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 72 SER OG : rot 180:sc= 0.353 USER MOD Set 1.2: A 83 GLN : amide:sc= -0.0753 X(o=0.28,f=0.57) USER MOD Set 2.1: A 23 CYS SG : rot 134:sc= 0.35 USER MOD Set 2.2: A 35 MET CE :methyl 171:sc= -0.961 (180deg=-1.37) USER MOD Set 2.3: A 97 CYS SG : rot -37:sc= -0.269 USER MOD Single : A 4 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.4) USER MOD Single : A 8 SER OG : rot 180:sc= -0.105 USER MOD Single : A 14 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 42:sc= 0.239 USER MOD Single : A 31 SER OG : rot 180:sc= -0.247 USER MOD Single : A 32 SER OG : rot -29:sc= 0.414 USER MOD Single : A 33 TYR OH : rot -130:sc= 0.754 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00562 F(o=-1.2,f=-0.0056) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0.318 (180deg=0.252) USER MOD Single : A 53 ASN : amide:sc= -0.926 K(o=-0.93,f=-2.6!) USER MOD Single : A 55 SER OG : rot -5:sc= 0.313 USER MOD Single : A 59 THR OG1 : rot 32:sc= 0.0431 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.862 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0.913 (180deg=0.0508) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0126 F(o=-1.7!,f=-0.013) 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 84 MET CE :methyl 174:sc= -0.109 (180deg=-0.147) USER MOD Single : A 85 ASN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 0.112 (180deg=0.00244) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.406 USER MOD Single : A 95 TYR OH : rot 180:sc= 0.393 USER MOD Single : A 96 ASN : amide:sc= 0.421 K(o=0.42,f=-3.3!) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0789 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0475 F(o=-2.5!,f=-0.047) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 118 GLN : amide:sc= 0.296 X(o=0.3,f=-0.015) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 2.385 -3.271 -6.614 1.00 0.00 N ATOM 38 CA LEU A 3 3.079 -3.929 -7.729 1.00 0.00 C ATOM 39 C LEU A 3 2.794 -3.131 -9.013 1.00 0.00 C ATOM 40 O LEU A 3 1.652 -3.081 -9.485 1.00 0.00 O ATOM 41 CB LEU A 3 2.614 -5.406 -7.847 1.00 0.00 C ATOM 42 CG LEU A 3 3.183 -6.234 -9.045 1.00 0.00 C ATOM 43 CD1 LEU A 3 4.725 -6.237 -9.083 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.625 -7.676 -9.023 1.00 0.00 C ATOM 0 HA LEU A 3 4.155 -3.947 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.880 -5.920 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.526 -5.415 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 3 2.850 -5.744 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.067 -6.826 -9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.089 -5.214 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.111 -6.673 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.032 -8.237 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.911 -8.162 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.538 -7.647 -9.099 1.00 0.00 H new ATOM 56 N GLN A 4 3.848 -2.486 -9.535 1.00 0.00 N ATOM 57 CA GLN A 4 3.792 -1.642 -10.738 1.00 0.00 C ATOM 58 C GLN A 4 4.113 -2.483 -11.984 1.00 0.00 C ATOM 59 O GLN A 4 5.210 -3.038 -12.091 1.00 0.00 O ATOM 60 CB GLN A 4 4.812 -0.478 -10.599 1.00 0.00 C ATOM 61 CG GLN A 4 4.821 0.523 -11.773 1.00 0.00 C ATOM 62 CD GLN A 4 5.881 1.623 -11.634 1.00 0.00 C ATOM 63 OE1 GLN A 4 6.267 2.000 -10.526 1.00 0.00 O ATOM 64 NE2 GLN A 4 6.337 2.161 -12.753 1.00 0.00 N ATOM 0 H GLN A 4 4.781 -2.537 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 4 2.789 -1.229 -10.846 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.597 0.066 -9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.811 -0.901 -10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.993 -0.021 -12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.837 0.986 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.998 1.827 -13.655 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.028 2.910 -12.714 1.00 0.00 H new ATOM 73 N LEU A 5 3.145 -2.582 -12.907 1.00 0.00 N ATOM 74 CA LEU A 5 3.298 -3.298 -14.188 1.00 0.00 C ATOM 75 C LEU A 5 3.229 -2.272 -15.337 1.00 0.00 C ATOM 76 O LEU A 5 2.267 -1.492 -15.426 1.00 0.00 O ATOM 77 CB LEU A 5 2.200 -4.395 -14.313 1.00 0.00 C ATOM 78 CG LEU A 5 2.213 -5.479 -13.178 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.003 -6.433 -13.281 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.551 -6.265 -13.160 1.00 0.00 C ATOM 0 H LEU A 5 2.223 -2.164 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 5 4.263 -3.802 -14.236 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.223 -3.911 -14.321 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.316 -4.896 -15.274 1.00 0.00 H new ATOM 0 HG LEU A 5 2.127 -4.950 -12.229 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.050 -7.168 -12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.080 -5.860 -13.196 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.024 -6.945 -14.243 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.526 -7.007 -12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.692 -6.766 -14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.376 -5.574 -12.987 1.00 0.00 H new ATOM 92 N VAL A 6 4.288 -2.233 -16.167 1.00 0.00 N ATOM 93 CA VAL A 6 4.419 -1.297 -17.297 1.00 0.00 C ATOM 94 C VAL A 6 4.486 -2.096 -18.607 1.00 0.00 C ATOM 95 O VAL A 6 5.521 -2.670 -18.941 1.00 0.00 O ATOM 96 CB VAL A 6 5.702 -0.389 -17.147 1.00 0.00 C ATOM 97 CG1 VAL A 6 5.868 0.565 -18.363 1.00 0.00 C ATOM 98 CG2 VAL A 6 5.680 0.397 -15.806 1.00 0.00 C ATOM 0 H VAL A 6 5.087 -2.860 -16.069 1.00 0.00 H new ATOM 0 HA VAL A 6 3.550 -0.639 -17.307 1.00 0.00 H new ATOM 0 HB VAL A 6 6.571 -1.046 -17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.761 1.176 -18.227 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.966 -0.023 -19.276 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.994 1.212 -18.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.576 1.013 -15.731 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.797 1.035 -15.773 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.652 -0.305 -14.973 1.00 0.00 H new ATOM 108 N GLU A 7 3.375 -2.117 -19.345 1.00 0.00 N ATOM 109 CA GLU A 7 3.252 -2.884 -20.584 1.00 0.00 C ATOM 110 C GLU A 7 3.833 -2.079 -21.752 1.00 0.00 C ATOM 111 O GLU A 7 3.760 -0.837 -21.769 1.00 0.00 O ATOM 112 CB GLU A 7 1.773 -3.286 -20.847 1.00 0.00 C ATOM 113 CG GLU A 7 1.104 -4.120 -19.720 1.00 0.00 C ATOM 114 CD GLU A 7 0.357 -3.278 -18.660 1.00 0.00 C ATOM 115 OE1 GLU A 7 0.972 -2.421 -17.998 1.00 0.00 O ATOM 116 OE2 GLU A 7 -0.860 -3.473 -18.487 1.00 0.00 O ATOM 0 H GLU A 7 2.531 -1.600 -19.098 1.00 0.00 H new ATOM 0 HA GLU A 7 3.822 -3.808 -20.486 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.189 -2.379 -21.001 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.728 -3.856 -21.775 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.401 -4.820 -20.171 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.870 -4.714 -19.221 1.00 0.00 H new ATOM 123 N SER A 8 4.403 -2.805 -22.719 1.00 0.00 N ATOM 124 CA SER A 8 5.157 -2.239 -23.846 1.00 0.00 C ATOM 125 C SER A 8 5.282 -3.295 -24.964 1.00 0.00 C ATOM 126 O SER A 8 4.780 -4.419 -24.827 1.00 0.00 O ATOM 127 CB SER A 8 6.552 -1.757 -23.352 1.00 0.00 C ATOM 128 OG SER A 8 7.215 -2.768 -22.604 1.00 0.00 O ATOM 0 H SER A 8 4.353 -3.824 -22.742 1.00 0.00 H new ATOM 0 HA SER A 8 4.630 -1.377 -24.254 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.165 -1.474 -24.208 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.434 -0.865 -22.736 1.00 0.00 H new ATOM 0 HG SER A 8 8.089 -2.437 -22.309 1.00 0.00 H new ATOM 134 N GLY A 9 5.926 -2.913 -26.083 1.00 0.00 N ATOM 135 CA GLY A 9 6.137 -3.813 -27.231 1.00 0.00 C ATOM 136 C GLY A 9 4.909 -3.938 -28.142 1.00 0.00 C ATOM 137 O GLY A 9 4.909 -4.739 -29.081 1.00 0.00 O ATOM 0 H GLY A 9 6.312 -1.978 -26.216 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.980 -3.449 -27.818 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.409 -4.802 -26.862 1.00 0.00 H new ATOM 141 N GLY A 10 3.860 -3.143 -27.848 1.00 0.00 N ATOM 142 CA GLY A 10 2.614 -3.154 -28.620 1.00 0.00 C ATOM 143 C GLY A 10 2.763 -2.454 -29.967 1.00 0.00 C ATOM 144 O GLY A 10 3.365 -1.373 -30.041 1.00 0.00 O ATOM 0 H GLY A 10 3.858 -2.481 -27.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.298 -4.185 -28.781 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.828 -2.666 -28.044 1.00 0.00 H new ATOM 148 N GLY A 11 2.222 -3.080 -31.023 1.00 0.00 N ATOM 149 CA GLY A 11 2.317 -2.561 -32.383 1.00 0.00 C ATOM 150 C GLY A 11 1.352 -3.250 -33.329 1.00 0.00 C ATOM 151 O GLY A 11 0.620 -4.164 -32.925 1.00 0.00 O ATOM 0 H GLY A 11 1.708 -3.958 -30.952 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.114 -1.490 -32.376 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.336 -2.690 -32.749 1.00 0.00 H new ATOM 155 N LEU A 12 1.352 -2.806 -34.599 1.00 0.00 N ATOM 156 CA LEU A 12 0.492 -3.366 -35.660 1.00 0.00 C ATOM 157 C LEU A 12 1.271 -4.375 -36.528 1.00 0.00 C ATOM 158 O LEU A 12 2.451 -4.167 -36.830 1.00 0.00 O ATOM 159 CB LEU A 12 -0.186 -2.217 -36.490 1.00 0.00 C ATOM 160 CG LEU A 12 0.703 -0.997 -36.937 1.00 0.00 C ATOM 161 CD1 LEU A 12 1.629 -1.320 -38.131 1.00 0.00 C ATOM 162 CD2 LEU A 12 -0.166 0.257 -37.225 1.00 0.00 C ATOM 0 H LEU A 12 1.951 -2.045 -34.921 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.319 -3.930 -35.200 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.614 -2.663 -37.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.016 -1.826 -35.901 1.00 0.00 H new ATOM 0 HG LEU A 12 1.359 -0.777 -36.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.213 -0.436 -38.388 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.302 -2.134 -37.860 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.026 -1.618 -38.989 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.477 1.082 -37.531 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.874 0.033 -38.023 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.711 0.537 -36.323 1.00 0.00 H new ATOM 174 N VAL A 13 0.599 -5.484 -36.880 1.00 0.00 N ATOM 175 CA VAL A 13 1.153 -6.560 -37.725 1.00 0.00 C ATOM 176 C VAL A 13 -0.006 -7.230 -38.487 1.00 0.00 C ATOM 177 O VAL A 13 -1.124 -7.227 -38.006 1.00 0.00 O ATOM 178 CB VAL A 13 1.962 -7.610 -36.857 1.00 0.00 C ATOM 179 CG1 VAL A 13 1.058 -8.305 -35.812 1.00 0.00 C ATOM 180 CG2 VAL A 13 2.713 -8.645 -37.740 1.00 0.00 C ATOM 0 H VAL A 13 -0.360 -5.663 -36.582 1.00 0.00 H new ATOM 0 HA VAL A 13 1.859 -6.138 -38.441 1.00 0.00 H new ATOM 0 HB VAL A 13 2.720 -7.049 -36.311 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.649 -9.018 -35.236 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.637 -7.557 -35.140 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.251 -8.831 -36.322 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.253 -9.344 -37.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.994 -9.192 -38.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.419 -8.126 -38.388 1.00 0.00 H new ATOM 190 N GLN A 14 0.266 -7.780 -39.678 1.00 0.00 N ATOM 191 CA GLN A 14 -0.765 -8.404 -40.539 1.00 0.00 C ATOM 192 C GLN A 14 -1.294 -9.731 -39.951 1.00 0.00 C ATOM 193 O GLN A 14 -0.644 -10.355 -39.098 1.00 0.00 O ATOM 194 CB GLN A 14 -0.207 -8.622 -41.979 1.00 0.00 C ATOM 195 CG GLN A 14 -0.163 -7.345 -42.866 1.00 0.00 C ATOM 196 CD GLN A 14 0.702 -6.194 -42.323 1.00 0.00 C ATOM 197 OE1 GLN A 14 1.712 -6.412 -41.655 1.00 0.00 O ATOM 198 NE2 GLN A 14 0.306 -4.960 -42.607 1.00 0.00 N ATOM 0 H GLN A 14 1.204 -7.808 -40.077 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.611 -7.718 -40.585 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.801 -9.029 -41.904 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.818 -9.373 -42.480 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.208 -7.621 -43.853 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.181 -6.980 -42.999 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.536 -4.810 -43.163 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.843 -4.162 -42.269 1.00 0.00 H new ATOM 207 N ALA A 15 -2.497 -10.132 -40.419 1.00 0.00 N ATOM 208 CA ALA A 15 -3.145 -11.401 -40.032 1.00 0.00 C ATOM 209 C ALA A 15 -2.303 -12.614 -40.493 1.00 0.00 C ATOM 210 O ALA A 15 -2.007 -12.755 -41.688 1.00 0.00 O ATOM 211 CB ALA A 15 -4.571 -11.464 -40.608 1.00 0.00 C ATOM 0 H ALA A 15 -3.046 -9.581 -41.078 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.211 -11.441 -38.945 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.040 -12.404 -40.317 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.157 -10.631 -40.