATOM 0 HG SER A 29 -6.715 9.221 -2.649 1.00 0.00 H new ATOM 400 N THR A 30 -3.516 7.261 1.523 1.00 0.00 N ATOM 401 CA THR A 30 -2.513 7.621 2.517 1.00 0.00 C ATOM 402 C THR A 30 -1.477 6.512 2.672 1.00 0.00 C ATOM 403 O THR A 30 -1.619 5.432 2.099 1.00 0.00 O ATOM 404 CB THR A 30 -3.178 7.905 3.865 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.024 6.834 4.241 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.009 9.170 3.866 1.00 0.00 C ATOM 0 H THR A 30 -3.911 6.328 1.641 1.00 0.00 H new ATOM 0 HA THR A 30 -2.006 8.522 2.173 1.00 0.00 H new ATOM 0 HB THR A 30 -2.358 8.027 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.439 7.033 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.453 9.313 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.374 10.023 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.800 9.086 3.121 1.00 0.00 H new ATOM 414 N LEU A 31 -0.437 6.787 3.452 1.00 0.00 N ATOM 415 CA LEU A 31 0.624 5.812 3.684 1.00 0.00 C ATOM 416 C LEU A 31 0.065 4.536 4.304 1.00 0.00 C ATOM 417 O LEU A 31 -0.739 4.587 5.236 1.00 0.00 O ATOM 418 CB LEU A 31 1.701 6.407 4.593 1.00 0.00 C ATOM 419 CG LEU A 31 2.993 5.594 4.687 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.836 5.786 3.435 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.780 5.987 5.928 1.00 0.00 C ATOM 0 H LEU A 31 -0.306 7.676 3.934 1.00 0.00 H new ATOM 0 HA LEU A 31 1.069 5.560 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.945 7.407 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.287 6.519 5.595 1.00 0.00 H new ATOM 0 HG LEU A 31 2.732 4.539 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.751 5.200 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.272 5.455 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.089 6.841 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.696 5.399 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.031 7.047 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.177 5.798 6.816 1.00 0.00 H new ATOM 433 N MET A 32 0.494 3.392 3.782 1.00 0.00 N ATOM 434 CA MET A 32 0.036 2.102 4.284 1.00 0.00 C ATOM 435 C MET A 32 1.057 1.496 5.242 1.00 0.00 C ATOM 436 O MET A 32 2.211 1.274 4.876 1.00 0.00 O ATOM 437 CB MET A 32 -0.222 1.141 3.122 1.00 0.00 C ATOM 438 CG MET A 32 -1.481 1.463 2.333 1.00 0.00 C ATOM 439 SD MET A 32 -1.919 0.162 1.164 1.00 0.00 S ATOM 440 CE MET A 32 -0.646 0.380 -0.077 1.00 0.00 C ATOM 0 H MET A 32 1.159 3.332 3.011 1.00 0.00 H new ATOM 0 HA MET A 32 -0.895 2.263 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.634 1.161 2.448 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.297 0.126 3.511 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.309 1.618 3.025 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.337 2.399 1.793 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.761 -0.377 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.737 1.371 -0.521 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.335 0.279 0.387 1.00 0.00 H new ATOM 450 N CYS A 33 0.624 1.230 6.470 1.00 0.00 N ATOM 451 CA CYS A 33 1.500 0.649 7.480 1.00 0.00 C ATOM 452 C CYS A 33 1.439 -0.874 7.440 1.00 0.00 C ATOM 453 O CYS A 33 2.426 -1.552 7.727 1.00 0.00 O ATOM 454 CB CYS A 33 1.110 1.150 8.872 1.00 0.00 C ATOM 455 SG CYS A 33 2.517 1.451 9.969 1.00 0.00 S ATOM 0 H CYS A 33 -0.328 1.408 6.789 1.00 0.00 H new ATOM 0 HA CYS A 33 2.522 0.960 7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.540 2.073 8.768 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.450 0.419 9.338 1.00 0.00 H new ATOM 0 HG CYS A 33 2.087 1.874 11.121 1.00 0.00 H new ATOM 461 N ASP A 34 0.275 -1.406 7.083 1.00 0.00 N ATOM 462 CA ASP A 34 0.085 -2.849 7.005 1.00 0.00 C ATOM 463 C ASP A 34 -0.907 -3.208 5.901 1.00 0.00 C ATOM 464 O ASP A 34 -2.081 -3.466 6.169 1.00 0.00 O ATOM 465 CB ASP A 34 -0.409 -3.394 8.347 1.00 0.00 C ATOM 466 CG ASP A 34 0.726 -3.878 9.227 1.00 0.00 C ATOM 467 OD1 ASP A 34 1.352 -4.901 8.878 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.987 -3.237 10.266 1.00 0.00 O ATOM 0 H ASP A 34 -0.552 -0.859 6.843 1.00 0.00 H new ATOM 0 HA ASP A 34 1.047 -3.304 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.964 -2.615 8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.103 -4.215 8.169 1.00 0.00 H new ATOM 473 N PRO A 35 -0.445 -3.228 4.638 1.00 0.00 N ATOM 474 CA PRO A 35 -1.299 -3.556 3.491 1.00 0.00 C ATOM 475 C PRO A 35 -1.713 -5.023 3.479 1.00 0.00 C ATOM 476 O PRO A 35 -0.887 -5.914 3.676 1.00 0.00 O ATOM 477 CB PRO A 35 -0.411 -3.241 2.285 1.00 0.00 C ATOM 478 CG PRO A 35 0.983 -3.373 2.794 1.00 0.00 C ATOM 479 CD PRO A 35 0.941 -2.932 4.232 1.00 0.00 C ATOM 0 HA PRO A 35 -2.234 -2.996 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.599 -3.932 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.600 -2.237 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.333 -4.402 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.670 -2.755 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.663 -3.476 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.172 -1.872 4.334 1.00 0.00 H new ATOM 487 N VAL A 36 -2.998 -5.267 3.246 1.00 0.00 N ATOM 488 CA VAL A 36 -3.525 -6.626 3.207 1.00 0.00 C ATOM 489 C VAL A 36 -3.992 -6.994 1.802 1.00 0.00 C ATOM 490 O VAL A 36 -4.697 -6.223 1.150 1.00 0.00 O ATOM 491 CB VAL A 36 -4.699 -6.803 4.188 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.192 -6.863 5.621 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.710 -5.679 4.019 1.00 0.00 C ATOM 0 H VAL A 36 -3.695 -4.540 3.081 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.712 -7.289 3.503 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.198 -7.746 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.035 -6.988 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.509 -7.706 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.668 -5.938 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.532 -5.821 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.226 -4.722 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.097 -5.688 3.000 1.00 0.00 H new ATOM 503 N VAL A 37 -3.594 -8.176 1.342 1.00 0.00 N ATOM 504 CA VAL A 37 -3.972 -8.645 0.014 1.00 0.00 C ATOM 505 C VAL A 37 -5.363 -9.269 0.026 1.00 0.00 C ATOM 506 O VAL A 37 -5.641 -10.173 0.814 1.00 0.00 O ATOM 507 CB VAL A 37 -2.964 -9.676 -0.526 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.259 -10.002 -1.982 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.540 -9.167 -0.364 1.00 0.00 C ATOM 0 H VAL A 37 -3.010 -8.826 1.869 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.974 -7.773 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.066 -10.593 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.536 -10.732 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.264 -10.414 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.188 -9.093 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.842 -9.909 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.422 -8.235 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.334 -8.992 0.692 1.00 0.00 H new ATOM 519 N LEU A 38 -6.232 -8.782 -0.853 1.00 0.00 N ATOM 520 CA LEU A 38 -7.595 -9.294 -0.945 1.00 0.00 C ATOM 521 C LEU A 38 -7.666 -10.476 -1.913 1.00 0.00 C ATOM 522 O LEU A 38 -7.330 -10.342 -3.088 1.00 0.00 O ATOM 523 CB LEU A 38 -8.547 -8.187 -1.404 1.00 0.00 C ATOM 524 CG LEU A 38 -8.411 -6.863 -0.649 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.170 -5.759 -1.367 1.00 0.00 C ATOM 526 CD2 LEU A 38 -8.909 -7.013 0.781 1.00 0.00 C ATOM 0 H LEU A 38 -6.017 -8.034 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.897 -9.637 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.380 -8.002 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.572 -8.544 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.356 -6.589 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.062 -4.825 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.768 -5.635 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.226 -6.024 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.805 -6.062 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.958 -7.310 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.321 -7.775 1.293 1.00 0.00 H new ATOM 538 N PRO A 39 -8.104 -11.655 -1.433 1.00 0.00 N ATOM 539 CA PRO A 39 -8.209 -12.854 -2.269 1.00 0.00 C