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.527 -11.402 -41.695 1.00 0.00 H new ATOM 217 N GLY A 16 -1.910 -13.458 -39.521 1.00 0.00 N ATOM 218 CA GLY A 16 -1.002 -14.592 -39.749 1.00 0.00 C ATOM 219 C GLY A 16 0.439 -14.272 -39.334 1.00 0.00 C ATOM 220 O GLY A 16 1.303 -15.158 -39.338 1.00 0.00 O ATOM 0 H GLY A 16 -2.216 -13.370 -38.552 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.356 -15.457 -39.189 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.022 -14.865 -40.804 1.00 0.00 H new ATOM 224 N GLY A 17 0.680 -12.997 -38.966 1.00 0.00 N ATOM 225 CA GLY A 17 1.996 -12.528 -38.520 1.00 0.00 C ATOM 226 C GLY A 17 2.248 -12.782 -37.034 1.00 0.00 C ATOM 227 O GLY A 17 1.534 -13.567 -36.394 1.00 0.00 O ATOM 0 H GLY A 17 -0.035 -12.269 -38.972 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.770 -13.025 -39.104 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.082 -11.460 -38.720 1.00 0.00 H new ATOM 231 N SER A 18 3.266 -12.110 -36.476 1.00 0.00 N ATOM 232 CA SER A 18 3.702 -12.316 -35.086 1.00 0.00 C ATOM 233 C SER A 18 4.266 -11.013 -34.492 1.00 0.00 C ATOM 234 O SER A 18 4.738 -10.135 -35.228 1.00 0.00 O ATOM 235 CB SER A 18 4.741 -13.464 -35.042 1.00 0.00 C ATOM 236 OG SER A 18 5.787 -13.260 -35.976 1.00 0.00 O ATOM 0 H SER A 18 3.811 -11.408 -36.976 1.00 0.00 H new ATOM 0 HA SER A 18 2.846 -12.600 -34.473 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.159 -13.538 -34.038 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.245 -14.412 -35.252 1.00 0.00 H new ATOM 0 HG SER A 18 6.425 -14.002 -35.920 1.00 0.00 H new ATOM 242 N LEU A 19 4.221 -10.914 -33.152 1.00 0.00 N ATOM 243 CA LEU A 19 4.621 -9.711 -32.399 1.00 0.00 C ATOM 244 C LEU A 19 5.077 -10.122 -30.985 1.00 0.00 C ATOM 245 O LEU A 19 4.435 -10.963 -30.351 1.00 0.00 O ATOM 246 CB LEU A 19 3.421 -8.720 -32.315 1.00 0.00 C ATOM 247 CG LEU A 19 3.693 -7.349 -31.613 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.694 -6.487 -32.418 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.372 -6.589 -31.341 1.00 0.00 C ATOM 0 H LEU A 19 3.902 -11.676 -32.554 1.00 0.00 H new ATOM 0 HA LEU A 19 5.447 -9.216 -32.909 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.072 -8.521 -33.328 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.605 -9.216 -31.789 1.00 0.00 H new ATOM 0 HG LEU A 19 4.155 -7.558 -30.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.859 -5.542 -31.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.640 -7.020 -32.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.289 -6.291 -33.411 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.592 -5.640 -30.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.859 -6.401 -32.284 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.733 -7.190 -30.694 1.00 0.00 H new ATOM 261 N ARG A 20 6.195 -9.545 -30.507 1.00 0.00 N ATOM 262 CA ARG A 20 6.674 -9.752 -29.127 1.00 0.00 C ATOM 263 C ARG A 20 6.262 -8.566 -28.242 1.00 0.00 C ATOM 264 O ARG A 20 6.428 -7.398 -28.615 1.00 0.00 O ATOM 265 CB ARG A 20 8.214 -9.948 -29.067 1.00 0.00 C ATOM 266 CG ARG A 20 8.764 -10.173 -27.629 1.00 0.00 C ATOM 267 CD ARG A 20 10.293 -10.294 -27.575 1.00 0.00 C ATOM 268 NE ARG A 20 10.786 -11.475 -28.303 1.00 0.00 N ATOM 269 CZ ARG A 20 12.068 -11.717 -28.605 1.00 0.00 C ATOM 270 NH1 ARG A 20 13.021 -10.846 -28.289 1.00 0.00 N ATOM 271 NH2 ARG A 20 12.383 -12.835 -29.237 1.00 0.00 N ATOM 0 H ARG A 20 6.788 -8.927 -31.061 1.00 0.00 H new ATOM 0 HA ARG A 20 6.211 -10.666 -28.754 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.486 -10.802 -29.688 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.699 -9.072 -29.498 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.450 -9.345 -26.994 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.320 -11.079 -27.215 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.742 -9.395 -27.999 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.614 -10.351 -26.535 1.00 0.00 H new ATOM 0 HE ARG A 20 10.096 -12.164 -28.601 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.780 -9.978 -27.809 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.993 -11.045 -28.526 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.653 -13.501 -29.489 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.356 -13.031 -29.473 1.00 0.00 H new ATOM 285 N LEU A 21 5.720 -8.898 -27.068 1.00 0.00 N ATOM 286 CA LEU A 21 5.287 -7.938 -26.045 1.00 0.00 C ATOM 287 C LEU A 21 6.271 -7.952 -24.871 1.00 0.00 C ATOM 288 O LEU A 21 7.039 -8.904 -24.705 1.00 0.00 O ATOM 289 CB LEU A 21 3.839 -8.256 -25.558 1.00 0.00 C ATOM 290 CG LEU A 21 2.669 -7.814 -26.488 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.655 -6.291 -26.649 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.712 -8.527 -27.857 1.00 0.00 C ATOM 0 H LEU A 21 5.565 -9.868 -26.793 1.00 0.00 H new ATOM 0 HA LEU A 21 5.276 -6.940 -26.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.762 -9.332 -25.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.697 -7.784 -24.586 1.00 0.00 H new ATOM 0 HG LEU A 21 1.737 -8.116 -26.010 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.831 -6.002 -27.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.526 -5.823 -25.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.598 -5.963 -27.087 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.878 -8.187 -28.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.651 -8.294 -28.359 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.638 -9.604 -27.709 1.00 0.00 H new ATOM 304 N SER A 22 6.249 -6.873 -24.086 1.00 0.00 N ATOM 305 CA SER A 22 7.123 -6.688 -22.924 1.00 0.00 C ATOM 306 C SER A 22 6.322 -6.096 -21.752 1.00 0.00 C ATOM 307 O SER A 22 5.291 -5.443 -21.957 1.00 0.00 O ATOM 308 CB SER A 22 8.307 -5.765 -23.303 1.00 0.00 C ATOM 309 OG SER A 22 9.119 -5.458 -22.177 1.00 0.00 O ATOM 0 H SER A 22 5.614 -6.090 -24.242 1.00 0.00 H new ATOM 0 HA SER A 22 7.521 -7.654 -22.613 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.914 -6.249 -24.068 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.923 -4.842 -23.737 1.00 0.00 H new ATOM 0 HG SER A 22 9.856 -4.875 -22.455 1.00 0.00 H new ATOM 315 N CYS A 23 6.818 -6.330 -20.529 1.00 0.00 N ATOM 316 CA CYS A 23 6.223 -5.816 -19.290 1.00 0.00 C ATOM 317 C CYS A 23 7.325 -5.615 -18.232 1.00 0.00 C ATOM 318 O CYS A 23 7.943 -6.578 -17.783 1.00 0.00 O ATOM 319 CB CYS A 23 5.128 -6.774 -18.761 1.00 0.00 C ATOM 320 SG CYS A 23 4.321 -6.213 -17.238 1.00 0.00 S ATOM 0 H CYS A 23 7.656 -6.890 -20.372 1.00 0.00 H new ATOM 0 HA CYS A 23 5.750 -4.857 -19.500 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.370 -6.903 -19.534 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.573 -7.753 -18.584 1.00 0.00 H new ATOM 0 HG CYS A 23 3.033 -6.350 -17.353 1.00 0.00 H new ATOM 326 N ALA A 24 7.579 -4.352 -17.862 1.00 0.00 N ATOM 327 CA ALA A 24 8.537 -3.985 -16.816 1.00 0.00 C ATOM 328 C ALA A 24 7.844 -4.075 -15.447 1.00 0.00 C ATOM 329 O ALA A 24 6.873 -3.349 -15.192 1.00 0.00 O ATOM 330 CB ALA A 24 9.072 -2.563 -17.075 1.00 0.00 C ATOM 0 H ALA A 24 7.118 -3.548 -18.288 1.00 0.00 H new ATOM 0 HA ALA A 24 9.384 -4.671 -16.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.784 -2.294 -16.295 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.568 -2.532 -18.045 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.243 -1.856 -17.069 1.00 0.00 H new ATOM 336 N ALA A 25 8.340 -4.969 -14.579 1.00 0.00 N ATOM 337 CA ALA A 25 7.750 -5.222 -13.257 1.00 0.00 C ATOM 338 C ALA A 25 8.627 -4.583 -12.166 1.00 0.00 C ATOM 339 O ALA A 25 9.839 -4.834 -12.095 1.00 0.00 O ATOM 340 CB ALA A 25 7.591 -6.737 -13.032 1.00 0.00 C ATOM 0 H ALA A 25 9.164 -5.538 -14.775 1.00 0.00 H new ATOM 0 HA ALA A 25 6.760 -4.770 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.153 -6.915 -12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.939 -7.153 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.568 -7.217 -13.086 1.00 0.00 H new ATOM 346 N SER A 26 7.995 -3.730 -11.352 1.00 0.00 N ATOM 347 CA SER A 26 8.626 -3.003 -10.239 1.00 0.00 C ATOM 348 C SER A 26 7.646 -2.933 -9.048 1.00 0.00 C ATOM 349 O SER A 26 6.541 -3.484 -9.113 1.00 0.00 O ATOM 350 CB SER A 26 9.049 -1.582 -10.703 1.00 0.00 C ATOM 351 OG SER A 26 10.022 -1.643 -11.739 1.00 0.00 O ATOM 0 H SER A 26 7.002 -3.519 -11.450 1.00 0.00 H new ATOM 0 HA SER A 26 9.523 -3.532 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.173 -1.037 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.451 -1.026 -9.856 1.00 0.00 H new ATOM 0 HG SER A 26 10.267 -0.734 -12.011 1.00 0.00 H new ATOM 357 N GLY A 27 8.066 -2.261 -7.963 1.00 0.00 N ATOM 358 CA GLY A 27 7.270 -2.176 -6.734 1.00 0.00 C ATOM 359 C GLY A 27 7.442 -3.434 -5.891 1.00 0.00 C ATOM 360 O GLY A 27 8.559 -3.731 -5.468 1.00 0.00 O ATOM 0 H GLY A 27 8.957 -1.767 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.574 -1.302 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.218 -2.042 -6.985 1.00 0.00 H new ATOM 364 N ARG A 28 6.354 -4.198 -5.669 1.00 0.00 N ATOM 365 CA ARG A 28 6.425 -5.507 -4.972 1.00 0.00 C ATOM 366 C ARG A 28 7.142 -6.552 -5.846 1.00 0.00 C ATOM 367 O ARG A 28 7.142 -6.448 -7.078 1.00 0.00 O ATOM 368 CB ARG A 28 5.011 -6.025 -4.587 1.00 0.00 C ATOM 369 CG ARG A 28 4.316 -5.231 -3.458 1.00 0.00 C ATOM 370 CD ARG A 28 2.985 -5.877 -3.028 1.00 0.00 C ATOM 371 NE ARG A 28 2.389 -5.219 -1.850 1.00 0.00 N ATOM 372 CZ ARG A 28 1.361 -5.692 -1.132 1.00 0.00 C ATOM 373 NH1 ARG A 28 0.787 -6.848 -1.434 1.00 0.00 N ATOM 374 NH2 ARG A 28 0.896 -4.988 -0.116 1.00 0.00 N ATOM 0 H ARG A 28 5.413 -3.935 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 28 6.996 -5.356 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.377 -6.001 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.092 -7.068 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.982 -5.167 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.131 -4.211 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.280 -5.835 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.152 -6.931 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 28 2.793 -4.329 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.127 -7.395 -2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.006 -7.191 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.319 -4.090 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.114 -5.342 0.434 1.00 0.00 H new ATOM 388 N THR A 29 7.749 -7.557 -5.193 1.00 0.00 N ATOM 389 CA THR A 29 8.426 -8.657 -5.880 1.00 0.00 C ATOM 390 C THR A 29 7.386 -9.542 -6.596 1.00 0.00 C ATOM 391 O THR A 29 6.624 -10.258 -5.951 1.00 0.00 O ATOM 392 CB THR A 29 9.288 -9.506 -4.880 1.00 0.00 C ATOM 393 OG1 THR A 29 8.489 -9.895 -3.751 1.00 0.00 O ATOM 394 CG2 THR A 29 10.532 -8.739 -4.387 1.00 0.00 C ATOM 0 H THR A 29 7.781 -7.625 -4.176 1.00 0.00 H new ATOM 0 HA THR A 29 9.105 -8.238 -6.622 1.00 0.00 H new ATOM 0 HB THR A 29 9.632 -10.389 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.599 -10.167 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.097 -9.367 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.160 -8.479 -5.239 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.219 -7.829 -3.876 1.00 0.00 H new ATOM 402 N PHE A 30 7.345 -9.445 -7.945 1.00 0.00 N ATOM 403 CA PHE A 30 6.463 -10.280 -8.793 1.00 0.00 C ATOM 404 C PHE A 30 6.859 -11.776 -8.699 1.00 0.00 C ATOM 405 O PHE A 30 6.116 -12.645 -9.132 1.00 0.00 O ATOM 406 CB PHE A 30 6.497 -9.790 -10.273 1.00 0.00 C ATOM 407 CG PHE A 30 7.747 -10.204 -11.056 1.00 0.00 C ATOM 408 CD1 PHE A 30 7.663 -11.090 -12.136 1.00 0.00 C ATOM 409 CD2 PHE A 30 9.010 -9.736 -10.691 1.00 0.00 C ATOM 410 CE1 PHE A 30 8.795 -11.490 -12.820 1.00 0.00 C ATOM 411 CE2 PHE A 30 10.136 -10.134 -11.377 1.00 0.00 C ATOM 412 CZ PHE A 30 10.027 -11.011 -12.441 1.00 0.00 C ATOM 0 H PHE A 30 7.919 -8.789 -8.474 1.00 0.00 H new ATOM 0 HA PHE A 30 5.443 -10.178 -8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.618 -10.175 -10.789 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.422 -8.703 -10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.698 -11.467 -12.440 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.106 -9.053 -9.860 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.712 -12.177 -13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.106 -9.761 -11.084 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.913 -11.321 -12.976 1.00 0.00 H new ATOM 422 N SER A 31 8.063 -12.035 -8.153 1.00 0.00 N ATOM 423 CA SER A 31 8.555 -13.387 -7.839 1.00 0.00 C ATOM 424 C SER A 31 7.795 -14.030 -6.637 1.00 0.00 C ATOM 425 O SER A 31 8.045 -15.181 -6.278 1.00 0.00 O ATOM 426 CB SER A 31 10.074 -13.320 -7.574 1.00 0.00 C ATOM 427 OG SER A 31 10.386 -12.367 -6.567 1.00 0.00 O ATOM 0 H SER A 31 8.729 -11.300 -7.915 1.00 0.00 H new ATOM 0 HA SER A 31 8.363 -14.033 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.435 -14.303 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.594 -13.060 -8.496 1.00 0.00 H new ATOM 0 HG SER A 31 11.355 -12.350 -6.422 1.00 0.00 H new ATOM 433 N SER A 32 6.878 -13.263 -6.022 1.00 0.00 N ATOM 434 CA SER A 32 5.947 -13.745 -4.985 1.00 0.00 C ATOM 435 C SER A 32 4.498 -13.791 -5.548 1.00 0.00 C ATOM 436 O SER A 32 3.538 -14.045 -4.808 1.00 0.00 O ATOM 437 CB SER A 32 6.055 -12.795 -3.762 1.00 0.00 C ATOM 438 OG SER A 32 5.210 -13.192 -2.689 1.00 0.00 O ATOM 0 H SER A 32 6.760 -12.272 -6.235 1.00 0.00 H new ATOM 0 HA SER A 32 6.204 -14.758 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.088 -12.769 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.796 -11.782 -4.069 1.00 0.00 H new ATOM 0 HG SER A 32 4.423 -13.654 -3.046 1.00 0.00 H new ATOM 444 N TYR A 33 4.359 -13.556 -6.872 1.00 0.00 N ATOM 445 CA TYR A 33 3.051 -13.415 -7.560 1.00 0.00 C ATOM 446 C TYR A 33 3.037 -14.193 -8.888 1.00 0.00 C ATOM 447 O TYR A 33 4.086 -14.469 -9.478 1.00 0.00 O ATOM 448 CB TYR A 33 2.736 -11.911 -7.849 1.00 0.00 C ATOM 449 CG TYR A 33 2.466 -11.070 -6.596 1.00 0.00 C ATOM 450 CD1 TYR A 33 3.487 -10.378 -5.939 1.00 0.00 C ATOM 451 CD2 TYR A 33 1.185 -10.988 -6.052 1.00 0.00 C ATOM 452 CE1 TYR A 33 3.238 -9.649 -4.790 1.00 0.00 C ATOM 453 CE2 TYR A 33 0.931 -10.255 -4.911 1.00 0.00 C ATOM 454 CZ TYR A 33 1.959 -9.590 -4.282 1.00 0.00 C ATOM 455 OH TYR A 33 1.706 -8.881 -3.130 1.00 0.00 O ATOM 0 H TYR A 33 5.157 -13.458 -7.500 1.00 0.00 H new ATOM 0 HA TYR A 33 2.290 -13.825 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.574 -11.474 -8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.867 -11.854 -8.505 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.491 -10.413 -6.336 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.372 -11.510 -6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.043 -9.128 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.071 -10.203 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 33 1.197 -9.440 -2.507 1.00 0.00 H new ATOM 465 N ALA A 34 1.827 -14.553 -9.336 1.00 0.00 N ATOM 466 CA ALA A 34 1.579 -15.025 -10.704 1.00 0.00 C ATOM 467 C ALA A 34 0.874 -13.903 -11.473 1.00 0.00 C ATOM 468 O ALA A 34 -0.070 -13.293 -10.952 1.00 0.00 O ATOM 469 CB ALA A 34 0.740 -16.313 -10.699 1.00 0.00 C ATOM 0 H ALA A 34 0.988 -14.525 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 34 2.523 -15.268 -11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.571 -16.641 -11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.272 -17.092 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.218 -16.121 -10.217 1.00 0.00 H new ATOM 475 N MET A 35 1.348 -13.617 -12.694 1.00 0.00 N ATOM 476 CA MET A 35 0.820 -12.523 -13.532 1.00 0.00 C ATOM 477 C MET A 35 0.243 -13.101 -14.827 1.00 0.00 C ATOM 478 O MET A 35 0.809 -14.032 -15.401 1.00 0.00 O ATOM 479 CB MET A 35 1.932 -11.484 -13.877 1.00 0.00 C ATOM 480 CG MET A 35 1.404 -10.168 -14.504 1.00 0.00 C ATOM 481 SD MET A 35 2.606 -9.368 -15.586 1.00 0.00 S ATOM 482 CE MET A 35 2.556 -10.479 -16.994 1.00 0.00 C ATOM 0 H MET A 35 2.109 -14.136 -13.132 1.00 0.00 H new ATOM 0 HA MET A 35 0.038 -12.012 -12.969 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.483 -11.244 -12.968 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.640 -11.943 -14.567 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.498 -10.381 -15.072 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.126 -9.479 -13.707 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.120 -10.046 -17.820 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.996 -11.437 -16.717 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.521 -10.630 -17.302 1.00 0.00 H new ATOM 492 N GLY A 36 -0.869 -12.522 -15.288 1.00 0.00 N ATOM 493 CA GLY A 36 -1.519 -12.933 -16.524 1.00 0.00 C ATOM 494 C GLY A 36 -1.759 -11.770 -17.464 1.00 0.00 C ATOM 495 O GLY A 36 -1.871 -10.626 -17.029 1.00 0.00 O ATOM 0 H GLY A 36 -1.341 -11.754 -14.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.903 -13.680 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.471 -13.410 -16.290 1.00 0.00 H new ATOM 499 N TRP A 37 -1.836 -12.074 -18.764 1.00 0.00 N ATOM 500 CA TRP A 37 -2.187 -11.111 -19.812 1.00 0.00 C ATOM 501 C TRP A 37 -3.686 -11.258 -20.118 1.00 0.00 C ATOM 502 O TRP A 37 -4.178 -12.367 -20.343 1.00 0.00 O ATOM 503 CB TRP A 37 -1.327 -11.355 -21.087 1.00 0.00 C ATOM 504 CG TRP A 37 0.161 -11.141 -20.871 1.00 0.00 C ATOM 505 CD1 TRP A 37 1.030 -11.976 -20.220 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.947 -10.014 -21.309 1.00 0.00 C ATOM 507 NE1 TRP A 37 2.296 -11.447 -20.236 1.00 0.00 N ATOM 508 CE2 TRP A 37 2.272 -10.243 -20.892 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.657 -8.835 -22.020 1.00 0.00 C ATOM 510 CZ2 TRP A 37 3.306 -9.341 -21.153 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.683 -7.939 -22.276 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.996 -8.199 -21.847 1.00 0.00 C ATOM 0 H TRP A 37 -1.653 -13.011 -19.123 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.982 -10.095 -19.474 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.491 -12.375 -21.436 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.670 -10.688 -21.878 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.758 -12.915 -19.761 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.123 -11.880 -19.825 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.348 -8.632 -22.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.315 -9.536 -20.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.470 -7.027 -22.814 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.776 -7.486 -22.068 1.00 0.00 H new ATOM 523 N PHE A 38 -4.395 -10.134 -20.027 1.00 0.00 N ATOM 524 CA PHE A 38 -5.826 -10.004 -20.345 1.00 0.00 C ATOM 525 C PHE A 38 -5.963 -8.946 -21.448 1.00 0.00 C ATOM 526 O PHE A 38 -5.048 -8.153 -21.628 1.00 0.00 O ATOM 527 CB PHE A 38 -6.616 -9.582 -19.071 1.00 0.00 C ATOM 528 CG PHE A 38 -6.565 -10.590 -17.919 1.00 0.00 C ATOM 529 CD1 PHE A 38 -5.447 -10.684 -17.088 1.00 0.00 C ATOM 530 CD2 PHE A 38 -7.638 -11.448 -17.669 1.00 0.00 C ATOM 531 CE1 PHE A 38 -5.406 -11.601 -16.050 1.00 0.00 C ATOM 532 CE2 PHE A 38 -7.596 -12.361 -16.633 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.477 -12.439 -15.825 1.00 0.00 C ATOM 0 H PHE A 38 -3.979 -9.255 -19.719 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.235 -10.954 -20.689 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.225 -8.628 -18.718 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.658 -9.417 -19.345 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.602 -10.033 -17.257 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.516 -11.397 -18.296 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.533 -11.659 -15.416 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.438 -13.014 -16.454 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.442 -13.156 -15.018 1.00 0.00 H new ATOM 543 N ARG A 39 -7.085 -8.923 -22.190 1.00 0.00 N ATOM 544 CA ARG A 39 -7.271 -7.929 -23.285 1.00 0.00 C ATOM 545 C ARG A 39 -8.698 -7.389 -23.323 1.00 0.00 C ATOM 546 O ARG A 39 -9.609 -8.007 -22.778 1.00 0.00 O ATOM 547 CB ARG A 39 -6.919 -8.537 -24.669 1.00 0.00 C ATOM 548 CG ARG A 39 -7.955 -9.548 -25.223 1.00 0.00 C ATOM 549 CD ARG A 39 -7.585 -10.081 -26.607 1.00 0.00 C ATOM 550 NE ARG A 39 -8.584 -11.021 -27.151 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.348 -11.882 -28.154 1.00 0.00 C ATOM 552 NH1 ARG A 39 -7.116 -12.041 -28.624 1.00 0.00 N ATOM 553 NH2 ARG A 39 -9.340 -12.604 -28.658 1.00 0.00 N ATOM 0 H ARG A 39 -7.868 -9.564 -22.063 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.589 -7.105 -23.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.806 -7.725 -25.388 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.952 -9.034 -24.595 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.046 -10.384 -24.530 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.932 -9.068 -25.273 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.472 -9.243 -27.294 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.618 -10.580 -26.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.516 -11.016 -26.737 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.344 -11.508 -28.223 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.941 -12.696 -29.386 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.284 -12.506 -28.284 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.159 -13.258 -29.420 1.00 0.00 H new ATOM 567 N GLN A 40 -8.855 -6.245 -24.009 1.00 0.00 N ATOM 568 CA GLN A 40 -10.161 -5.632 -24.298 1.00 0.00 C ATOM 569 C GLN A 40 -10.022 -4.556 -25.386 1.00 0.00 C ATOM 570 O GLN A 40 -8.954 -3.978 -25.531 1.00 0.00 O ATOM 571 CB GLN A 40 -10.774 -4.983 -23.029 1.00 0.00 C ATOM 572 CG GLN A 40 -9.898 -3.898 -22.361 1.00 0.00 C ATOM 573 CD GLN A 40 -10.659 -2.986 -21.388 1.00 0.00 C ATOM 574 OE1 GLN A 40 -11.693 -3.503 -20.734 1.00 0.00 O flip ATOM 575 NE2 GLN A 40 -10.305 -1.824 -21.218 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.069 -5.714 -24.383 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.821 -6.427 -24.645 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.735 -4.541 -23.293 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.974 -5.767 -22.299 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.084 -4.384 -21.824 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.445 -3.283 -23.139 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.507 -1.453 -21.734 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.809 -1.228 -20.561 1.00 0.00 H new ATOM 584 N ALA A 41 -11.124 -4.327 -26.133 1.00 0.00 N ATOM 585 CA ALA A 41 -11.303 -3.185 -27.075 1.00 0.00 C ATOM 586 C ALA A 41 -12.630 -3.351 -27.878 1.00 0.00 C ATOM 587 O ALA A 41 -13.468 -2.441 -27.840 1.00 0.00 O ATOM 588 CB ALA A 41 -10.112 -2.937 -28.039 1.00 0.00 C ATOM 0 H ALA A 41 -11.937 -4.942 -26.102 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.349 -2.296 -26.446 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.337 -2.087 -28.684 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.213 -2.726 -27.460 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.949 -3.824 -28.651 1.00 0.00 H new ATOM 594 N PRO A 42 -12.869 -4.508 -28.624 1.00 0.00 N ATOM 595 CA PRO A 42 -14.098 -4.682 -29.423 1.00 0.00 C ATOM 596 C PRO A 42 -15.255 -5.292 -28.587 1.00 0.00 C ATOM 597 O PRO A 42 -15.502 -6.508 -28.620 1.00 0.00 O ATOM 598 CB PRO A 42 -13.608 -5.598 -30.578 1.00 0.00 C ATOM 599 CG PRO A 42 -12.569 -6.489 -29.952 1.00 0.00 C ATOM 600 CD PRO A 42 -11.982 -5.714 -28.768 1.00 0.00 C ATOM 0 HA PRO A 42 -14.532 -3.750 -29.785 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.429 -6.181 -30.995 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.186 -5.012 -31.395 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.013 -7.427 -29.619 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.791 -6.743 -30.673 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.983 -6.317 -27.860 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.948 -5.425 -28.957 1.00 0.00 H new ATOM 608 N GLY A 43 -15.931 -4.424 -27.799 1.00 0.00 N ATOM 609 CA GLY A 43 -17.064 -4.847 -26.958 1.00 0.00 C ATOM 610 C GLY A 43 -16.657 -5.785 -25.819 1.00 0.00 C ATOM 611 O GLY A 43 -17.465 -6.597 -25.352 1.00 0.00 O ATOM 0 H GLY A 43 -15.709 -3.431 -27.731 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.545 -3.964 -26.537 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.805 -5.346 -27.583 1.00 0.00 H new ATOM 615 N LYS A 44 -15.390 -5.667 -25.387 1.00 0.00 N ATOM 616 CA LYS A 44 -14.748 -6.600 -24.439 1.00 0.00 C ATOM 617 C LYS A 44 -14.386 -5.913 -23.107 1.00 0.00 C ATOM 618 O LYS A 44 -14.095 -4.709 -23.066 1.00 0.00 O ATOM 619 CB LYS A 44 -13.459 -7.183 -25.088 1.00 0.00 C ATOM 620 CG LYS A 44 -13.689 -8.168 -26.255 1.00 0.00 C ATOM 621 CD LYS A 44 -14.246 -9.524 -25.775 1.00 0.00 C ATOM 622 CE LYS A 44 -14.293 -10.588 -26.890 1.00 0.00 C ATOM 623 NZ LYS A 44 -14.490 -11.950 -26.332 1.00 0.00 N ATOM 0 H LYS A 44 -14.773 -4.913 -25.689 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.459 -7.396 -24.218 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.849 -6.355 -25.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.882 -7.691 -24.315 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.383 -7.725 -26.970 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.749 -8.330 -26.782 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.630 -9.893 -24.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.251 -9.377 -25.378 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.103 -10.356 -27.582 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.366 -10.558 -27.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.720 -12.611 -27.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.618 -12.260 -25.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.271 -11.934 -25.645 1.00 0.00 H new ATOM 637 N GLU A 45 -14.429 -6.714 -22.028 1.00 0.00 N ATOM 638 CA GLU A 45 -13.765 -6.420 -20.739 1.00 0.00 C ATOM 639 C GLU A 45 -12.423 -7.191 -20.728 1.00 0.00 C ATOM 640 O GLU A 45 -12.120 -7.895 -21.706 1.00 0.00 O ATOM 641 CB GLU A 45 -14.652 -6.834 -19.513 1.00 0.00 C ATOM 642 CG GLU A 45 -14.790 -8.357 -19.235 1.00 0.00 C ATOM 643 CD GLU A 45 -15.561 -9.124 -20.322 1.00 0.00 C ATOM 644 OE1 GLU A 45 -16.805 -9.218 -20.227 1.00 0.00 O ATOM 645 OE2 GLU A 45 -14.934 -9.617 -21.286 1.00 0.00 O ATOM 0 H GLU A 45 -14.934 -7.600 -22.024 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.601 -5.346 -20.647 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.242 -6.361 -18.621 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.651 -6.423 -19.