ATOM 540 C PRO A 39 -9.430 -12.833 -3.190 1.00 0.00 C ATOM 541 O PRO A 39 -9.663 -13.780 -3.940 1.00 0.00 O ATOM 542 CB PRO A 39 -8.338 -13.979 -1.242 1.00 0.00 C ATOM 543 CG PRO A 39 -9.006 -13.341 -0.074 1.00 0.00 C ATOM 544 CD PRO A 39 -8.524 -11.915 -0.040 1.00 0.00 C ATOM 0 HA PRO A 39 -7.357 -12.955 -2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.928 -14.808 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.363 -14.382 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.090 -13.383 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.752 -13.860 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.314 -11.233 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.697 -11.788 0.658 1.00 0.00 H new ATOM 552 N SER A 40 -10.206 -11.754 -3.130 1.00 0.00 N ATOM 553 CA SER A 40 -11.399 -11.628 -3.960 1.00 0.00 C ATOM 554 C SER A 40 -11.198 -10.591 -5.062 1.00 0.00 C ATOM 555 O SER A 40 -11.412 -10.875 -6.240 1.00 0.00 O ATOM 556 CB SER A 40 -12.605 -11.247 -3.101 1.00 0.00 C ATOM 557 OG SER A 40 -13.686 -10.805 -3.905 1.00 0.00 O ATOM 0 H SER A 40 -10.031 -10.957 -2.518 1.00 0.00 H new ATOM 0 HA SER A 40 -11.583 -12.594 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.917 -12.105 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.323 -10.460 -2.401 1.00 0.00 H new ATOM 0 HG SER A 40 -14.024 -9.952 -3.559 1.00 0.00 H new ATOM 563 N SER A 41 -10.793 -9.387 -4.672 1.00 0.00 N ATOM 564 CA SER A 41 -10.572 -8.308 -5.629 1.00 0.00 C ATOM 565 C SER A 41 -9.100 -8.200 -6.023 1.00 0.00 C ATOM 566 O SER A 41 -8.767 -7.592 -7.041 1.00 0.00 O ATOM 567 CB SER A 41 -11.050 -6.978 -5.044 1.00 0.00 C ATOM 568 OG SER A 41 -10.145 -6.495 -4.067 1.00 0.00 O ATOM 0 H SER A 41 -10.611 -9.134 -3.701 1.00 0.00 H new ATOM 0 HA SER A 41 -11.146 -8.539 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.155 -6.243 -5.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.036 -7.107 -4.598 1.00 0.00 H new ATOM 0 HG SER A 41 -10.646 -6.159 -3.295 1.00 0.00 H new ATOM 574 N ARG A 42 -8.221 -8.789 -5.216 1.00 0.00 N ATOM 575 CA ARG A 42 -6.788 -8.749 -5.491 1.00 0.00 C ATOM 576 C ARG A 42 -6.274 -7.313 -5.479 1.00 0.00 C ATOM 577 O ARG A 42 -5.346 -6.970 -6.211 1.00 0.00 O ATOM 578 CB ARG A 42 -6.485 -9.402 -6.841 1.00 0.00 C ATOM 579 CG ARG A 42 -6.779 -10.894 -6.875 1.00 0.00 C ATOM 580 CD ARG A 42 -7.976 -11.210 -7.758 1.00 0.00 C ATOM 581 NE ARG A 42 -8.856 -12.206 -7.152 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.575 -13.505 -7.089 1.00 0.00 C ATOM 583 NH1 ARG A 42 -7.437 -13.970 -7.592 1.00 0.00 N ATOM 584 NH2 ARG A 42 -9.431 -14.341 -6.520 1.00 0.00 N ATOM 0 H ARG A 42 -8.475 -9.298 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.277 -9.306 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.072 -8.907 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.435 -9.241 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.904 -11.429 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.969 -11.251 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.539 -10.296 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.627 -11.574 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.739 -11.887 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.774 -13.330 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.226 -14.967 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.305 -13.989 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.216 -15.337 -6.472 1.00 0.00 H new ATOM 598 N VAL A 43 -6.884 -6.480 -4.643 1.00 0.00 N ATOM 599 CA VAL A 43 -6.488 -5.082 -4.532 1.00 0.00 C ATOM 600 C VAL A 43 -5.812 -4.806 -3.193 1.00 0.00 C ATOM 601 O VAL A 43 -6.426 -4.951 -2.136 1.00 0.00 O ATOM 602 CB VAL A 43 -7.698 -4.141 -4.685 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.244 -2.693 -4.766 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.516 -4.521 -5.911 1.00 0.00 C ATOM 0 H VAL A 43 -7.655 -6.749 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.782 -4.889 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.332 -4.248 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.113 -2.045 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.705 -2.429 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.587 -2.565 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.367 -3.846 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.893 -4.444 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.875 -5.545 -5.806 1.00 0.00 H new ATOM 614 N THR A 44 -4.544 -4.411 -3.245 1.00 0.00 N ATOM 615 CA THR A 44 -3.786 -4.118 -2.035 1.00 0.00 C ATOM 616 C THR A 44 -4.391 -2.937 -1.284 1.00 0.00 C ATOM 617 O THR A 44 -4.388 -1.808 -1.775 1.00 0.00 O ATOM 618 CB THR A 44 -2.327 -3.821 -2.383 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.978 -4.405 -3.626 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.349 -4.331 -1.346 1.00 0.00 C ATOM 0 H THR A 44 -4.021 -4.287 -4.112 1.00 0.00 H new ATOM 0 HA THR A 44 -3.829 -4.995 -1.389 1.00 0.00 H new ATOM 0 HB THR A 44 -2.256 -2.734 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.041 -4.202 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.332 -4.087 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.559 -3.861 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.450 -5.412 -1.251 1.00 0.00 H new ATOM 628 N VAL A 45 -4.908 -3.205 -0.090 1.00 0.00 N ATOM 629 CA VAL A 45 -5.516 -2.165 0.731 1.00 0.00 C ATOM 630 C VAL A 45 -5.122 -2.322 2.196 1.00 0.00 C ATOM 631 O VAL A 45 -4.808 -3.422 2.650 1.00 0.00 O ATOM 632 CB VAL A 45 -7.053 -2.186 0.620 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.491 -1.844 -0.795 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.600 -3.541 1.044 1.00 0.00 C ATOM 0 H VAL A 45 -4.918 -4.134 0.331 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.146 -1.211 0.357 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.458 -1.430 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.579 -1.864 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.132 -0.849 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.077 -2.574 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.687 -3.537 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.188 -4.317 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.317 -3.740 2.078 1.00 0.00 H new ATOM 644 N ASP A 46 -5.140 -1.215 2.931 1.00 0.00 N ATOM 645 CA ASP A 46 -4.785 -1.231 4.345 1.00 0.00 C ATOM 646 C ASP A 46 -5.701 -2.167 5.126 1.00 0.00 C ATOM 647 O ASP A 46 -6.901 -2.245 4.856 1.00 0.00 O ATOM 648 CB ASP A 46 -4.859 0.183 4.926 1.00 0.00 C ATOM 649 CG ASP A 46 -3.494 0.725 5.308 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.484 0.211 4.783 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.437 1.661 6.132 1.00 0.00 O ATOM 0 H ASP A 46 -5.397 -0.296 2.571 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.763 -1.599 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.320 0.849 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.504 0.178 5.805 1.00 0.00 H new ATOM 656 N ARG A 47 -5.130 -2.875 6.094 1.00 0.00 N ATOM 657 CA ARG A 47 -5.897 -3.807 6.915 1.00 0.00 C ATOM 658 C ARG A 47 -7.039 -3.090 7.630 1.00 0.00 C ATOM 659 O ARG A 47 -8.085 -3.681 7.898 1.00 0.00 O ATOM 660 CB ARG A 47 -4.986 -4.486 7.939 1.00 0.00 C ATOM 661 CG ARG A 47 -5.557 -5.780 8.496 1.00 0.00 C ATOM 662 CD ARG A 47 -6.273 -5.549 9.817 1.00 0.00 C ATOM 663 NE ARG A 47 -5.391 -4.960 10.823 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.825 -4.335 11.915 1.00 0.00 C ATOM 665 NH1 ARG A 47 -7.126 -4.216 12.148 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.955 -3.828 12.778 1.00 0.00 N ATOM 0 H ARG A 47 -4.139 -2.822 6.330 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.323 -4.565 6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.022 -4.694 7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.801 -3.796 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.251 -6.213 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.753 -6.502 8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.128 -4.893 9.656 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.664 -6.496 10.188 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.384 -5.032 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.800 -4.605 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.452 -3.736 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.954 -3.917 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.287 -3.349 13.615 1.00 0.00 H new ATOM 680 N SER A 48 -6.831 -1.813 7.935 1.00 0.00 N ATOM 681 CA SER A 48 -7.843 -1.016 8.617 1.00 0.00 C ATOM 682 C SER A 48 -8.855 -0.455 7.623 1.00 0.00 C ATOM 683 O SER A 48 -10.026 -0.267 7.953 1.00 0.00 O ATOM 684 CB SER A 48 -7.185 0.127 9.392 1.00 0.00 C ATOM 685 OG SER A 48 -7.845 0.355 10.625 1.00 0.00 O ATOM 0 H SER A 48 -5.971 -1.309 7.720 1.00 0.00 H new ATOM 0 HA SER A 48 -8.369 -1.665 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.137 -0.110 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.206 1.036 8.792 1.00 0.00 H new ATOM 0 HG SER A 48 -7.404 1.089 11.101 1.00 0.00 H new ATOM 691 N THR A 49 -8.396 -0.190 6.405 1.00 0.00 N ATOM 692 CA THR A 49 -9.261 0.350 5.363 1.00 0.00 C ATOM 693 C THR A 49 -10.323 -0.667 4.957 1.00 0.00 C ATOM 694 O THR A 49 -11.470 -0.309 4.686 1.00 0.00 O ATOM 695 CB THR A 49 -8.435 0.756 4.142 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.415 1.668 4.508 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.259 1.401 3.049 1.00 0.00 C ATOM 0 H THR A 49 -7.430 -0.340 6.115 1.00 0.00 H new ATOM 0 HA THR A 49 -9.761 1.232 5.763 1.00 0.00 H new ATOM 0 HB THR A 49 -8.014 -0.172 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.567 1.978 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.612 1.664 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.024 0.703 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.736 2.301 3.436 1.00 0.00 H new ATOM 705 N ILE A 50 -9.933 -1.936 4.919 1.00 0.00 N ATOM 706 CA ILE A 50 -10.849 -3.007 4.547 1.00 0.00 C ATOM 707 C ILE A 50 -11.746 -3.389 5.720 1.00 0.00 C ATOM 708 O ILE A 50 -12.894 -3.792 5.531 1.00 0.00 O ATOM 709 CB ILE A 50 -10.086 -4.256 4.062 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.065 -5.328 3.579 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.198 -4.803 5.171 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.866 -4.912 2.364 1.00 0.00 C ATOM 0 H ILE A 50 -8.988 -2.248 5.142 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.465 -2.632 3.730 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.451 -3.968 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.510 -6.236 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.751 -5.574 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.667 -5.684 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.477 -4.042 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.813 -5.075 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.539 -5.720 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.449 -4.021 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.188 -4.694 1.539 1.00 0.00 H new ATOM 724 N ALA A 51 -11.217 -3.258 6.932 1.00 0.00 N ATOM 725 CA ALA A 51 -11.969 -3.587 8.137 1.00 0.00 C ATOM 726 C ALA A 51 -13.255 -2.771 8.222 1.00 0.00 C ATOM 727 O ALA A 51 -14.315 -3.298 8.557 1.00 0.00 O ATOM 728 CB ALA A 51 -11.114 -3.358 9.373 1.00 0.00 C ATOM 0 H ALA A 51 -10.268 -2.926 7.106 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.241 -4.641 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.689 -3.608 10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.227 -3.990 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.812 -2.312 9.418 1.00 0.00 H new ATOM 734 N ARG A 52 -13.153 -1.482 7.914 1.00 0.00 N ATOM 735 CA ARG A 52 -14.307 -0.594 7.954 1.00 0.00 C ATOM 736 C ARG A 52 -15.371 -1.043 6.956 1.00 0.00 C ATOM 737 O ARG A 52 -16.568 -0.896 7.201 1.00 0.00 O ATOM 738 CB ARG A 52 -13.882 0.845 7.651 1.00 0.00 C ATOM 739 CG ARG A 52 -14.995 1.861 7.847 1.00 0.00 C ATOM 740 CD ARG A 52 -14.442 3.222 8.239 1.00 0.00 C ATOM 741 NE ARG A 52 -15.501 4.156 8.614 1.00 0.00 N ATOM 742 CZ ARG A 52 -16.219 4.052 9.729 1.00 0.00 C ATOM 743 NH1 ARG A 52 -15.996 3.060 10.582 1.00 0.00 N ATOM 744 NH2 ARG A 52 -17.165 4.944 9.995 1.00 0.00 N ATOM 0 H ARG A 52 -12.282 -1.030 7.634 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.732 -0.635 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.042 1.110 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.527 0.901 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.572 1.953 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.679 1.509 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.750 3.105 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.872 3.635 7.407 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.701 4.933 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.270 2.371 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.550 2.987 11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.342 5.709 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.715 4.864 10.850 1.00 0.00 H new ATOM 758 N HIS A 53 -14.923 -1.594 5.834 1.00 0.00 N ATOM 759 CA HIS A 53 -15.833 -2.070 4.799 1.00 0.00 C ATOM 760 C HIS A 53 -16.419 -3.430 5.167 1.00 0.00 C ATOM 761 O HIS A 53 -17.480 -3.814 4.674 1.00 0.00 O ATOM 762 CB HIS A 53 -15.108 -2.162 3.455 1.00 0.00 C ATOM 763 CG HIS A 53 -16.032 -2.283 2.283 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.980 -1.340 1.952 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.139 -3.264 1.352 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.621 -1.769 0.857 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.148 -2.932 0.452 1.00 0.00 N ATOM 0 H HIS A 53 -13.935 -1.722 5.618 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.651 -1.354 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.485 -1.277 3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.439 -3.023 3.470 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.162 -0.470 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.537 -4.160 1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.421 -1.232 0.369 1.00 0.00 H new ATOM 775 N LEU A 54 -15.720 -4.158 6.036 1.00 0.00 N ATOM 776 CA LEU A 54 -16.173 -5.475 6.468 1.00 0.00 C ATOM 777 C LEU A 54 -16.926 -5.389 7.793 1.00 0.00 C ATOM 778 O LEU A 54 -16.903 -6.325 8.592 1.00 0.00 O ATOM 779 CB LEU A 54 -14.982 -6.425 6.607 1.00 0.00 C ATOM 780 CG LEU A 54 -14.197 -6.673 5.317 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.002 -7.573 5.585 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.100 -7.283 4.255 1.00 0.00 C ATOM 0 H LEU A 54 -14.839 -3.857 6.453 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.854 -5.862 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.301 -6.022 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.342 -7.382 6.985 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.828 -5.716 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.456 -7.738 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.345 -7.098 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.348 -8.529 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.527 -7.453 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.497 -8.232 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.924 -6.602 4.043 1.00 0.00 H new ATOM 794 N LEU A 55 -17.592 -4.261 8.019 1.00 0.00 N ATOM 795 CA LEU A 55 -18.352 -4.056 9.248 1.00 0.00 C ATOM 796 C LEU A 55 -19.771 -4.596 9.103 1.00 0.00 C ATOM 797 O LEU A 55 -20.118 -5.623 9.686 1.00 0.00 O ATOM 798 CB LEU A 55 -18.393 -2.569 9.605 1.00 0.00 C ATOM 799 CG LEU A 55 -17.100 -2.009 10.200 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.213 -0.507 10.405 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.774 -2.706 11.513 1.00 0.00 C ATOM 0 H LEU A 55 -17.621 -3.476 7.369 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.854 -4.600 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.637 -2.002 8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.203 -2.404 10.315 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.287 -2.198 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.284 -0.127 10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.400 -0.022 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.037 -0.294 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.851 -2.296 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.588 -2.548 12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.649 -3.774 11.337 1.00 0.00 H new ATOM 813 N SER A 56 -20.586 -3.896 8.320 1.00 0.00 N ATOM 814 CA SER A 56 -21.968 -4.305 8.096 1.00 0.00 