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.794 -8.790 -19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.294 -8.497 -18.279 1.00 0.00 H new ATOM 652 N ARG A 46 -11.610 -7.048 -19.653 1.00 0.00 N ATOM 653 CA ARG A 46 -10.363 -7.847 -19.510 1.00 0.00 C ATOM 654 C ARG A 46 -10.720 -9.349 -19.451 1.00 0.00 C ATOM 655 O ARG A 46 -11.190 -9.855 -18.421 1.00 0.00 O ATOM 656 CB ARG A 46 -9.527 -7.433 -18.246 1.00 0.00 C ATOM 657 CG ARG A 46 -8.620 -6.191 -18.429 1.00 0.00 C ATOM 658 CD ARG A 46 -9.398 -4.883 -18.578 1.00 0.00 C ATOM 659 NE ARG A 46 -8.504 -3.751 -18.890 1.00 0.00 N ATOM 660 CZ ARG A 46 -8.597 -2.511 -18.381 1.00 0.00 C ATOM 661 NH1 ARG A 46 -9.545 -2.200 -17.503 1.00 0.00 N ATOM 662 NH2 ARG A 46 -7.738 -1.582 -18.769 1.00 0.00 N ATOM 0 H ARG A 46 -11.788 -6.401 -18.885 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.737 -7.647 -20.380 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.215 -7.242 -17.423 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.904 -8.277 -17.951 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.951 -6.111 -17.572 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.994 -6.335 -19.310 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.141 -4.989 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.941 -4.675 -17.656 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.747 -3.926 -19.552 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.217 -2.908 -17.205 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.601 -1.254 -17.127 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.013 -1.810 -19.449 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.801 -0.638 -18.388 1.00 0.00 H new ATOM 676 N GLU A 47 -10.503 -10.030 -20.583 1.00 0.00 N ATOM 677 CA GLU A 47 -10.802 -11.455 -20.751 1.00 0.00 C ATOM 678 C GLU A 47 -9.505 -12.261 -20.592 1.00 0.00 C ATOM 679 O GLU A 47 -8.420 -11.766 -20.930 1.00 0.00 O ATOM 680 CB GLU A 47 -11.448 -11.705 -22.148 1.00 0.00 C ATOM 681 CG GLU A 47 -10.514 -11.454 -23.353 1.00 0.00 C ATOM 682 CD GLU A 47 -11.192 -11.633 -24.728 1.00 0.00 C ATOM 683 OE1 GLU A 47 -11.771 -12.717 -24.988 1.00 0.00 O ATOM 684 OE2 GLU A 47 -11.135 -10.701 -25.564 1.00 0.00 O ATOM 0 H GLU A 47 -10.109 -9.599 -21.419 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.514 -11.777 -19.991 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.801 -12.735 -22.189 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.324 -11.064 -22.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.117 -10.441 -23.286 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.665 -12.134 -23.288 1.00 0.00 H new ATOM 691 N PHE A 48 -9.622 -13.486 -20.051 1.00 0.00 N ATOM 692 CA PHE A 48 -8.482 -14.407 -19.881 1.00 0.00 C ATOM 693 C PHE A 48 -7.864 -14.743 -21.253 1.00 0.00 C ATOM 694 O PHE A 48 -8.535 -15.320 -22.113 1.00 0.00 O ATOM 695 CB PHE A 48 -8.942 -15.696 -19.138 1.00 0.00 C ATOM 696 CG PHE A 48 -7.885 -16.809 -19.046 1.00 0.00 C ATOM 697 CD1 PHE A 48 -6.832 -16.731 -18.138 1.00 0.00 C ATOM 698 CD2 PHE A 48 -7.939 -17.931 -19.881 1.00 0.00 C ATOM 699 CE1 PHE A 48 -5.881 -17.735 -18.071 1.00 0.00 C ATOM 700 CE2 PHE A 48 -6.987 -18.928 -19.806 1.00 0.00 C ATOM 701 CZ PHE A 48 -5.957 -18.826 -18.905 1.00 0.00 C ATOM 0 H PHE A 48 -10.508 -13.866 -19.719 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.716 -13.923 -19.275 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.250 -15.424 -18.128 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.822 -16.093 -19.643 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.756 -15.879 -17.479 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.742 -18.019 -20.598 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.073 -17.661 -17.358 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.053 -19.788 -20.456 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.207 -19.601 -18.851 1.00 0.00 H new ATOM 711 N VAL A 49 -6.611 -14.305 -21.455 1.00 0.00 N ATOM 712 CA VAL A 49 -5.811 -14.633 -22.645 1.00 0.00 C ATOM 713 C VAL A 49 -4.770 -15.695 -22.253 1.00 0.00 C ATOM 714 O VAL A 49 -4.716 -16.779 -22.839 1.00 0.00 O ATOM 715 CB VAL A 49 -5.108 -13.347 -23.225 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.231 -13.669 -24.456 1.00 0.00 C ATOM 717 CG2 VAL A 49 -6.150 -12.250 -23.542 1.00 0.00 C ATOM 0 H VAL A 49 -6.120 -13.707 -20.790 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.462 -15.024 -23.427 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.437 -12.965 -22.456 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.767 -12.753 -24.822 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.456 -14.381 -24.174 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.851 -14.100 -25.242 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.643 -11.371 -23.941 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.861 -12.625 -24.279 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.682 -11.979 -22.630 1.00 0.00 H new ATOM 727 N ALA A 50 -3.965 -15.368 -21.230 1.00 0.00 N ATOM 728 CA ALA A 50 -2.902 -16.244 -20.722 1.00 0.00 C ATOM 729 C ALA A 50 -2.539 -15.854 -19.281 1.00 0.00 C ATOM 730 O ALA A 50 -2.735 -14.709 -18.887 1.00 0.00 O ATOM 731 CB ALA A 50 -1.667 -16.179 -21.647 1.00 0.00 C ATOM 0 H ALA A 50 -4.035 -14.482 -20.730 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.262 -17.273 -20.714 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.887 -16.833 -21.258 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.946 -16.503 -22.650 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.296 -15.155 -21.687 1.00 0.00 H new ATOM 737 N VAL A 51 -2.049 -16.827 -18.492 1.00 0.00 N ATOM 738 CA VAL A 51 -1.509 -16.605 -17.123 1.00 0.00 C ATOM 739 C VAL A 51 -0.230 -17.440 -16.960 1.00 0.00 C ATOM 740 O VAL A 51 -0.149 -18.559 -17.458 1.00 0.00 O ATOM 741 CB VAL A 51 -2.559 -16.957 -15.973 1.00 0.00 C ATOM 742 CG1 VAL A 51 -1.900 -17.024 -14.563 1.00 0.00 C ATOM 743 CG2 VAL A 51 -3.737 -15.944 -15.954 1.00 0.00 C ATOM 0 H VAL A 51 -2.013 -17.804 -18.783 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.290 -15.543 -17.014 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.945 -17.949 -16.209 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.658 -17.267 -13.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.128 -17.793 -14.559 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.453 -16.059 -14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.434 -16.212 -15.160 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.351 -14.940 -15.775 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.253 -15.968 -16.914 1.00 0.00 H new ATOM 753 N VAL A 52 0.767 -16.879 -16.268 1.00 0.00 N ATOM 754 CA VAL A 52 2.030 -17.562 -15.958 1.00 0.00 C ATOM 755 C VAL A 52 2.388 -17.322 -14.480 1.00 0.00 C ATOM 756 O VAL A 52 2.071 -16.263 -13.919 1.00 0.00 O ATOM 757 CB VAL A 52 3.205 -17.064 -16.896 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.622 -15.597 -16.585 1.00 0.00 C ATOM 759 CG2 VAL A 52 4.423 -18.033 -16.862 1.00 0.00 C ATOM 0 H VAL A 52 0.721 -15.928 -15.903 1.00 0.00 H new ATOM 0 HA VAL A 52 1.899 -18.629 -16.137 1.00 0.00 H new ATOM 0 HB VAL A 52 2.819 -17.071 -17.915 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.430 -15.299 -17.253 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.767 -14.937 -16.733 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.961 -15.526 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.207 -17.655 -17.519 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.805 -18.102 -15.843 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.111 -19.021 -17.200 1.00 0.00 H new ATOM 769 N ASN A 53 2.997 -18.329 -13.838 1.00 0.00 N ATOM 770 CA ASN A 53 3.654 -18.150 -12.536 1.00 0.00 C ATOM 771 C ASN A 53 5.049 -17.552 -12.758 1.00 0.00 C ATOM 772 O ASN A 53 5.623 -17.694 -13.842 1.00 0.00 O ATOM 773 CB ASN A 53 3.735 -19.492 -11.758 1.00 0.00 C ATOM 774 CG ASN A 53 2.368 -19.954 -11.243 1.00 0.00 C ATOM 775 OD1 ASN A 53 1.644 -20.676 -11.923 1.00 0.00 O ATOM 776 ND2 ASN A 53 2.002 -19.523 -10.042 1.00 0.00 N ATOM 0 H ASN A 53 3.048 -19.281 -14.202 1.00 0.00 H new ATOM 0 HA ASN A 53 3.063 -17.466 -11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.154 -20.260 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.418 -19.380 -10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.096 -19.791 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.627 -18.924 -9.503 1.00 0.00 H new ATOM 783 N TRP A 54 5.573 -16.886 -11.726 1.00 0.00 N ATOM 784 CA TRP A 54 6.887 -16.215 -11.757 1.00 0.00 C ATOM 785 C TRP A 54 8.023 -17.155 -12.239 1.00 0.00 C ATOM 786 O TRP A 54 8.897 -16.750 -13.003 1.00 0.00 O ATOM 787 CB TRP A 54 7.200 -15.650 -10.348 1.00 0.00 C ATOM 788 CG TRP A 54 7.399 -16.694 -9.249 1.00 0.00 C ATOM 789 CD1 TRP A 54 8.596 -17.145 -8.757 1.00 0.00 C ATOM 790 CD2 TRP A 54 6.383 -17.401 -8.507 1.00 0.00 C ATOM 791 NE1 TRP A 54 8.386 -18.085 -7.784 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.043 -18.265 -7.615 1.00 0.00 C ATOM 793 CE3 TRP A 54 4.982 -17.401 -8.524 1.00 0.00 C ATOM 794 CZ2 TRP A 54 6.355 -19.103 -6.741 1.00 0.00 C ATOM 795 CZ3 TRP A 54 4.299 -18.230 -7.656 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.986 -19.079 -6.780 1.00 0.00 C ATOM 0 H TRP A 54 5.094 -16.793 -10.830 1.00 0.00 H new ATOM 0 HA TRP A 54 6.836 -15.402 -12.481 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.101 -15.040 -10.412 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.386 -14.987 -10.052 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.566 -16.807 -9.089 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.117 -18.574 -7.267 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.443 -16.761 -9.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.883 -19.750 -6.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.219 -18.223 -7.653 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.426 -19.727 -6.122 1.00 0.00 H new ATOM 807 N SER A 55 7.959 -18.419 -11.796 1.00 0.00 N ATOM 808 CA SER A 55 8.961 -19.452 -12.110 1.00 0.00 C ATOM 809 C SER A 55 8.929 -19.853 -13.604 1.00 0.00 C ATOM 810 O SER A 55 9.945 -20.279 -14.170 1.00 0.00 O ATOM 811 CB SER A 55 8.694 -20.696 -11.227 1.00 0.00 C ATOM 812 OG SER A 55 8.530 -20.337 -9.865 1.00 0.00 O ATOM 0 H SER A 55 7.202 -18.758 -11.203 1.00 0.00 H new ATOM 0 HA SER A 55 9.950 -19.043 -11.904 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.800 -21.210 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.523 -21.397 -11.323 1.00 0.00 H new ATOM 0 HG SER A 55 8.707 -19.379 -9.756 1.00 0.00 H new ATOM 818 N GLY A 56 7.748 -19.680 -14.229 1.00 0.00 N ATOM 819 CA GLY A 56 7.448 -20.254 -15.546 1.00 0.00 C ATOM 820 C GLY A 56 7.031 -21.721 -15.440 1.00 0.00 C ATOM 821 O GLY A 56 6.928 -22.428 -16.450 1.00 0.00 O ATOM 0 H GLY A 56 6.980 -19.139 -13.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.650 -19.682 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.325 -20.170 -16.188 1.00 0.00 H new ATOM 825 N ARG A 57 6.761 -22.143 -14.189 1.00 0.00 N ATOM 826 CA ARG A 57 6.395 -23.523 -13.821 1.00 0.00 C ATOM 827 C ARG A 57 5.041 -23.914 -14.436 1.00 0.00 C ATOM 828 O ARG A 57 4.850 -25.043 -14.890 1.00 0.00 O ATOM 829 CB ARG A 57 6.349 -23.617 -12.274 1.00 0.00 C ATOM 830 CG ARG A 57 5.984 -25.003 -11.695 1.00 0.00 C ATOM 831 CD ARG A 57 5.971 -24.991 -10.159 1.00 0.00 C ATOM 832 NE ARG A 57 5.558 -26.287 -9.589 1.00 0.00 N ATOM 833 CZ ARG A 57 4.772 -26.438 -8.513 1.00 0.00 C ATOM 834 NH1 ARG A 57 4.272 -25.376 -7.880 1.00 0.00 N ATOM 835 NH2 ARG A 57 4.521 -27.650 -8.059 1.00 0.00 N ATOM 0 H ARG A 57 6.793 -21.515 -13.386 1.00 0.00 H new ATOM 0 HA ARG A 57 7.137 -24.219 -14.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.323 -23.326 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.626 -22.889 -11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.004 -25.306 -12.065 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.701 -25.745 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.965 -24.736 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.293 -24.212 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 57 5.896 -27.133 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.486 -24.436 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.675 -25.504 -7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.924 -28.463 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.924 -27.775 -7.241 1.00 0.00 H new ATOM 849 N ARG A 58 4.111 -22.950 -14.451 1.00 0.00 N ATOM 850 CA ARG A 58 2.767 -23.127 -15.024 1.00 0.00 C ATOM 851 C ARG A 58 2.454 -22.000 -16.015 1.00 0.00 C ATOM 852 O ARG A 58 2.617 -20.818 -15.697 1.00 0.00 O ATOM 853 CB ARG A 58 1.683 -23.213 -13.897 1.00 0.00 C ATOM 854 CG ARG A 58 1.357 -24.649 -13.422 1.00 0.00 C ATOM 855 CD ARG A 58 0.786 -25.502 -14.572 1.00 0.00 C ATOM 856 NE ARG A 58 0.371 -26.840 -14.135 1.00 0.00 N ATOM 857 CZ ARG A 58 0.222 -27.904 -14.936 1.00 0.00 C ATOM 858 NH1 ARG A 58 0.537 -27.841 -16.232 1.00 0.00 N ATOM 859 NH2 ARG A 58 -0.220 -29.039 -14.424 1.00 0.00 N ATOM 0 H ARG A 58 4.269 -22.020 -14.064 1.00 0.00 H new ATOM 0 HA ARG A 58 2.747 -24.071 -15.569 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.022 -22.630 -13.041 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.766 -22.747 -14.257 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.259 -25.119 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.638 -24.609 -12.604 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.068 -24.987 -15.011 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.538 -25.597 -15.356 1.00 0.00 H new ATOM 0 HE ARG A 58 0.181 -26.971 -13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.898 -26.973 -16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.417 -28.661 -16.826 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.443 -29.098 -13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.338 -29.857 -15.022 1.00 0.00 H new ATOM 873 N THR A 59 2.036 -22.409 -17.224 1.00 0.00 N ATOM 874 CA THR A 59 1.524 -21.529 -18.279 1.00 0.00 C ATOM 875 C THR A 59 0.099 -21.996 -18.650 1.00 0.00 C ATOM 876 O THR A 59 -0.130 -23.191 -18.899 1.00 0.00 O ATOM 877 CB THR A 59 2.452 -21.562 -19.549 1.00 0.00 C ATOM 878 OG1 THR A 59 2.684 -22.924 -19.965 1.00 0.00 O ATOM 879 CG2 THR A 59 3.804 -20.866 -19.295 1.00 0.00 C ATOM 0 H THR A 59 2.047 -23.391 -17.499 1.00 0.00 H new ATOM 0 HA THR A 59 1.506 -20.502 -17.914 1.00 0.00 H new ATOM 0 HB THR A 59 1.935 -21.017 -20.339 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.896 -23.468 -19.758 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.413 -20.913 -20.198 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.632 -19.824 -19.027 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.325 -21.369 -18.480 1.00 0.00 H new ATOM 887 N TYR A 60 -0.843 -21.049 -18.676 1.00 0.00 N ATOM 888 CA TYR A 60 -2.265 -21.289 -18.969 1.00 0.00 C ATOM 889 C TYR A 60 -2.643 -20.451 -20.192 1.00 0.00 C ATOM 890 O TYR A 60 -2.190 -19.311 -20.312 1.00 0.00 O ATOM 891 CB TYR A 60 -3.149 -20.904 -17.747 1.00 0.00 C ATOM 892 CG TYR A 60 -2.807 -21.660 -16.453 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.164 -23.004 -16.292 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.128 -21.037 -15.397 1.00 0.00 C ATOM 895 CE1 TYR A 60 -2.866 -23.691 -15.130 1.00 0.00 C ATOM 896 CE2 TYR A 60 -1.831 -21.725 -14.232 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.196 -23.052 -14.108 1.00 0.00 C ATOM 898 OH TYR A 60 -1.898 -23.742 -12.953 1.00 0.00 O ATOM 0 H TYR A 60 -0.636 -20.068 -18.489 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.432 -22.347 -19.173 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.050 -19.834 -17.565 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.194 -21.090 -17.997 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.682 -23.514 -17.091 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.831 -20.003 -15.493 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.157 -24.725 -15.023 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.316 -21.226 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.424 -23.151 -12.332 1.00 0.00 H new ATOM 908 N TYR A 61 -3.433 -21.026 -21.116 1.00 0.00 N ATOM 909 CA TYR A 61 -3.814 -20.363 -22.380 1.00 0.00 C ATOM 910 C TYR A 61 -5.313 -20.544 -22.652 1.00 0.00 C ATOM 911 O TYR A 61 -5.866 -21.630 -22.439 1.00 0.00 O ATOM 912 CB TYR A 61 -2.997 -20.938 -23.572 1.00 0.00 C ATOM 913 CG TYR A 61 -1.474 -20.827 -23.397 1.00 0.00 C ATOM 914 CD1 TYR A 61 -0.824 -19.604 -23.554 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.691 -21.937 -23.049 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.537 -19.490 -23.366 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.677 -21.824 -22.868 1.00 0.00 C ATOM 918 CZ TYR A 61 1.284 -20.599 -23.027 1.00 0.00 C ATOM 919 OH TYR A 61 2.646 -20.473 -22.829 1.00 0.00 O ATOM 0 H TYR A 61 -3.826 -21.961 -21.010 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.594 -19.300 -22.280 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.261 -21.987 -23.708 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.287 -20.415 -24.484 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.397 -18.730 -23.828 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.164 -22.899 -22.920 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.019 -18.531 -23.484 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.264 -22.691 -22.604 1.00 0.00 H new ATOM 0 HH TYR A 61 3.025 -21.346 -22.595 1.00 0.00 H new ATOM 929 N ALA A 62 -5.949 -19.464 -23.127 1.00 0.00 N ATOM 930 CA ALA A 62 -7.351 -19.467 -23.572 1.00 0.00 C ATOM 931 C ALA A 62 -7.441 -20.049 -24.991 1.00 0.00 C ATOM 932 O ALA A 62 -6.536 -19.827 -25.792 1.00 0.00 O ATOM 933 CB ALA A 62 -7.904 -18.036 -23.546 1.00 0.00 C ATOM 0 H ALA A 62 -5.500 -18.553 -23.214 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.945 -20.086 -22.900 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.943 -18.041 -23.876 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.848 -17.643 -22.531 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.315 -17.406 -24.212 1.00 0.00 H new ATOM 939 N ASP A 63 -8.554 -20.735 -25.304 1.00 0.00 N ATOM 940 CA ASP A 63 -8.742 -21.470 -26.585 1.00 0.00 C ATOM 941 C ASP A 63 -8.625 -20.551 -27.825 1.00 0.00 C ATOM 942 O ASP A 63 -8.251 -21.020 -28.908 1.00 0.00 O ATOM 943 CB ASP A 63 -10.118 -22.178 -26.596 1.00 0.00 C ATOM 944 CG ASP A 63 -10.251 -23.245 -25.497 1.00 0.00 C ATOM 945 OD1 ASP A 63 -9.902 -24.420 -25.738 1.00 0.00 O ATOM 946 OD2 ASP A 63 -10.695 -22.911 -24.380 1.00 0.00 O ATOM 0 H ASP A 63 -9.357 -20.801 -24.678 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.940 -22.205 -26.646 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.905 -21.434 -26.470 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.273 -22.644 -27.569 1.00 0.00 H new ATOM 951 N SER A 64 -8.941 -19.256 -27.646 1.00 0.00 N ATOM 952 CA SER A 64 -8.853 -18.239 -28.715 1.00 0.00 C ATOM 953 C SER A 64 -7.396 -18.019 -29.188 1.00 0.00 C ATOM 954 O SER A 64 -7.144 -17.731 -30.365 1.00 0.00 O ATOM 955 CB SER A 64 -9.439 -16.893 -28.213 1.00 0.00 C ATOM 956 OG SER A 64 -10.767 -17.055 -27.746 1.00 0.00 O ATOM 0 H SER A 64 -9.266 -18.882 -26.754 1.00 0.00 H new ATOM 0 HA SER A 64 -9.430 -18.607 -29.563 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.815 -16.498 -27.412 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.421 -16.162 -29.021 1.00 0.00 H new ATOM 0 HG SER A 64 -11.112 -16.192 -27.434 1.00 0.00 H new ATOM 962 N VAL A 65 -6.450 -18.164 -28.247 1.00 0.00 N ATOM 963 CA VAL A 65 -5.025 -17.814 -28.434 1.00 0.00 C ATOM 964 C VAL A 65 -4.089 -19.007 -28.102 1.00 0.00 C ATOM 965 O VAL A 65 -2.861 -18.865 -28.123 1.00 0.00 O ATOM 966 CB VAL A 65 -4.660 -16.585 -27.520 1.00 0.00 C ATOM 967 CG1 VAL A 65 -5.496 -15.327 -27.893 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.812 -16.948 -26.016 1.00 0.00 C ATOM 0 H VAL A 65 -6.653 -18.533 -27.318 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.879 -17.558 -29.483 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.614 -16.337 -27.698 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.217 -14.499 -27.242 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.301 -15.055 -28.930 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.557 -15.545 -27.769 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.554 -16.083 -25.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.843 -17.240 -25.815 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.146 -17.776 -25.772 1.00 0.00 H new ATOM 978 N LYS A 66 -4.685 -20.174 -27.811 1.00 0.00 N ATOM 979 CA LYS A 66 -3.953 -21.362 -27.325 1.00 0.00 C ATOM 980 C LYS A 66 -3.097 -21.974 -28.447 1.00 0.00 C ATOM 981 O LYS A 66 -3.498 -21.953 -29.618 1.00 0.00 O ATOM 982 CB LYS A 66 -4.970 -22.400 -26.766 1.00 0.00 C ATOM 983 CG LYS A 66 -4.350 -23.626 -26.054 1.00 0.00 C ATOM 984 CD LYS A 66 -5.414 -24.534 -25.391 1.00 0.00 C ATOM 985 CE LYS A 66 -6.415 -25.111 -26.409 1.00 0.00 C ATOM 986 NZ LYS A 66 -7.437 -25.969 -25.768 1.00 0.00 N ATOM 0 H LYS A 66 -5.689 -20.324 -27.905 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.276 -21.064 -26.525 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.633 -21.892 -26.065 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.589 -22.755 -27.590 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.779 -24.210 -26.776 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.647 -23.283 -25.295 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.916 -25.353 -24.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.956 -23.962 -24.638 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.908 -24.293 -26.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.875 -25.691 -27.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.546 -26.847 -26.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.138 -26.200 -24.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.346 -25.464 -25.739 1.00 0.00 H new ATOM 1000 N GLY A 67 -1.896 -22.466 -28.082 1.00 0.00 N ATOM 1001 CA GLY A 67 -0.984 -23.126 -29.028 1.00 0.00 C ATOM 1002 C GLY A 67 -0.094 -22.157 -29.808 1.00 0.00 C ATOM 1003 O GLY A 67 0.974 -22.549 -30.295 1.00 0.00 O ATOM 0 H GLY A 67 -1.536 -22.416 -27.129 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.351 -23.825 -28.481 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.571 -23.713 -29.734 1.00 0.00 H new ATOM 1007 N ARG A 68 -0.528 -20.888 -29.916 1.00 0.00 N ATOM 1008 CA ARG A 68 0.157 -19.858 -30.720 1.00 0.00 C ATOM 1009 C ARG A 68 0.670 -18.698 -29.838 1.00 0.00 C ATOM 1010 O ARG A 68 1.498 -17.906 -30.279 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.799 -19.351 -31.829 1.00 0.00 C ATOM 1012 CG ARG A 68 -2.099 -18.692 -31.316 1.00 0.00 C ATOM 1013 CD ARG A 68 -2.984 -18.159 -32.451 1.00 0.00 C ATOM 1014 NE ARG A 68 -4.190 -17.474 -31.932 1.00 0.00 N ATOM 1015 CZ ARG A 68 -4.426 -16.159 -32.008 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -3.529 -15.337 -32.543 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -5.561 -15.666 -31.544 1.00 0.00 N ATOM 0 H ARG A 68 -1.367 -20.546 -29.447 1.00 0.00 H new ATOM 0 HA ARG A 68 1.035 -20.303 -31.189 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.264 -18.631 -32.448 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.064 -20.190 -32.472 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.664 -19.419 -30.732 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.845 -17.872 -30.644 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.409 -17.467 -33.066 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.284 -18.985 -33.096 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.899 -18.052 -31.480 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.649 -15.707 -32.902 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.721 -14.337 -32.595 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.255 -16.288 -31.129 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.743 -14.664 -31.601 1.00 0.00 H new ATOM 1031 N PHE A 69 0.151 -18.575 -28.609 1.00 0.00 N ATOM 1032 CA PHE A 69 0.694 -17.636 -27.600 1.00 0.00 C ATOM 1033 C PHE A 69 1.592 -18.404 -26.623 1.00 0.00 C ATOM 1034 O PHE A 69 1.378 -19.599 -26.380 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.456 -16.905 -26.838 1.00 0.00 C ATOM 1036 CG PHE A 69 -1.103 -15.732 -27.588 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.314 -15.768 -28.966 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.516 -14.586 -26.898 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -1.908 -14.710 -29.624 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -2.108 -13.526 -27.560 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.304 -13.588 -28.922 1.00 0.00 C ATOM 0 H PHE A 69 -0.650 -19.115 -28.282 1.00 0.00 H new ATOM 0 HA PHE A 69 1.285 -16.874 -28.108 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.231 -17.633 -26.600 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.064 -16.536 -25.890 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.008 -16.638 -29.528 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.370 -14.529 -25.829 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.064 -14.759 -30.692 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.417 -12.650 -27.009 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.766 -12.761 -29.440 1.00 0.00 H new ATOM 1051 N THR A 70 2.610 -17.710 -26.098 1.00 0.00 N ATOM 1052 CA THR A 70 3.520 -18.233 -25.068 1.00 0.00 C ATOM 1053 C THR A 70 4.000 -17.069 -24.189 1.00 0.00 C ATOM 1054 O THR A 70 4.313 -15.998 -24.713 1.00 0.00 O ATOM 1055 CB THR A 70 4.751 -18.973 -25.708 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.297 -20.011 -26.597 1.00 0.00 O ATOM 1057 CG2 THR A 70 5.679 -19.600 -24.649 1.00 0.00 C ATOM 0 H THR A 70 2.829 -16.755 -26.381 1.00 0.00 H new ATOM 0 HA THR A 70 2.980 -18.961 -24.462 1.00 0.00 H new ATOM 0 HB THR A 70 5.319 -18.220 -26.254 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.071 -20.465 -26.992 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.512 -20.098 -25.145 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.062 -18.819 -23.992 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.120 -20.327 -24.060 1.00 0.00 H new ATOM 1065 N ILE A 71 4.047 -17.275 -22.854 1.00 0.00 N ATOM 1066 CA ILE A 71 4.576 -16.263 -21.915 1.00 0.00 C ATOM 1067 C ILE A 71 6.003 -16.679 -21.505 1.00 0.00 C ATOM 1068 O ILE A 71 6.334 -17.870 -21.511 1.00 0.00 O ATOM 1069 CB ILE A 71 3.698 -16.042 -20.597 1.00 0.00 C ATOM 1070 CG1 ILE A 71 2.161 -16.318 -20.812 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.920 -14.606 -20.044 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.738 -17.765 -20.612 1.00 0.00 C ATOM 0 H ILE A 71 3.725 -18.132 -22.404 1.00 0.00 H new ATOM 0 HA ILE A 71 4.554 -15.311 -22.446 1.00 0.00 H new ATOM 0 HB ILE A 71 4.039 -16.777 -19.868 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.594 -15.690 -20.125 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.889 -16.011 -21.822 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.318 -14.465 -19.146 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.973 -14.469 -19.800 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.624 -13.876 -20.798 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.665 -17.857 -20.781 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.272 -18.401 -21.318 