C ATOM 815 C SER A 56 -22.070 -5.224 6.883 1.00 0.00 C ATOM 816 O SER A 56 -22.900 -6.133 6.849 1.00 0.00 O ATOM 817 CB SER A 56 -22.860 -3.078 7.898 1.00 0.00 C ATOM 818 OG SER A 56 -23.420 -2.650 9.128 1.00 0.00 O ATOM 0 H SER A 56 -20.314 -3.044 7.830 1.00 0.00 H new ATOM 0 HA SER A 56 -22.307 -4.852 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.277 -2.268 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.658 -3.315 7.194 1.00 0.00 H new ATOM 0 HG SER A 56 -23.984 -1.864 8.974 1.00 0.00 H new ATOM 824 N ASP A 57 -21.221 -4.981 5.891 1.00 0.00 N ATOM 825 CA ASP A 57 -21.214 -5.785 4.675 1.00 0.00 C ATOM 826 C ASP A 57 -19.858 -6.453 4.473 1.00 0.00 C ATOM 827 O ASP A 57 -18.955 -5.876 3.866 1.00 0.00 O ATOM 828 CB ASP A 57 -21.552 -4.917 3.461 1.00 0.00 C ATOM 829 CG ASP A 57 -22.900 -4.236 3.596 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.894 -4.936 3.878 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.961 -3.000 3.418 1.00 0.00 O ATOM 0 H ASP A 57 -20.528 -4.233 5.905 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.971 -6.562 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.777 -4.161 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.548 -5.535 2.563 1.00 0.00 H new ATOM 836 N GLN A 58 -19.721 -7.672 4.986 1.00 0.00 N ATOM 837 CA GLN A 58 -18.474 -8.418 4.861 1.00 0.00 C ATOM 838 C GLN A 58 -18.208 -8.790 3.406 1.00 0.00 C ATOM 839 O GLN A 58 -18.396 -9.939 3.003 1.00 0.00 O ATOM 840 CB GLN A 58 -18.521 -9.681 5.724 1.00 0.00 C ATOM 841 CG GLN A 58 -18.171 -9.434 7.182 1.00 0.00 C ATOM 842 CD GLN A 58 -19.386 -9.473 8.089 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.358 -10.178 7.814 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.337 -8.714 9.177 1.00 0.00 N ATOM 0 H GLN A 58 -20.458 -8.164 5.492 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.661 -7.781 5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.520 -10.113 5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.831 -10.418 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.452 -10.184 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.684 -8.463 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.511 -8.146 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.125 -8.699 9.824 1.00 0.00 H new ATOM 853 N THR A 59 -17.768 -7.812 2.621 1.00 0.00 N ATOM 854 CA THR A 59 -17.476 -8.037 1.210 1.00 0.00 C ATOM 855 C THR A 59 -16.331 -7.144 0.742 1.00 0.00 C ATOM 856 O THR A 59 -15.764 -6.383 1.527 1.00 0.00 O ATOM 857 CB THR A 59 -18.722 -7.774 0.362 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.449 -6.670 0.869 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.665 -8.957 0.301 1.00 0.00 C ATOM 0 H THR A 59 -17.606 -6.856 2.938 1.00 0.00 H new ATOM 0 HA THR A 59 -17.175 -9.077 1.088 1.00 0.00 H new ATOM 0 HB THR A 59 -18.351 -7.574 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.241 -6.517 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.527 -8.704 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.148 -9.813 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.000 -9.208 1.308 1.00 0.00 H new ATOM 867 N ASP A 60 -15.996 -7.244 -0.539 1.00 0.00 N ATOM 868 CA ASP A 60 -14.918 -6.444 -1.112 1.00 0.00 C ATOM 869 C ASP A 60 -15.454 -5.122 -1.659 1.00 0.00 C ATOM 870 O ASP A 60 -16.510 -5.087 -2.289 1.00 0.00 O ATOM 871 CB ASP A 60 -14.214 -7.225 -2.224 1.00 0.00 C ATOM 872 CG ASP A 60 -12.704 -7.191 -2.089 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.090 -6.205 -2.547 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.137 -8.150 -1.524 1.00 0.00 O ATOM 0 H ASP A 60 -16.454 -7.870 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.200 -6.224 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.554 -8.260 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.499 -6.811 -3.191 1.00 0.00 H new ATOM 879 N PRO A 61 -14.732 -4.012 -1.427 1.00 0.00 N ATOM 880 CA PRO A 61 -15.150 -2.689 -1.904 1.00 0.00 C ATOM 881 C PRO A 61 -14.979 -2.520 -3.412 1.00 0.00 C ATOM 882 O PRO A 61 -15.367 -1.498 -3.976 1.00 0.00 O ATOM 883 CB PRO A 61 -14.220 -1.736 -1.152 1.00 0.00 C ATOM 884 CG PRO A 61 -12.994 -2.538 -0.887 1.00 0.00 C ATOM 885 CD PRO A 61 -13.459 -3.955 -0.685 1.00 0.00 C ATOM 0 HA PRO A 61 -16.210 -2.512 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.994 -0.851 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.675 -1.389 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.297 -2.472 -1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.470 -2.170 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.736 -4.673 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.600 -4.184 0.371 1.00 0.00 H new ATOM 893 N PHE A 62 -14.393 -3.524 -4.063 1.00 0.00 N ATOM 894 CA PHE A 62 -14.174 -3.470 -5.504 1.00 0.00 C ATOM 895 C PHE A 62 -15.020 -4.510 -6.233 1.00 0.00 C ATOM 896 O PHE A 62 -15.689 -4.199 -7.219 1.00 0.00 O ATOM 897 CB PHE A 62 -12.693 -3.690 -5.823 1.00 0.00 C ATOM 898 CG PHE A 62 -11.768 -2.839 -5.001 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.546 -1.512 -5.335 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.121 -3.365 -3.895 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.696 -0.726 -4.580 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.269 -2.584 -3.135 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.056 -1.263 -3.479 1.00 0.00 C ATOM 0 H PHE A 62 -14.064 -4.380 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.475 -2.481 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.447 -4.740 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.523 -3.482 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.043 -1.088 -6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.284 -4.397 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.532 0.307 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.771 -3.006 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.390 -0.651 -2.888 1.00 0.00 H new ATOM 913 N ASN A 63 -14.978 -5.748 -5.750 1.00 0.00 N ATOM 914 CA ASN A 63 -15.736 -6.833 -6.365 1.00 0.00 C ATOM 915 C ASN A 63 -17.084 -7.034 -5.676 1.00 0.00 C ATOM 916 O ASN A 63 -18.036 -7.515 -6.288 1.00 0.00 O ATOM 917 CB ASN A 63 -14.931 -8.133 -6.320 1.00 0.00 C ATOM 918 CG ASN A 63 -14.052 -8.311 -7.542 1.00 0.00 C ATOM 919 OD1 ASN A 63 -12.985 -7.524 -7.625 1.00 0.00 O flip ATOM 920 ND2 ASN A 63 -14.328 -9.148 -8.402 1.00 0.00 N flip ATOM 0 H ASN A 63 -14.428 -6.025 -4.936 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.924 -6.559 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.310 -8.142 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.615 -8.978 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.158 -9.732 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.727 -9.258 -9.219 1.00 0.00 H new ATOM 927 N ARG A 64 -17.157 -6.668 -4.399 1.00 0.00 N ATOM 928 CA ARG A 64 -18.391 -6.816 -3.632 1.00 0.00 C ATOM 929 C ARG A 64 -18.730 -8.289 -3.431 1.00 0.00 C ATOM 930 O ARG A 64 -19.900 -8.665 -3.361 1.00 0.00 O ATOM 931 CB ARG A 64 -19.549 -6.104 -4.337 1.00 0.00 C ATOM 932 CG ARG A 64 -20.507 -5.410 -3.381 1.00 0.00 C ATOM 933 CD ARG A 64 -20.780 -3.974 -3.799 1.00 0.00 C ATOM 934 NE ARG A 64 -20.655 -3.044 -2.680 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.170 -1.817 -2.673 1.00 0.00 C ATOM 936 NH1 ARG A 64 -21.845 -1.366 -3.723 1.00 0.00 N ATOM 937 NH2 ARG A 64 -21.009 -1.036 -1.613 1.00 0.00 N ATOM 0 H ARG A 64 -16.379 -6.268 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.238 -6.358 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.144 -5.368 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.104 -6.830 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.446 -5.962 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.089 -5.422 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.084 -3.688 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.784 -3.903 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.142 -3.353 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -21.972 -1.961 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -22.237 -0.424 -3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.490 -1.376 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -21.404 -0.096 -1.608 1.00 0.00 H new ATOM 951 N SER A 65 -17.696 -9.119 -3.337 1.00 0.00 N ATOM 952 CA SER A 65 -17.879 -10.553 -3.142 1.00 0.00 C ATOM 953 C SER A 65 -17.712 -10.924 -1.670 1.00 0.00 C ATOM 954 O SER A 65 -17.209 -10.129 -0.875 1.00 0.00 O ATOM 955 CB SER A 65 -16.879 -11.334 -3.996 1.00 0.00 C ATOM 956 OG SER A 65 -17.472 -11.768 -5.208 1.00 0.00 O ATOM 0 H SER A 65 -16.722 -8.823 -3.393 1.00 0.00 H new ATOM 0 HA SER A 65 -18.891 -10.814 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.015 -10.707 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.514 -12.196 -3.437 1.00 0.00 H new ATOM 0 HG SER A 65 -16.812 -12.263 -5.736 1.00 0.00 H new ATOM 962 N PRO A 66 -18.132 -12.141 -1.284 1.00 0.00 N ATOM 963 CA PRO A 66 -18.023 -12.612 0.101 1.00 0.00 C ATOM 964 C PRO A 66 -16.580 -12.623 0.594 1.00 0.00 C ATOM 965 O PRO A 66 -15.792 -13.490 0.218 1.00 0.00 O ATOM 966 CB PRO A 66 -18.586 -14.039 0.051 1.00 0.00 C ATOM 967 CG PRO A 66 -18.547 -14.426 -1.389 1.00 0.00 C ATOM 968 CD PRO A 66 -18.741 -13.155 -2.162 1.00 0.00 C ATOM 0 HA PRO A 66 -18.557 -11.960 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.988 -14.719 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.603 -14.075 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.596 -14.895 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.330 -15.148 -1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.251 -13.195 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.796 -12.950 -2.345 1.00 0.00 H new ATOM 976 N LEU A 67 -16.243 -11.654 1.438 1.00 0.00 N ATOM 977 CA LEU A 67 -14.895 -11.549 1.985 1.00 0.00 C ATOM 978 C LEU A 67 -14.935 -11.255 3.481 1.00 0.00 C ATOM 979 O LEU A 67 -15.856 -10.601 3.970 1.00 0.00 O ATOM 980 CB LEU A 67 -14.112 -10.453 1.259 1.00 0.00 C ATOM 981 CG LEU A 67 -12.696 -10.211 1.783 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.744 -11.276 1.261 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.212 -8.823 1.389 1.00 0.00 C ATOM 0 H LEU A 67 -16.885 -10.929 1.759 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.394 -12.505 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.052 -10.711 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.673 -9.521 1.329 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.717 -10.273 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.741 -11.087 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.080 -12.258 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.727 -11.247 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.203 -8.668 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.207 -8.734 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.879 -8.072 1.812 1.00 0.00 H new ATOM 995 N THR A 68 -13.932 -11.745 4.203 1.00 0.00 N ATOM 996 CA THR A 68 -13.855 -11.534 5.643 1.00 0.00 C ATOM 997 C THR A 68 -12.440 -11.144 6.061 1.00 0.00 C ATOM 998 O THR A 68 -11.541 -11.041 5.226 1.00 0.00 O ATOM 999 CB THR A 68 -14.288 -12.798 6.389 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.685 -13.947 5.820 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.785 -13.014 6.381 1.00 0.00 C ATOM 0 H THR A 68 -13.163 -12.290 3.814 1.00 0.00 H new ATOM 0 HA THR A 68 -14.530 -10.718 5.902 1.00 0.00 H new ATOM 0 HB THR A 68 -13.964 -12.651 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.973 -14.745 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.024 -13.927 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.277 -12.167 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.134 -13.104 5.352 1.00 0.00 H new ATOM 1009 N MET A 69 -12.251 -10.926 7.359 1.00 0.00 N ATOM 1010 CA MET A 69 -10.945 -10.548 7.888 1.00 0.00 C ATOM 1011 C MET A 69 -9.986 -11.735 7.872 1.00 0.00 C ATOM 1012 O MET A 69 -8.776 -11.566 7.728 1.00 0.00 O ATOM 1013 CB MET A 69 -11.085 -10.008 9.312 1.00 0.00 C ATOM 1014 CG MET A 69 -10.200 -8.806 9.598 1.00 0.00 C ATOM 1015 SD MET A 69 -10.925 -7.258 9.024 1.00 0.00 S ATOM 1016 CE MET A 69 -9.454 -6.348 8.558 1.00 0.00 C ATOM 0 H MET A 69 -12.985 -11.005 8.063 1.00 0.00 H new ATOM 0 HA MET A 69 -10.535 -9.766 7.249 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.125 -9.732 9.486 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.843 -10.802 10.018 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.017 -8.741 10.671 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.232 -8.950 9.118 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.736 -5.482 7.960 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.933 -6.015 9.455 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.797 -6.993 7.975 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.536 -12.936 8.021 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.730 -14.151 8.024 1.00 0.00 C ATOM 1028 C ASP A 70 -9.253 -14.489 6.614 1.00 0.00 C ATOM 1029 O ASP A 70 -8.179 -15.061 6.433 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.535 -15.319 8.601 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.931 -15.860 9.882 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -8.783 -16.349 9.836 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.607 -15.796 10.930 1.00 0.00 O ATOM 0 H ASP A 70 -11.537 -13.093 8.141 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.855 -13.979 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.557 -14.992 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.590 -16.119 7.862 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.060 -14.132 5.619 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.721 -14.398 4.226 1.00 0.00 C ATOM 1040 C GLN A 71 -8.529 -13.555 3.785 1.00 0.00 C ATOM 1041 O GLN A 71 -7.598 -14.061 3.157 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.923 -14.113 3.324 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.982 -15.203 3.359 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.959 -15.103 2.203 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.145 -14.839 2.400 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.463 -15.316 0.990 1.00 0.00 N ATOM 0 H GLN A 71 -10.953 -13.658 5.752 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.451 -15.450 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.376 -13.168 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.576 -13.988 2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.496 -16.178 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.530 -15.142 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.473 -15.532 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.072 -15.264 0.174 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.563 -12.269 4.115 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.485 -11.357 3.751 1.00 0.00 C ATOM 1057 C ILE A 72 -6.183 -11.742 4.446 1.00 0.00 C ATOM 1058 O ILE A 72 -6.194 -12.307 5.540 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.835 -9.900 4.109 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.116 -9.772 5.608 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -9.032 -9.428 3.298 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.705 -8.437 6.188 1.00 0.00 C ATOM 0 H ILE A 72 -9.326 -11.834 4.634 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.355 -11.435 2.672 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.982 -9.267 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.181 -9.923 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.590 -10.566 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.267 -8.397 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.797 -9.486 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.891 -10.063 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.934 -8.417 7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.634 -8.292 6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.250 -7.638 5.685 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.062 -11.431 3.804 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.750 -11.744 4.361 1.00 0.00 C ATOM 1076 C ARG A 73 -2.817 -10.540 4.265 1.00 0.00 C ATOM 1077 O ARG A 73 -2.927 -9.732 3.343 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.135 -12.941 3.632 1.00 0.00 C ATOM 1079 CG ARG A 73 -4.022 -14.176 3.634 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.724 -15.074 4.823 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.691 -16.164 4.943 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.715 -17.224 4.138 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.829 -17.343 3.157 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.628 -18.169 4.316 1.00 0.00 N ATOM 0 H ARG A 73 -5.035 -10.963 2.898 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.880 -11.997 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.923 -12.658 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.181 -13.188 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.069 -13.873 3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.873 -14.734 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.721 -15.489 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.732 -14.480 5.737 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.387 -16.109 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.124 -16.620 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.853 -18.158 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.311 -18.083 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.648 -18.982 3.700 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.880 -10.405 5.220 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.926 -9.293 5.237 1.00 0.00 C ATOM 1100 C PRO A 74 0.108 -9.399 4.121 1.00 0.00 C ATOM 1101 O PRO A 74 0.770 -10.425 3.970 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.252 -9.423 6.604 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.375 -10.867 6.950 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.679 -11.325 6.355 1.00 0.00 C ATOM 0 HA PRO A 74 -1.417 -8.333 5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.792 -9.113 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.741 -8.794 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.461 -11.438 6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.367 -11.012 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.628 -12.363 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.494 -11.258 7.075 1.00 0.00 H new ATOM 1112 N ASN A 75 0.240 -8.331 3.340 1.00 0.00 N ATOM 1113 CA ASN A 75 1.193 -8.305 2.236 1.00 0.00 C ATOM 1114 C ASN A 75 2.609 -8.061 2.747 1.00 0.00 C ATOM 1115 O ASN A 75 3.059 -6.919 2.839 1.00 0.00 O ATOM 1116 CB ASN A 75 0.808 -7.221 1.228 1.00 0.00 C ATOM 1117 CG ASN A 75 1.046 -7.654 -0.205 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.386 -8.808 -0.469 1.00 0.00 O ATOM 1119 ND2 ASN A 75 0.868 -6.729 -1.142 1.00 0.00 N ATOM 0 H ASN A 75 -0.300 -7.473 3.451 1.00 0.00 H new ATOM 0 HA ASN A 75 1.166 -9.276 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.244 -6.965 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.383 -6.318 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.013 -6.963 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.586 -5.785 -0.879 1.00 0.00 H new ATOM 1126 N THR A 76 3.309 -9.142 3.078 1.00 0.00 N ATOM 1127 CA THR A 76 4.675 -9.045 3.579 1.00 0.00 C ATOM 1128 C THR A 76 5.604 -8.471 2.515 1.00 0.00 C ATOM 1129 O THR A 76 6.548 -7.746 2.827 1.00 0.00 O ATOM 1130 CB THR A 76 5.177 -10.421 4.024 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.091 -11.289 4.292 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.040 -10.369 5.265 1.00 0.00 C ATOM 0 H THR A 76 2.952 -10.095 3.008 1.00 0.00 H new ATOM 0 HA THR A 76 4.674 -8.372 4.437 1.00 0.00 H new ATOM 0 HB THR A 76 5.781 -10.790 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.433 -12.163 4.573 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.362 -11.377 5.526 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.914 -9.746 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.466 -9.946 6.090 1.00 0.00 H new ATOM 1140 N GLU A 77 5.330 -8.801 1.257 1.00 0.00 N ATOM 1141 CA GLU A 77 6.142 -8.318 0.146 1.00 0.00 C ATOM 1142 C GLU A 77 6.086 -6.797 0.053 1.00 0.00 C ATOM 1143 O GLU A 77 7.065 -6.150 -0.320 1.00 0.00 O ATOM 1144 CB GLU A 77 5.666 -8.938 -1.169 1.00 0.00 C ATOM 1145 CG GLU A 77 6.369 -10.240 -1.517 1.00 0.00 C ATOM 1146 CD GLU A 77 7.439 -10.060 -2.576 1.00 0.00 C ATOM 1147 OE1 GLU A 77 8.142 -9.029 -2.540 1.00 0.00 O ATOM 1148 OE2 GLU A 77 7.573 -10.951 -3.442 1.00 0.00 O ATOM 0 H GLU A 77 4.552 -9.401 0.982 1.00 0.00 H new ATOM 0 HA GLU A 77 7.175 -8.616 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.593 -9.119 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.823 -8.223 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.821 -10.657 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.633 -10.963 -1.869 1.00 0.00 H new ATOM 1155 N LEU A 78 4.934 -6.230 0.396 1.00 0.00 N ATOM 1156 CA LEU A 78 4.750 -4.784 0.352 1.00 0.00 C ATOM 1157 C LEU A 78 5.115 -4.150 1.690 1.00 0.00 C ATOM 1158 O LEU A 78 5.709 -3.073 1.737 1.00 0.00 O ATOM 1159 CB LEU A 78 3.302 -4.444 -0.008 1.00 0.00 C ATOM 1160 CG LEU A 78 3.050 -2.976 -0.356 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.742 -2.610 -1.661 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.557 -2.700 -0.447 1.00 0.00 C ATOM 0 H LEU A 78 4.114 -6.750 0.708 1.00 0.00 H new ATOM 0 HA LEU A 78 5.412 -4.381 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.000 -5.060 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.661 -4.718 0.830 1.00 0.00 H new ATOM 0 HG LEU A 78 3.467 -2.357 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.552 -1.562 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.816 -2.770 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.355 -3.235 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.395 -1.651 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.117 -3.328 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.087 -2.923 0.511 1.00 0.00 H new ATOM 1174 N LYS A 79 4.755 -4.826 2.777 1.00 0.00 N ATOM 1175 CA LYS A 79 5.045 -4.331 4.118 1.00 0.00 C ATOM 1176 C LYS A 79 6.544 -4.121 4.309 1.00 0.00 C ATOM 1177 O LYS A 79 6.967 -3.214 5.027 1.00 0.00 O ATOM 1178 CB LYS A 79 4.518 -5.309 5.170 1.00 0.00 C ATOM 1179 CG LYS A 79 4.547 -4.755 6.586 1.00 0.00 C ATOM 1180 CD LYS A 79 5.629 -5.419 7.423 1.00 0.00 C ATOM 1181 CE LYS A 79 5.607 -4.919 8.859 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.866 -5.845 9.758 1.00 0.00 N ATOM 0 H LYS A 79 4.262 -5.719 2.755 1.00 0.00 H new ATOM 0 HA LYS A 79 4.543 -3.371 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.494 -5.584 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.111 -6.223 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.720 -3.679 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.576 -4.908 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.488 -6.500 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.606 -5.220 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.629 -4.804 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.144 -3.933 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.874 -5.468 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.883 -5.935 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.322 -6.780 9.746 1.00 0.00 H new ATOM 1196 N GLU A 80 7.342 -4.964 3.661 1.00 0.00 N ATOM 1197 CA GLU A 80 8.794 -4.869 3.759 1.00 0.00 C ATOM 1198 C GLU A 80 9.316 -3.683 2.956 1.00 0.00 C ATOM 1199 O GLU A 80 10.312 -3.060 3.325 1.00 0.00 O ATOM 1200 CB GLU A 80 9.444 -6.162 3.263 1.00 0.00 C ATOM 1201 CG GLU A 80 9.384 -7.299 4.270 1.00 0.00 C ATOM 1202 CD GLU A 80 10.515 -8.293 4.095 1.00 0.00 C ATOM 1203 OE1 GLU A 80 10.463 -9.087 3.132 1.00 0.00 O ATOM 1204 OE2 GLU A 80 11.453 -8.277 4.920 1.00 0.00 O ATOM 0 H GLU A 80 7.008 -5.720 3.063 1.00 0.00 H new ATOM 0 HA GLU A 80 9.054 -4.718 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.952 -6.477 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.486 -5.963 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.419 -6.888 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.431 -7.818 4.170 1.00 0.00 H new ATOM 1211 N LYS A 81 8.638 -3.376 1.854 1.00 0.00 N ATOM 1212 CA LYS A 81 9.033 -2.265 0.998 1.00 0.00 C ATOM 1213 C LYS A 81 8.800 -0.929 1.696 1.00 0.00 C ATOM 1214 O LYS A 81 9.544 0.030 1.489 1.00 0.00 O ATOM 1215 CB LYS A 81 8.256 -2.306 -0.319 1.00 0.00 C ATOM 1216 CG LYS A 81 8.910 -3.172 -1.384 1.00 0.00 C ATOM 1217 CD LYS A 81 8.233 -2.998 -2.734 1.00 0.00 C ATOM 1218 CE LYS A 81 8.972 -1.994 -3.603 1.00 0.00 C ATOM 1219 NZ LYS A 81 10.266 -2.536 -4.103 1.00 0.00 N ATOM 0 H LYS A 81 7.812 -3.882 1.534 1.00 0.00 H new ATOM 0 HA LYS A 81 10.098 -2.364 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.250 -2.679 