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.973 -18.075 -19.594 1.00 0.00 H new ATOM 1084 N SER A 72 6.830 -15.685 -21.180 1.00 0.00 N ATOM 1085 CA SER A 72 8.187 -15.860 -20.633 1.00 0.00 C ATOM 1086 C SER A 72 8.470 -14.715 -19.652 1.00 0.00 C ATOM 1087 O SER A 72 7.779 -13.708 -19.691 1.00 0.00 O ATOM 1088 CB SER A 72 9.225 -15.876 -21.779 1.00 0.00 C ATOM 1089 OG SER A 72 9.038 -17.000 -22.621 1.00 0.00 O ATOM 0 H SER A 72 6.572 -14.704 -21.291 1.00 0.00 H new ATOM 0 HA SER A 72 8.260 -16.812 -20.107 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.139 -14.961 -22.365 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.232 -15.894 -21.362 1.00 0.00 H new ATOM 0 HG SER A 72 9.705 -16.986 -23.338 1.00 0.00 H new ATOM 1095 N ARG A 73 9.446 -14.894 -18.743 1.00 0.00 N ATOM 1096 CA ARG A 73 9.870 -13.834 -17.813 1.00 0.00 C ATOM 1097 C ARG A 73 11.272 -14.123 -17.238 1.00 0.00 C ATOM 1098 O ARG A 73 11.577 -15.251 -16.827 1.00 0.00 O ATOM 1099 CB ARG A 73 8.830 -13.583 -16.659 1.00 0.00 C ATOM 1100 CG ARG A 73 8.644 -14.696 -15.587 1.00 0.00 C ATOM 1101 CD ARG A 73 7.761 -15.902 -16.012 1.00 0.00 C ATOM 1102 NE ARG A 73 8.387 -16.806 -16.997 1.00 0.00 N ATOM 1103 CZ ARG A 73 9.464 -17.592 -16.776 1.00 0.00 C ATOM 1104 NH1 ARG A 73 10.106 -17.590 -15.611 1.00 0.00 N ATOM 1105 NH2 ARG A 73 9.892 -18.380 -17.746 1.00 0.00 N ATOM 0 H ARG A 73 9.958 -15.769 -18.634 1.00 0.00 H new ATOM 0 HA ARG A 73 9.919 -12.915 -18.396 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.119 -12.667 -16.143 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.859 -13.397 -17.119 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.628 -15.071 -15.305 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.207 -14.246 -14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.503 -16.478 -15.123 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.828 -15.523 -16.428 1.00 0.00 H new ATOM 0 HE ARG A 73 7.970 -16.840 -17.927 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.788 -16.984 -14.855 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.916 -18.195 -15.474 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.411 -18.389 -18.645 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.703 -18.979 -17.596 1.00 0.00 H new ATOM 1119 N ASP A 74 12.127 -13.096 -17.266 1.00 0.00 N ATOM 1120 CA ASP A 74 13.417 -13.084 -16.578 1.00 0.00 C ATOM 1121 C ASP A 74 13.192 -12.525 -15.170 1.00 0.00 C ATOM 1122 O ASP A 74 12.916 -11.331 -15.016 1.00 0.00 O ATOM 1123 CB ASP A 74 14.440 -12.216 -17.363 1.00 0.00 C ATOM 1124 CG ASP A 74 14.780 -12.797 -18.748 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.841 -13.453 -18.906 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.981 -12.614 -19.690 1.00 0.00 O ATOM 0 H ASP A 74 11.936 -12.235 -17.778 1.00 0.00 H new ATOM 0 HA ASP A 74 13.826 -14.092 -16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.038 -11.210 -17.485 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.355 -12.124 -16.778 1.00 0.00 H new ATOM 1131 N ASN A 75 13.257 -13.405 -14.161 1.00 0.00 N ATOM 1132 CA ASN A 75 13.043 -13.037 -12.747 1.00 0.00 C ATOM 1133 C ASN A 75 14.206 -12.173 -12.224 1.00 0.00 C ATOM 1134 O ASN A 75 14.000 -11.293 -11.381 1.00 0.00 O ATOM 1135 CB ASN A 75 12.887 -14.297 -11.854 1.00 0.00 C ATOM 1136 CG ASN A 75 11.720 -15.213 -12.247 1.00 0.00 C ATOM 1137 OD1 ASN A 75 11.374 -15.346 -13.423 1.00 0.00 O ATOM 1138 ND2 ASN A 75 11.101 -15.850 -11.260 1.00 0.00 N ATOM 0 H ASN A 75 13.460 -14.395 -14.299 1.00 0.00 H new ATOM 0 HA ASN A 75 12.120 -12.460 -12.698 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.813 -14.871 -11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.752 -13.980 -10.820 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.317 -16.469 -11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.410 -15.720 -10.297 1.00 0.00 H new ATOM 1145 N ALA A 76 15.420 -12.444 -12.745 1.00 0.00 N ATOM 1146 CA ALA A 76 16.646 -11.703 -12.395 1.00 0.00 C ATOM 1147 C ALA A 76 16.587 -10.253 -12.918 1.00 0.00 C ATOM 1148 O ALA A 76 16.979 -9.312 -12.219 1.00 0.00 O ATOM 1149 CB ALA A 76 17.880 -12.438 -12.958 1.00 0.00 C ATOM 0 H ALA A 76 15.577 -13.188 -13.425 1.00 0.00 H new ATOM 0 HA ALA A 76 16.726 -11.658 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.783 -11.886 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.932 -13.440 -12.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.799 -12.507 -14.043 1.00 0.00 H new ATOM 1155 N LYS A 77 16.078 -10.091 -14.153 1.00 0.00 N ATOM 1156 CA LYS A 77 15.982 -8.777 -14.825 1.00 0.00 C ATOM 1157 C LYS A 77 14.574 -8.154 -14.686 1.00 0.00 C ATOM 1158 O LYS A 77 14.327 -7.067 -15.218 1.00 0.00 O ATOM 1159 CB LYS A 77 16.376 -8.922 -16.313 1.00 0.00 C ATOM 1160 CG LYS A 77 17.834 -9.390 -16.545 1.00 0.00 C ATOM 1161 CD LYS A 77 18.254 -9.351 -18.034 1.00 0.00 C ATOM 1162 CE LYS A 77 17.368 -10.228 -18.933 1.00 0.00 C ATOM 1163 NZ LYS A 77 17.796 -10.184 -20.348 1.00 0.00 N ATOM 0 H LYS A 77 15.722 -10.864 -14.714 1.00 0.00 H new ATOM 0 HA LYS A 77 16.677 -8.096 -14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.699 -9.632 -16.788 1.00 0.00 H new ATOM 0 HB3 LYS A 77 16.232 -7.963 -16.810 1.00 0.00 H new ATOM 0 HG2 LYS A 77 18.508 -8.758 -15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.947 -10.406 -16.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.216 -8.321 -18.389 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.289 -9.680 -18.122 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.398 -11.258 -18.577 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.333 -9.895 -18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.172 -10.789 -20.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.743 -9.206 -20.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.775 -10.526 -20.425 1.00 0.00 H new ATOM 1177 N ASN A 78 13.670 -8.882 -14.005 1.00 0.00 N ATOM 1178 CA ASN A 78 12.321 -8.403 -13.610 1.00 0.00 C ATOM 1179 C ASN A 78 11.423 -8.021 -14.817 1.00 0.00 C ATOM 1180 O ASN A 78 10.494 -7.220 -14.673 1.00 0.00 O ATOM 1181 CB ASN A 78 12.423 -7.220 -12.586 1.00 0.00 C ATOM 1182 CG ASN A 78 12.979 -7.602 -11.201 1.00 0.00 C ATOM 1183 OD1 ASN A 78 14.003 -8.448 -11.142 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 12.509 -7.100 -10.182 1.00 0.00 N flip ATOM 0 H ASN A 78 13.855 -9.839 -13.705 1.00 0.00 H new ATOM 0 HA ASN A 78 11.830 -9.246 -13.124 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.057 -6.443 -13.013 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.432 -6.786 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.723 -6.453 -10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.905 -7.330 -9.271 1.00 0.00 H new ATOM 1191 N THR A 79 11.661 -8.645 -15.987 1.00 0.00 N ATOM 1192 CA THR A 79 10.931 -8.314 -17.227 1.00 0.00 C ATOM 1193 C THR A 79 10.163 -9.541 -17.752 1.00 0.00 C ATOM 1194 O THR A 79 10.727 -10.629 -17.856 1.00 0.00 O ATOM 1195 CB THR A 79 11.908 -7.793 -18.337 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.815 -6.831 -17.770 1.00 0.00 O ATOM 1197 CG2 THR A 79 11.145 -7.142 -19.510 1.00 0.00 C ATOM 0 H THR A 79 12.355 -9.384 -16.100 1.00 0.00 H new ATOM 0 HA THR A 79 10.220 -7.523 -16.987 1.00 0.00 H new ATOM 0 HB THR A 79 12.459 -8.650 -18.724 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.426 -6.508 -18.465 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.857 -6.794 -20.258 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.475 -7.875 -19.960 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.563 -6.297 -19.141 1.00 0.00 H new ATOM 1205 N VAL A 80 8.879 -9.335 -18.085 1.00 0.00 N ATOM 1206 CA VAL A 80 8.001 -10.353 -18.681 1.00 0.00 C ATOM 1207 C VAL A 80 7.853 -10.065 -20.189 1.00 0.00 C ATOM 1208 O VAL A 80 7.933 -8.917 -20.611 1.00 0.00 O ATOM 1209 CB VAL A 80 6.580 -10.362 -17.989 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.693 -11.526 -18.513 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.713 -10.403 -16.441 1.00 0.00 C ATOM 0 H VAL A 80 8.413 -8.438 -17.945 1.00 0.00 H new ATOM 0 HA VAL A 80 8.449 -11.335 -18.530 1.00 0.00 H new ATOM 0 HB VAL A 80 6.079 -9.431 -18.256 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.724 -11.499 -18.014 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.550 -11.419 -19.588 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.182 -12.478 -18.305 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.720 -10.408 -15.991 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.250 -11.304 -16.146 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.262 -9.525 -16.100 1.00 0.00 H new ATOM 1221 N TYR A 81 7.677 -11.128 -20.984 1.00 0.00 N ATOM 1222 CA TYR A 81 7.482 -11.057 -22.440 1.00 0.00 C ATOM 1223 C TYR A 81 6.284 -11.935 -22.837 1.00 0.00 C ATOM 1224 O TYR A 81 5.989 -12.925 -22.154 1.00 0.00 O ATOM 1225 CB TYR A 81 8.755 -11.532 -23.194 1.00 0.00 C ATOM 1226 CG TYR A 81 10.029 -10.746 -22.850 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.916 -11.200 -21.870 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.332 -9.541 -23.492 1.00 0.00 C ATOM 1229 CE1 TYR A 81 12.053 -10.487 -21.544 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.473 -8.827 -23.169 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.329 -9.303 -22.195 1.00 0.00 C ATOM 1232 OH TYR A 81 13.461 -8.588 -21.865 1.00 0.00 O ATOM 0 H TYR A 81 7.666 -12.083 -20.626 1.00 0.00 H new ATOM 0 HA TYR A 81 7.289 -10.020 -22.716 1.00 0.00 H new ATOM 0 HB2 TYR A 81 8.922 -12.586 -22.971 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.576 -11.458 -24.267 1.00 0.00 H new ATOM 0 HD1 TYR A 81 10.708 -12.127 -21.357 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.665 -9.161 -24.252 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.724 -10.855 -20.782 1.00 0.00 H new ATOM 0 HE2 TYR A 81 11.693 -7.900 -23.677 1.00 0.00 H new ATOM 0 HH TYR A 81 13.509 -7.779 -22.416 1.00 0.00 H new ATOM 1242 N LEU A 82 5.606 -11.578 -23.942 1.00 0.00 N ATOM 1243 CA LEU A 82 4.477 -12.362 -24.486 1.00 0.00 C ATOM 1244 C LEU A 82 4.693 -12.541 -26.000 1.00 0.00 C ATOM 1245 O LEU A 82 4.571 -11.585 -26.772 1.00 0.00 O ATOM 1246 CB LEU A 82 3.115 -11.657 -24.162 1.00 0.00 C ATOM 1247 CG LEU A 82 1.790 -12.501 -24.254 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.399 -12.859 -25.694 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.871 -13.761 -23.377 1.00 0.00 C ATOM 0 H LEU A 82 5.822 -10.741 -24.483 1.00 0.00 H new ATOM 0 HA LEU A 82 4.437 -13.347 -24.020 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.182 -11.255 -23.151 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.014 -10.807 -24.836 1.00 0.00 H new ATOM 0 HG LEU A 82 0.996 -11.860 -23.870 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.477 -13.441 -25.687 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.247 -11.945 -26.268 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.195 -13.446 -26.152 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.941 -14.323 -23.461 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.702 -14.383 -23.709 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.027 -13.472 -22.338 1.00 0.00 H new ATOM 1261 N GLN A 83 5.030 -13.774 -26.397 1.00 0.00 N ATOM 1262 CA GLN A 83 5.254 -14.153 -27.792 1.00 0.00 C ATOM 1263 C GLN A 83 3.904 -14.474 -28.461 1.00 0.00 C ATOM 1264 O GLN A 83 3.306 -15.527 -28.204 1.00 0.00 O ATOM 1265 CB GLN A 83 6.228 -15.375 -27.892 1.00 0.00 C ATOM 1266 CG GLN A 83 7.662 -15.142 -27.344 1.00 0.00 C ATOM 1267 CD GLN A 83 7.748 -15.049 -25.818 1.00 0.00 C ATOM 1268 OE1 GLN A 83 7.681 -13.964 -25.242 1.00 0.00 O ATOM 1269 NE2 GLN A 83 7.863 -16.193 -25.156 1.00 0.00 N ATOM 0 H GLN A 83 5.156 -14.548 -25.744 1.00 0.00 H new ATOM 0 HA GLN A 83 5.721 -13.317 -28.314 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.785 -16.213 -27.354 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.303 -15.671 -28.938 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.304 -15.955 -27.683 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.058 -14.222 -27.775 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.916 -17.075 -25.666 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.898 -16.191 -24.137 1.00 0.00 H new ATOM 1278 N MET A 84 3.408 -13.527 -29.266 1.00 0.00 N ATOM 1279 CA MET A 84 2.221 -13.722 -30.109 1.00 0.00 C ATOM 1280 C MET A 84 2.664 -14.292 -31.456 1.00 0.00 C ATOM 1281 O MET A 84 3.525 -13.709 -32.114 1.00 0.00 O ATOM 1282 CB MET A 84 1.474 -12.381 -30.337 1.00 0.00 C ATOM 1283 CG MET A 84 0.940 -11.714 -29.072 1.00 0.00 C ATOM 1284 SD MET A 84 -0.034 -10.236 -29.432 1.00 0.00 S ATOM 1285 CE MET A 84 -0.604 -9.799 -27.794 1.00 0.00 C ATOM 0 H MET A 84 3.821 -12.598 -29.352 1.00 0.00 H new ATOM 0 HA MET A 84 1.541 -14.410 -29.608 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.150 -11.687 -30.837 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.640 -12.559 -31.015 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.325 -12.426 -28.521 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.775 -11.447 -28.425 1.00 0.00 H new ATOM 0 HE1 MET A 84 -1.131 -8.846 -27.834 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.279 -10.571 -27.425 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.250 -9.713 -27.122 1.00 0.00 H new ATOM 1295 N ASN A 85 2.108 -15.448 -31.833 1.00 