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.152 -1.291 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.965 -2.912 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.862 -4.219 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.187 -3.959 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.205 -2.666 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.344 -1.716 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.157 -1.085 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.598 -1.960 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.972 -2.508 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.133 -3.519 -4.416 1.00 0.00 H new ATOM 1233 N ILE A 82 7.764 -0.874 2.526 1.00 0.00 N ATOM 1234 CA ILE A 82 7.433 0.344 3.256 1.00 0.00 C ATOM 1235 C ILE A 82 8.445 0.608 4.366 1.00 0.00 C ATOM 1236 O ILE A 82 8.780 1.758 4.654 1.00 0.00 O ATOM 1237 CB ILE A 82 6.020 0.269 3.867 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.002 -0.143 2.802 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.636 1.605 4.485 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.733 -0.734 3.376 1.00 0.00 C ATOM 0 H ILE A 82 7.139 -1.659 2.710 1.00 0.00 H new ATOM 0 HA ILE A 82 7.463 1.163 2.537 1.00 0.00 H new ATOM 0 HB ILE A 82 6.021 -0.485 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.747 0.728 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.462 -0.871 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.636 1.534 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.348 1.861 5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.649 2.378 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.057 -1.003 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.976 -1.624 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.250 -0.001 4.022 1.00 0.00 H new ATOM 1252 N GLN A 83 8.931 -0.464 4.985 1.00 0.00 N ATOM 1253 CA GLN A 83 9.907 -0.347 6.062 1.00 0.00 C ATOM 1254 C GLN A 83 11.259 0.105 5.521 1.00 0.00 C ATOM 1255 O GLN A 83 11.968 0.881 6.163 1.00 0.00 O ATOM 1256 CB GLN A 83 10.057 -1.685 6.789 1.00 0.00 C ATOM 1257 CG GLN A 83 8.755 -2.213 7.367 1.00 0.00 C ATOM 1258 CD GLN A 83 8.707 -2.115 8.880 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.742 -2.035 9.542 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.501 -2.123 9.436 1.00 0.00 N ATOM 0 H GLN A 83 8.665 -1.422 4.759 1.00 0.00 H new ATOM 0 HA GLN A 83 9.548 0.403 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.462 -2.422 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.783 -1.572 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.921 -1.654 6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.625 -3.254 7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.669 -2.191 8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.406 -2.061 10.450 1.00 0.00 H new ATOM 1269 N ARG A 84 11.609 -0.385 4.337 1.00 0.00 N ATOM 1270 CA ARG A 84 12.876 -0.032 3.707 1.00 0.00 C ATOM 1271 C ARG A 84 12.922 1.456 3.374 1.00 0.00 C ATOM 1272 O ARG A 84 13.970 2.093 3.471 1.00 0.00 O ATOM 1273 CB ARG A 84 13.085 -0.858 2.436 1.00 0.00 C ATOM 1274 CG ARG A 84 14.544 -1.170 2.147 1.00 0.00 C ATOM 1275 CD ARG A 84 15.059 -2.295 3.030 1.00 0.00 C ATOM 1276 NE ARG A 84 15.422 -1.823 4.363 1.00 0.00 N ATOM 1277 CZ ARG A 84 15.559 -2.620 5.421 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.364 -3.927 5.305 1.00 0.00 N ATOM 1279 NH2 ARG A 84 15.892 -2.108 6.597 1.00 0.00 N ATOM 0 H ARG A 84 11.033 -1.028 3.794 1.00 0.00 H new ATOM 0 HA ARG A 84 13.678 -0.253 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.533 -1.793 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.663 -0.318 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.657 -1.448 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.147 -0.276 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.295 -3.068 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.928 -2.756 2.560 1.00 0.00 H new ATOM 0 HE ARG A 84 15.580 -0.824 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.108 -4.326 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.470 -4.533 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.043 -1.104 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.997 -2.718 7.408 1.00 0.00 H new ATOM 1293 N TRP A 85 11.775 2.004 2.983 1.00 0.00 N ATOM 1294 CA TRP A 85 11.683 3.417 2.636 1.00 0.00 C ATOM 1295 C TRP A 85 11.638 4.281 3.893 1.00 0.00 C ATOM 1296 O TRP A 85 12.372 5.263 4.010 1.00 0.00 O ATOM 1297 CB TRP A 85 10.441 3.673 1.780 1.00 0.00 C ATOM 1298 CG TRP A 85 10.281 5.108 1.378 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.053 5.802 0.491 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.287 6.025 1.850 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.600 7.094 0.382 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.518 7.257 1.207 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.226 5.926 2.754 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.725 8.377 1.439 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.440 7.039 2.983 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.693 8.251 2.328 1.00 0.00 C ATOM 0 H TRP A 85 10.898 1.491 2.899 1.00 0.00 H new ATOM 0 HA TRP A 85 12.571 3.686 2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.493 3.056 0.883 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.556 3.357 2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.897 5.395 -0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 85 11.003 7.815 -0.216 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.024 4.996 3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.918 9.313 0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.617 6.973 3.679 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.061 9.103 2.529 1.00 0.00 H new ATOM 1317 N LEU A 86 10.773 3.909 4.830 1.00 0.00 N ATOM 1318 CA LEU A 86 10.631 4.650 6.079 1.00 0.00 C ATOM 1319 C LEU A 86 11.957 4.707 6.830 1.00 0.00 C ATOM 1320 O LEU A 86 12.241 5.675 7.536 1.00 0.00 O ATOM 1321 CB LEU A 86 9.559 4.005 6.960 1.00 0.00 C ATOM 1322 CG LEU A 86 8.126 4.155 6.450 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.218 3.120 7.097 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.611 5.562 6.720 1.00 0.00 C ATOM 0 H LEU A 86 10.159 3.098 4.749 1.00 0.00 H new ATOM 0 HA LEU A 86 10.327 5.668 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.783 2.943 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.621 4.439 7.958 1.00 0.00 H new ATOM 0 HG LEU A 86 8.123 3.987 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.202 3.242 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.576 2.119 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.224 3.256 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.589 5.653 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.628 5.756 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.246 6.286 6.210 1.00 0.00 H new ATOM 1336 N ALA A 87 12.766 3.664 6.673 1.00 0.00 N ATOM 1337 CA ALA A 87 14.063 3.595 7.335 1.00 0.00 C ATOM 1338 C ALA A 87 15.116 4.383 6.562 1.00 0.00 C ATOM 1339 O ALA A 87 16.053 4.926 7.146 1.00 0.00 O ATOM 1340 CB ALA A 87 14.497 2.147 7.496 1.00 0.00 C ATOM 0 H ALA A 87 12.546 2.855 6.093 1.00 0.00 H new ATOM 0 HA ALA A 87 13.964 4.044 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.467 2.111 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.762 1.612 8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.573 1.679 6.515 1.00 0.00 H new ATOM 1346 N GLU A 88 14.953 4.439 5.244 1.00 0.00 N ATOM 1347 CA GLU A 88 15.889 5.160 4.388 1.00 0.00 C ATOM 1348 C GLU A 88 15.615 6.660 4.423 1.00 0.00 C ATOM 1349 O GLU A 88 16.531 7.465 4.582 1.00 0.00 O ATOM 1350 CB GLU A 88 15.798 4.646 2.951 1.00 0.00 C ATOM 1351 CG GLU A 88 16.540 3.338 2.724 1.00 0.00 C ATOM 1352 CD GLU A 88 17.838 3.527 1.963 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.817 4.201 0.911 1.00 0.00 O ATOM 1354 OE2 GLU A 88 18.875 3.002 2.419 1.00 0.00 O ATOM 0 H GLU A 88 14.182 3.994 4.746 1.00 0.00 H new ATOM 0 HA GLU A 88 16.896 4.985 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.749 4.509 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.199 5.403 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.752 2.873 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.897 2.651 2.173 1.00 0.00 H new ATOM 1361 N ARG A 89 14.347 7.028 4.272 1.00 0.00 N ATOM 1362 CA ARG A 89 13.951 8.432 4.287 1.00 0.00 C ATOM 1363 C ARG A 89 14.246 9.068 5.643 1.00 0.00 C ATOM 1364 O ARG A 89 14.463 10.276 5.737 1.00 0.00 O ATOM 1365 CB ARG A 89 12.464 8.570 3.956 1.00 0.00 C ATOM 1366 CG ARG A 89 11.546 7.945 4.995 1.00 0.00 C ATOM 1367 CD ARG A 89 10.406 8.880 5.368 1.00 0.00 C ATOM 1368 NE ARG A 89 9.962 8.682 6.745 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.248 9.573 7.430 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.895 10.723 6.869 1.00 0.00 N ATOM 1371 NH2 ARG A 89 8.886 9.313 8.679 1.00 0.00 N ATOM 0 H ARG A 89 13.576 6.374 4.138 1.00 0.00 H new ATOM 0 HA ARG A 89 14.533 8.955 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.219 9.628 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.272 8.107 2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.139 7.011 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.121 7.697 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.727 9.913 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.568 8.718 4.690 1.00 0.00 H new ATOM 0 HE ARG A 89 10.214 7.810 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.171 10.928 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.348 11.402 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.155 8.431 9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.339 9.995 9.204 1.00 0.00 H new ATOM 1385 N LYS A 90 14.250 8.248 6.690 1.00 0.00 N ATOM 1386 CA LYS A 90 14.517 8.734 8.038 1.00 0.00 C ATOM 1387 C LYS A 90 16.018 8.768 8.318 1.00 0.00 C ATOM 1388 O LYS A 90 16.496 8.161 9.275 1.00 0.00 O ATOM 1389 CB LYS A 90 13.812 7.850 9.070 1.00 0.00 C ATOM 1390 CG LYS A 90 12.395 8.301 9.390 1.00 0.00 C ATOM 1391 CD LYS A 90 12.130 8.288 10.887 1.00 0.00 C ATOM 1392 CE LYS A 90 10.686 7.920 11.194 1.00 0.00 C ATOM 1393 NZ LYS A 90 9.843 9.124 11.428 1.00 0.00 N ATOM 0 H LYS A 90 14.072 7.246 6.630 1.00 0.00 H new ATOM 0 HA LYS A 90 14.129 9.750 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.783 6.825 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.398 7.841 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.235 9.306 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.682 7.647 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.799 7.575 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.354 9.269 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.274 7.344 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.654 7.278 12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.855 8.909 11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.900 9.398 12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.184 9.907 10.835 1.00 0.00 H new ATOM 1407 N GLN A 91 16.755 9.482 7.473 1.00 0.00 N ATOM 1408 CA GLN A 91 18.201 9.597 7.629 1.00 0.00 C ATOM 1409 C GLN A 91 18.609 11.046 7.872 1.00 0.00 C ATOM 1410 O GLN A 91 17.825 11.968 7.644 1.00 0.00 O ATOM 1411 CB GLN A 91 18.913 9.056 6.387 1.00 0.00 C ATOM 1412 CG GLN A 91 19.237 7.572 6.470 1.00 0.00 C ATOM 1413 CD GLN A 91 20.695 7.275 6.178 1.00 0.00 C ATOM 1414 OE1 GLN A 91 21.144 7.371 5.036 1.00 0.00 O ATOM 1415 NE2 GLN A 91 21.443 6.911 7.214 1.00 0.00 N ATOM 0 H GLN A 91 16.375 9.989 6.674 1.00 0.00 H new ATOM 0 HA GLN A 91 18.496 9.006 8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.287 9.235 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.837 9.614 6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.988 7.205 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.611 7.027 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 91 21.029 6.845 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 91 22.431 6.698 7.080 1.00 0.00 H new ATOM 1424 N GLN A 92 19.839 11.240 8.334 1.00 0.00 N ATOM 1425 CA GLN A 92 20.350 12.578 8.607 1.00 0.00 C ATOM 1426 C GLN A 92 21.868 12.623 8.460 1.00 0.00 C ATOM 1427 O GLN A 92 22.579 11.770 8.993 1.00 0.00 O ATOM 1428 CB GLN A 92 19.948 13.023 10.015 1.00 0.00 C ATOM 1429 CG GLN A 92 19.479 14.469 10.085 1.00 0.00 C ATOM 1430 CD GLN A 92 18.054 14.597 10.587 1.00 0.00 C ATOM 1431 OE1 GLN A 92 17.182 13.808 10.223 1.00 0.00 O ATOM 1432 NE2 GLN A 92 17.810 15.597 11.427 1.00 0.00 N ATOM 0 H GLN A 92 20.501 10.488 8.527 1.00 0.00 H new ATOM 0 HA GLN A 92 19.913 13.261 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 92 19.152 12.373 10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 92 20.798 12.892 10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 92 20.143 15.031 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 92 19.553 14.919 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.563 16.227 11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.869 15.734 11.797 1.00 0.00 H new ATOM 1441 N SER A 93 22.358 13.622 7.734 1.00 0.00 N ATOM 1442 CA SER A 93 23.791 13.778 7.516 1.00 0.00 C ATOM 1443 C SER A 93 24.237 15.202 7.831 1.00 0.00 C ATOM 1444 O SER A 93 25.177 15.716 7.227 1.00 0.00 O ATOM 1445 CB SER A 93 24.151 13.427 6.071 1.00 0.00 C ATOM 1446 OG SER A 93 25.387 12.737 6.005 1.00 0.00 O ATOM 0 H SER A 93 21.783 14.336 7.286 1.00 0.00 H new ATOM 0 HA SER A 93 24.311 13.096 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 93 23.364 12.811 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.208 14.338 5.476 1.00 0.00 H new ATOM 0 HG SER A 93 25.593 12.523 5.071 1.00 0.00 H new ATOM 1452 N GLY A 94 23.555 15.834 8.780 1.00 0.00 N ATOM 1453 CA GLY A 94 23.895 17.194 9.158 1.00 0.00 C ATOM 1454 C GLY A 94 25.118 17.258 10.058 1.00 0.00 C ATOM 1455 O GLY A 94 25.077 16.782 11.192 1.00 0.00 O ATOM 0 H GLY A 94 22.773 15.429 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 94 24.078 17.783 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.047 17.649 9.670 1.00 0.00 H new ATOM 1459 N PRO A 95 26.231 17.844 9.580 1.00 0.00 N ATOM 1460 CA PRO A 95 27.463 17.955 10.368 1.00 0.00 C ATOM 1461 C PRO A 95 27.232 18.651 11.706 1.00 0.00 C ATOM 1462 O PRO A 95 27.779 18.244 12.732 1.00 0.00 O ATOM 1463 CB PRO A 95 28.386 18.798 9.482 1.00 0.00 C ATOM 1464 CG PRO A 95 27.866 18.609 8.100 1.00 0.00 C ATOM 1465 CD PRO A 95 26.379 18.441 8.239 1.00 0.00 C ATOM 0 HA PRO A 95 27.872 16.976 10.619 1.00 0.00 H new ATOM 0 HB2 PRO A 95 28.362 19.848 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 95 29.422 18.468 9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 95 28.105 19.467 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 95 28.316 17.735 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 95 25.857 19.395 8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 95 25.973 17.793 7.463 1.00 0.00 H new ATOM 1473 N SER A 96 26.420 19.703 11.688 1.00 0.00 N ATOM 1474 CA SER A 96 26.117 20.455 12.899 1.00 0.00 C ATOM 1475 C SER A 96 25.129 19.697 13.779 1.00 0.00 C ATOM 1476 O SER A 96 25.254 19.686 15.003 1.00 0.00 O ATOM 1477 CB SER A 96 25.548 21.831 12.542 1.00 0.00 C ATOM 1478 OG SER A 96 25.450 22.656 13.690 1.00 0.00 O ATOM 0 H SER A 96 25.960 20.054 10.848 1.00 0.00 H new ATOM 0 HA SER A 96 27.045 20.586 13.456 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.186 22.310 11.799 1.00 0.00 H new ATOM 0 HB3 SER A 96 24.563 21.714 12.089 1.00 0.00 H new ATOM 0 HG SER A 96 25.086 23.529 13.435 1.00 0.00 H new ATOM 1484 N SER A 97 24.146 19.065 13.147 1.00 0.00 N ATOM 1485 CA SER A 97 23.136 18.304 13.872 1.00 0.00 C ATOM 1486 C SER A 97 23.773 17.154 14.647 1.00 0.00 C ATOM 1487 O SER A 97 24.961 16.873 14.495 1.00 0.00 O ATOM 1488 CB SER A 97 22.084 17.760 12.904 1.00 0.00 C ATOM 1489 OG SER A 97 21.905 18.633 11.801 1.00 0.00 O ATOM 0 H SER A 97 24.027 19.065 12.134 1.00 0.00 H new ATOM 0 HA SER A 97 22.653 18.975 14.583 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.388 16.776 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.136 17.631 13.427 1.00 0.00 H new ATOM 0 HG SER A 97 21.229 18.262 11.196 1.00 0.00 H new ATOM 1495 N GLY A 98 22.973 16.493 15.477 1.00 0.00 N ATOM 1496 CA GLY A 98 23.476 15.381 16.263 1.00 0.00 C ATOM 1497 C GLY A 98 24.251 15.838 17.483 1.00 0.00 C ATOM 1498 O GLY A 98 23.898 15.414 18.604 1.00 0.00 O ATOM 1499 OXT GLY A 98 25.213 16.618 17.318 1.00 0.00 O ATOM 0 H GLY A 98 21.986 16.707 15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 98 22.641 14.757 16.580 1.00 0.00 H new ATOM 0 HA3 GLY A 98 24.119 14.760 15.639 1.00 0.00 H new TER 1503 GLY A 98