0.00 N ATOM 1296 CA ASN A 85 2.362 -16.087 -33.141 1.00 0.00 C ATOM 1297 C ASN A 85 1.010 -16.292 -33.846 1.00 0.00 C ATOM 1298 O ASN A 85 0.013 -16.578 -33.173 1.00 0.00 O ATOM 1299 CB ASN A 85 3.105 -17.447 -32.964 1.00 0.00 C ATOM 1300 CG ASN A 85 4.433 -17.327 -32.203 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.487 -17.138 -32.802 1.00 0.00 O ATOM 1302 ND2 ASN A 85 4.388 -17.428 -30.874 1.00 0.00 N ATOM 0 H ASN A 85 1.465 -15.974 -31.241 1.00 0.00 H new ATOM 0 HA ASN A 85 3.004 -15.446 -33.745 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.453 -18.141 -32.434 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.297 -17.877 -33.947 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.245 -17.348 -30.327 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.496 -17.585 -30.404 1.00 0.00 H new ATOM 1309 N SER A 86 0.983 -16.094 -35.181 1.00 0.00 N ATOM 1310 CA SER A 86 -0.208 -16.311 -36.036 1.00 0.00 C ATOM 1311 C SER A 86 -1.441 -15.526 -35.516 1.00 0.00 C ATOM 1312 O SER A 86 -2.458 -16.118 -35.123 1.00 0.00 O ATOM 1313 CB SER A 86 -0.496 -17.833 -36.191 1.00 0.00 C ATOM 1314 OG SER A 86 0.629 -18.520 -36.725 1.00 0.00 O ATOM 0 H SER A 86 1.798 -15.775 -35.704 1.00 0.00 H new ATOM 0 HA SER A 86 0.007 -15.914 -37.028 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.757 -18.257 -35.221 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.357 -17.978 -36.844 1.00 0.00 H new ATOM 0 HG SER A 86 0.420 -19.474 -36.810 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.308 -14.184 -35.480 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.366 -13.289 -34.975 1.00 0.00 C ATOM 1322 C LEU A 87 -3.569 -13.245 -35.935 1.00 0.00 C ATOM 1323 O LEU A 87 -3.445 -12.853 -37.091 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.811 -11.858 -34.696 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.971 -11.710 -33.386 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -0.408 -10.286 -33.229 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.803 -12.117 -32.149 1.00 0.00 C ATOM 0 H LEU A 87 -0.471 -13.695 -35.798 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.717 -13.697 -34.027 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.192 -11.555 -35.541 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.650 -11.164 -34.650 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.121 -12.389 -33.463 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.170 -10.223 -32.307 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.236 -10.054 -34.077 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.230 -9.572 -33.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.197 -12.005 -31.250 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.682 -11.477 -32.075 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.118 -13.156 -32.248 1.00 0.00 H new ATOM 1339 N LYS A 88 -4.718 -13.703 -35.421 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.014 -13.643 -36.105 1.00 0.00 C ATOM 1341 C LYS A 88 -6.542 -12.191 -36.059 1.00 0.00 C ATOM 1342 O LYS A 88 -6.268 -11.497 -35.085 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.005 -14.604 -35.393 1.00 0.00 C ATOM 1344 CG LYS A 88 -6.498 -16.058 -35.254 1.00 0.00 C ATOM 1345 CD LYS A 88 -7.527 -16.984 -34.564 1.00 0.00 C ATOM 1346 CE LYS A 88 -8.805 -17.185 -35.402 1.00 0.00 C ATOM 1347 NZ LYS A 88 -9.859 -17.892 -34.640 1.00 0.00 N ATOM 0 H LYS A 88 -4.772 -14.135 -34.498 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.909 -13.948 -37.146 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.222 -14.211 -34.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.945 -14.611 -35.945 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.265 -16.453 -36.243 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.570 -16.062 -34.682 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.066 -17.953 -34.374 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.796 -16.563 -33.595 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.181 -16.215 -35.728 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.564 -17.753 -36.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.460 -18.431 -35.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.418 -18.544 -33.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.441 -17.199 -34.128 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.334 -11.715 -37.082 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.809 -10.292 -37.160 1.00 0.00 C ATOM 1363 C PRO A 89 -8.609 -9.802 -35.911 1.00 0.00 C ATOM 1364 O PRO A 89 -8.752 -8.590 -35.694 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.699 -10.288 -38.440 1.00 0.00 C ATOM 1366 CG PRO A 89 -9.037 -11.727 -38.690 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.825 -12.506 -38.247 1.00 0.00 C ATOM 0 HA PRO A 89 -6.968 -9.600 -37.193 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.600 -9.692 -38.291 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.167 -9.856 -39.288 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.923 -12.026 -38.129 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.253 -11.902 -39.744 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.081 -13.527 -37.964 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.076 -12.572 -39.036 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.100 -10.755 -35.101 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.920 -10.485 -33.898 1.00 0.00 C ATOM 1377 C GLU A 90 -9.085 -9.961 -32.698 1.00 0.00 C ATOM 1378 O GLU A 90 -9.638 -9.337 -31.783 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.656 -11.788 -33.486 1.00 0.00 C ATOM 1380 CG GLU A 90 -9.715 -12.968 -33.144 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.467 -14.237 -32.720 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.790 -15.073 -33.595 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -10.751 -14.401 -31.509 1.00 0.00 O ATOM 0 H GLU A 90 -8.939 -11.749 -35.262 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.629 -9.699 -34.157 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.286 -11.578 -32.622 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.318 -12.090 -34.297 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.095 -13.193 -34.012 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.042 -12.667 -32.341 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.757 -10.210 -32.717 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.867 -9.983 -31.547 1.00 0.00 C ATOM 1392 C ASP A 91 -6.509 -8.490 -31.325 1.00 0.00 C ATOM 1393 O ASP A 91 -5.756 -8.173 -30.390 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.562 -10.811 -31.691 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.793 -12.321 -31.898 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -6.704 -12.904 -31.269 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -5.042 -12.943 -32.671 1.00 0.00 O ATOM 0 H ASP A 91 -7.270 -10.572 -33.537 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.429 -10.311 -30.673 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.990 -10.423 -32.534 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.953 -10.667 -30.799 1.00 0.00 H new ATOM 1402 N THR A 92 -7.024 -7.594 -32.197 1.00 0.00 N ATOM 1403 CA THR A 92 -6.831 -6.138 -32.075 1.00 0.00 C ATOM 1404 C THR A 92 -7.469 -5.625 -30.761 1.00 0.00 C ATOM 1405 O THR A 92 -8.702 -5.479 -30.668 1.00 0.00 O ATOM 1406 CB THR A 92 -7.440 -5.381 -33.311 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.854 -5.878 -34.520 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.211 -3.859 -33.238 1.00 0.00 C ATOM 0 H THR A 92 -7.585 -7.864 -33.005 1.00 0.00 H new ATOM 0 HA THR A 92 -5.760 -5.937 -32.052 1.00 0.00 H new ATOM 0 HB THR A 92 -8.515 -5.562 -33.299 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.237 -5.405 -35.288 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.650 -3.383 -34.114 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.679 -3.463 -32.337 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.141 -3.653 -33.211 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.611 -5.388 -29.753 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.041 -5.031 -28.392 1.00 0.00 C ATOM 1418 C ALA A 93 -5.863 -4.503 -27.563 1.00 0.00 C ATOM 1419 O ALA A 93 -4.694 -4.705 -27.908 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.694 -6.246 -27.699 1.00 0.00 C ATOM 0 H ALA A 93 -5.598 -5.439 -29.861 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.781 -4.234 -28.467 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.007 -5.966 -26.693 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.563 -6.569 -28.273 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.974 -7.062 -27.641 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.196 -3.793 -26.478 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.223 -3.341 -25.478 1.00 0.00 C ATOM 1428 C VAL A 94 -5.053 -4.440 -24.391 1.00 0.00 C ATOM 1429 O VAL A 94 -6.015 -4.823 -23.712 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.640 -1.940 -24.866 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -7.029 -1.969 -24.185 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.562 -1.401 -23.906 1.00 0.00 C ATOM 0 H VAL A 94 -7.155 -3.515 -26.269 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.255 -3.186 -25.956 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.721 -1.252 -25.708 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.259 -0.981 -23.785 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.787 -2.250 -24.916 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.021 -2.696 -23.373 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.880 -0.439 -23.505 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.418 -2.106 -23.087 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.623 -1.276 -24.446 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.828 -4.993 -24.298 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.490 -6.079 -23.361 1.00 0.00 C ATOM 1444 C TYR A 95 -2.958 -5.518 -22.033 1.00 0.00 C ATOM 1445 O TYR A 95 -1.909 -4.878 -21.997 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.452 -7.055 -23.994 1.00 0.00 C ATOM 1447 CG TYR A 95 -3.040 -8.000 -25.057 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.077 -9.389 -24.858 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.563 -7.510 -26.255 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.602 -10.238 -25.818 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -4.092 -8.360 -27.211 1.00 0.00 C ATOM 1452 CZ TYR A 95 -4.108 -9.720 -26.991 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.632 -10.562 -27.951 1.00 0.00 O ATOM 0 H TYR A 95 -3.041 -4.696 -24.875 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.404 -6.635 -23.153 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.650 -6.471 -24.447 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.002 -7.653 -23.201 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.689 -9.803 -23.939 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.555 -6.446 -26.440 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.615 -11.304 -25.648 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.492 -7.957 -28.130 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.946 -10.033 -28.714 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.694 -5.791 -20.949 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.328 -5.391 -19.586 1.00 0.00 C ATOM 1465 C ASN A 96 -2.740 -6.588 -18.828 1.00 0.00 C ATOM 1466 O ASN A 96 -3.334 -7.670 -18.799 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.572 -4.856 -18.825 1.00 0.00 C ATOM 1468 CG ASN A 96 -5.069 -3.509 -19.350 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -5.874 -3.444 -20.285 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -4.607 -2.422 -18.744 1.00 0.00 N ATOM 0 H ASN A 96 -4.574 -6.304 -20.996 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.582 -4.599 -19.647 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.377 -5.587 -18.900 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.328 -4.758 -17.767 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.916 -1.499 -19.048 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.943 -2.510 -17.975 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.576 -6.365 -18.208 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.932 -7.327 -17.313 1.00 0.00 C ATOM 1479 C CYS A 97 -1.534 -7.153 -15.918 1.00 0.00 C ATOM 1480 O CYS A 97 -1.532 -6.047 -15.372 1.00 0.00 O ATOM 1481 CB CYS A 97 0.595 -7.096 -17.274 1.00 0.00 C ATOM 1482 SG CYS A 97 1.410 -7.343 -18.860 1.00 0.00 S ATOM 0 H CYS A 97 -1.049 -5.498 -18.317 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.103 -8.342 -17.672 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.790 -6.080 -16.930 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.036 -7.771 -16.541 1.00 0.00 H new ATOM 0 HG CYS A 97 0.851 -8.336 -19.485 1.00 0.00 H new ATOM 1488 N ALA A 98 -2.065 -8.242 -15.366 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.791 -8.245 -14.100 1.00 0.00 C ATOM 1490 C ALA A 98 -2.298 -9.404 -13.224 1.00 0.00 C ATOM 1491 O ALA A 98 -2.379 -10.570 -13.623 1.00 0.00 O ATOM 1492 CB ALA A 98 -4.296 -8.343 -14.378 1.00 0.00 C ATOM 0 H ALA A 98 -2.001 -9.165 -15.796 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.607 -7.318 -13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.841 -8.345 -13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.612 -7.489 -14.977 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.506 -9.264 -14.921 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.783 -9.069 -12.033 1.00 0.00 N ATOM 1499 CA ALA A 99 -1.166 -10.032 -11.106 1.00 0.00 C ATOM 1500 C ALA A 99 -1.914 -10.071 -9.773 1.00 0.00 C ATOM 1501 O ALA A 99 -2.767 -9.222 -9.489 1.00 0.00 O ATOM 1502 CB ALA A 99 0.310 -9.665 -10.881 1.00 0.00 C ATOM 0 H ALA A 99 -1.782 -8.112 -11.681 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.225 -11.025 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.762 -10.381 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.840 -9.691 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.375 -8.663 -10.456 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.585 -11.086 -8.971 1.00 0.00 N ATOM 1509 CA GLY A 100 -2.118 -11.227 -7.622 1.00 0.00 C ATOM 1510 C GLY A 100 -2.291 -12.684 -7.234 1.00 0.00 C ATOM 1511 O GLY A 100 -1.498 -13.548 -7.648 1.00 0.00 O ATOM 0 H GLY A 100 -0.942 -11.830 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.448 -10.739 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.079 -10.717 -7.556 1.00 0.00 H new ATOM 1664 N ASP A 111 -5.885 -8.419 -8.093 1.00 0.00 N ATOM 1665 CA ASP A 111 -5.385 -7.616 -6.956 1.00 0.00 C ATOM 1666 C ASP A 111 -4.611 -6.404 -7.485 1.00 0.00 C ATOM 1667 O ASP A 111 -4.751 -5.290 -6.980 1.00 0.00 O ATOM 1668 CB ASP A 111 -4.471 -8.481 -6.047 1.00 0.00 C ATOM 1669 CG ASP A 111 -5.237 -9.638 -5.386 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -5.369 -10.717 -6.009 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -5.727 -9.464 -4.252 1.00 0.00 O ATOM 0 HA ASP A 111 -6.232 -7.270 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.649 -8.883 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.029 -7.852 -5.274 1.00 0.00 H new ATOM 1676 N TYR A 112 -3.798 -6.654 -8.525 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.979 -5.638 -9.207 1.00 0.00 C ATOM 1678 C TYR A 112 -3.211 -5.738 -10.718 1.00 0.00 C ATOM 1679 O TYR A 112 -3.449 -6.826 -11.238 1.00 0.00 O ATOM 1680 CB TYR A 112 -1.471 -5.831 -8.870 1.00 0.00 C ATOM 1681 CG TYR A 112 -1.144 -5.549 -7.400 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.825 -6.572 -6.498 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -1.183 -4.241 -6.910 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -0.565 -6.295 -5.167 1.00 0.00 C ATOM 1685 CE2 TYR A 112 -0.919 -3.964 -5.588 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.612 -4.988 -4.721 1.00 0.00 C ATOM 1687 OH TYR A 112 -0.364 -4.701 -3.401 1.00 0.00 O ATOM 0 H TYR A 112 -3.690 -7.587 -8.923 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.273 -4.647 -8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.178 -6.853 -9.112 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.876 -5.171 -9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -0.781 -7.593 -6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.425 -3.431 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.327 -7.095 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.953 -2.945 -5.232 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.437 -3.734 -3.257 1.00 0.00 H new ATOM 1697 N TRP A 113 -3.149 -4.590 -11.401 1.00 0.00 N ATOM 1698 CA TRP A 113 -3.312 -4.490 -12.858 1.00 0.00 C ATOM 1699 C TRP A 113 -2.472 -3.320 -13.381 1.00 0.00 C ATOM 1700 O TRP A 113 -2.141 -2.390 -12.626 1.00 0.00 O ATOM 1701 CB TRP A 113 -4.816 -4.347 -13.247 1.00 0.00 C ATOM 1702 CG TRP A 113 -5.541 -3.183 -12.586 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -5.655 -1.900 -13.056 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -6.252 -3.210 -11.335 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -6.379 -1.140 -12.175 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.757 -1.917 -11.115 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.508 -4.206 -10.380 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.501 -1.589 -9.984 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.245 -3.878 -9.257 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.738 -2.579 -9.069 1.00 0.00 C ATOM 0 H TRP A 113 -2.982 -3.690 -10.952 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.956 -5.408 -13.326 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.887 -4.233 -14.329 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.333 -5.272 -12.989 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -5.236 -1.541 -13.984 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.601 -0.151 -12.291 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.136 -5.210 -10.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.878 -0.588 -9.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.444 -4.635 -8.513 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.316 -2.355 -8.185 1.00 0.00 H new ATOM 1721 N GLY A 114 -2.129 -3.382 -14.670 1.00 0.00 N ATOM 1722 CA GLY A 114 -1.266 -2.391 -15.307 1.00 0.00 C ATOM 1723 C GLY A 114 -2.033 -1.387 -16.164 1.00 0.00 C ATOM 1724 O GLY A 114 -3.264 -1.274 -16.071 1.00 0.00 O ATOM 0 H GLY A 114 -2.443 -4.121 -15.299 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.712 -1.853 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.532 -2.904 -15.929 1.00 0.00 H new ATOM 1728 N GLN A 115 -1.282 -0.694 -17.029 1.00 0.00 N ATOM 1729 CA GLN A 115 -1.768 0.415 -17.879 1.00 0.00 C ATOM 1730 C GLN A 115 -2.466 -0.131 -19.140 1.00 0.00 C ATOM 1731 O GLN A 115 -3.594 0.274 -19.469 1.00 0.00 O ATOM 1732 CB GLN A 115 -0.548 1.291 -18.273 1.00 0.00 C ATOM 1733 CG GLN A 115 0.222 1.870 -17.064 1.00 0.00 C ATOM 1734 CD GLN A 115 1.572 2.478 -17.453 1.00 0.00 C ATOM 1735 OE1 GLN A 115 2.627 1.679 -17.413 1.00 0.00 O flip ATOM 1736 NE2 GLN A 115 1.662 3.656 -17.783 1.00 0.00 N flip ATOM 0 H GLN A 115 -0.290 -0.890 -17.165 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.498 1.010 -17.330 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.137 0.694 -18.875 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.891 2.113 -18.901 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.389 2.633 -16.582 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.383 1.080 -16.330 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.829 4.245 -17.803 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.569 4.047 -18.037 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.774 -1.054 -19.827 1.00 0.00 N ATOM 1746 CA GLY A 116 -2.264 -1.671 -21.063 1.00 0.00 C ATOM 1747 C GLY A 116 -1.402 -1.297 -22.262 1.00 0.00 C ATOM 1748 O GLY A 116 -1.014 -0.132 -22.409 1.00 0.00 O ATOM 0 H GLY A 116 -0.856 -1.392 -19.537 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.276 -2.755 -20.948 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -3.292 -1.358 -21.243 1.00 0.00 H new ATOM 1752 N THR A 117 -1.108 -2.289 -23.128 1.00 0.00 N ATOM 1753 CA THR A 117 -0.346 -2.100 -24.370 1.00 0.00 C ATOM 1754 C THR A 117 -1.258 -2.387 -25.586 1.00 0.00 C ATOM 1755 O THR A 117 -1.766 -3.502 -25.761 1.00 0.00 O ATOM 1756 CB THR A 117 0.951 -2.989 -24.392 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.686 -2.768 -25.601 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.661 -4.498 -24.205 1.00 0.00 C ATOM 0 H THR A 117 -1.399 -3.255 -22.978 1.00 0.00 H new ATOM 0 HA THR A 117 -0.012 -1.064 -24.423 1.00 0.00 H new ATOM 0 HB THR A 117 1.552 -2.681 -23.537 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.492 -3.326 -25.601 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.598 -5.054 -24.230 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.170 -4.658 -23.245 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.011 -4.846 -25.008 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.499 -1.341 -26.393 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.350 -1.411 -27.585 1.00 0.00 C ATOM 1768 C GLN A 118 -1.623 -2.173 -28.709 1.00 0.00 C ATOM 1769 O GLN A 118 -0.598 -1.704 -29.226 1.00 0.00 O ATOM 1770 CB GLN A 118 -2.720 0.031 -28.044 1.00 0.00 C ATOM 1771 CG GLN A 118 -3.602 0.119 -29.311 1.00 0.00 C ATOM 1772 CD GLN A 118 -4.951 -0.601 -29.167 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -5.926 -0.020 -28.701 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -5.022 -1.858 -29.585 1.00 0.00 N ATOM 0 H GLN A 118 -1.103 -0.415 -26.232 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.267 -1.950 -27.347 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.238 0.533 -27.226 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.798 0.584 -28.225 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.782 1.168 -29.547 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.058 -0.309 -30.153 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.195 -2.316 -29.968 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.904 -2.367 -29.523 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.133 -3.373 -29.045 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.689 -4.139 -30.223 1.00 0.00 C ATOM 1785 C VAL A 119 -2.812 -4.127 -31.270 1.00 0.00 C ATOM 1786 O VAL A 119 -4.006 -4.125 -30.924 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.267 -5.631 -29.880 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.310 -5.679 -28.666 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.485 -6.574 -29.677 1.00 0.00 C ATOM 0 H VAL A 119 -2.864 -3.838 -28.507 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.792 -3.657 -30.613 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.730 -6.007 -30.751 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.040 -6.714 -28.457 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.590 -5.107 -28.890 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.805 -5.250 -27.795 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.132 -7.579 -29.445 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.097 -6.206 -28.854 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.081 -6.600 -30.589 1.00 0.00 H new ATOM 1799 N THR A 120 -2.424 -4.093 -32.539 1.00 0.00 N ATOM 1800 CA THR A 120 -3.348 -4.133 -33.670 1.00 0.00 C ATOM 1801 C THR A 120 -2.905 -5.244 -34.620 1.00 0.00 C ATOM 1802 O THR A 120 -1.709 -5.455 -34.835 1.00 0.00 O ATOM 1803 CB THR A 120 -3.378 -2.746 -34.409 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.698 -1.709 -33.469 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.392 -2.706 -35.574 1.00 0.00 C ATOM 0 H THR A 120 -1.444 -4.036 -32.817 1.00 0.00 H new ATOM 0 HA THR A 120 -4.358 -4.337 -33.314 1.00 0.00 H new ATOM 0 HB THR A 120 -2.387 -2.591 -34.836 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.715 -0.844 -33.929 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.367 -1.723 -36.045 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.132 -3.468 -36.309 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.394 -2.899 -35.191 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.871 -5.984 -35.149 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.643 -6.973 -36.194 1.00 0.00 C ATOM 1815 C VAL A 121 -4.472 -6.569 -37.422 1.00 0.00 C ATOM 1816 O VAL A 121 -5.713 -6.523 -37.372 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.934 -8.441 -35.701 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -5.269 -8.543 -34.939 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.859 -9.464 -36.870 1.00 0.00 C ATOM 0 H VAL A 121 -4.847 -5.913 -34.861 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.589 -6.985 -36.470 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.147 -8.699 -34.993 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.427 -9.573 -34.619 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.240 -7.892 -34.066 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.086 -8.237 -35.593 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.065 -10.465 -36.491 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.597 -9.204 -37.629 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.862 -9.441 -37.310 1.00 0.00 H new ATOM 1829 N SER A 122 -3.748 -6.198 -38.498 1.00 0.00 N ATOM 1830 CA SER A 122 -4.325 -5.772 -39.773 1.00 0.00 C ATOM 1831 C SER A 122 -5.215 -6.892 -40.336 1.00 0.00 C ATOM 1832 O SER A 122 -4.730 -7.983 -40.675 1.00 0.00 O ATOM 1833 CB SER A 122 -3.198 -5.392 -40.773 1.00 0.00 C ATOM 1834 OG SER A 122 -3.717 -4.870 -41.991 1.00 0.00 O ATOM 0 H SER A 122 -2.728 -6.189 -38.497 1.00 0.00 H new ATOM 0 HA SER A 122 -4.942 -4.887 -39.615 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.540 -4.654 -40.314 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.591 -6.272 -40.986 1.00 0.00 H new ATOM 0 HG SER A 122 -2.976 -4.642 -42.591 1.00 0.00 H new ATOM 1840 N SER A 123 -6.525 -6.605 -40.383 1.00 0.00 N ATOM 1841 CA SER A 123 -7.566 -7.541 -40.820 1.00 0.00 C ATOM 1842 C SER A 123 -7.546 -7.719 -42.350 1.00 0.00 C ATOM 1843 O SER A 123 -6.643 -7.202 -43.032 1.00 0.00 O ATOM 1844 CB SER A 123 -8.936 -7.015 -40.315 1.00 0.00 C ATOM 1845 OG SER A 123 -8.913 -6.852 -38.902 1.00 0.00 O ATOM 0 H SER A 123 -6.896 -5.694 -40.112 1.00 0.00 H new ATOM 0 HA SER A 123 -7.383 -8.528 -40.396 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.166 -6.063 -40.794 1.00 0.00 H new ATOM 0 HB3 SER A 123 -9.726 -7.712 -40.594 1.00 0.00 H new ATOM 0 HG SER A 123 -9.782 -6.518 -38.597 1.00 0.00 H new