USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 3 HIS :FLIP no HD1:sc= -2.79 F(o=-3.6,f=-2.7) USER MOD Set 1.2: A 81 THR OG1 : rot -79:sc= 0.119 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 1.12 USER MOD Set 2.2: A 71 SER OG : rot 98:sc= 1.18 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.276 (180deg=-1.69!) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0805) USER MOD Single : A 2 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -4.28! C(o=-7.2!,f=-4.3!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.297 F(o=-2.8!,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.344 USER MOD Single : A 65 HIS : no HE2:sc= -4.08 K(o=-4.1,f=-5.2!) USER MOD Single : A 80 THR OG1 : rot -22:sc= 0.251 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0.271 (180deg=-1.07!) USER MOD Single : A 89 GLN : amide:sc= -0.989 K(o=-0.99,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.933 14.600 -1.893 1.00 0.00 N ATOM 2 CA MET A 1 -2.375 13.476 -1.089 1.00 0.00 C ATOM 3 C MET A 1 -3.135 13.352 0.229 1.00 0.00 C ATOM 4 O MET A 1 -2.907 14.092 1.165 1.00 0.00 O ATOM 5 CB MET A 1 -0.896 13.735 -0.806 1.00 0.00 C ATOM 6 CG MET A 1 -0.090 13.495 -2.081 1.00 0.00 C ATOM 7 SD MET A 1 1.674 13.700 -1.731 1.00 0.00 S ATOM 8 CE MET A 1 1.600 15.424 -1.189 1.00 0.00 C ATOM 0 H1 MET A 1 -2.544 14.564 -2.857 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.969 14.516 -1.935 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.676 15.505 -1.449 1.00 0.00 H new ATOM 0 HA MET A 1 -2.480 12.548 -1.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.754 14.759 -0.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.545 13.077 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.282 12.491 -2.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.401 14.194 -2.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.548 15.915 -1.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.795 15.937 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.412 15.460 -0.116 1.00 0.00 H new ATOM 20 N GLN A 2 -4.033 12.411 0.309 1.00 0.00 N ATOM 21 CA GLN A 2 -4.809 12.221 1.566 1.00 0.00 C ATOM 22 C GLN A 2 -4.221 11.040 2.341 1.00 0.00 C ATOM 23 O GLN A 2 -4.169 9.930 1.850 1.00 0.00 O ATOM 24 CB GLN A 2 -6.272 11.934 1.219 1.00 0.00 C ATOM 25 CG GLN A 2 -7.100 11.862 2.502 1.00 0.00 C ATOM 26 CD GLN A 2 -7.257 13.265 3.090 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.852 14.130 2.477 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.745 13.530 4.260 1.00 0.00 N ATOM 0 H GLN A 2 -4.264 11.763 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.754 13.122 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.661 12.716 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.349 10.994 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.080 11.433 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.614 11.206 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.246 12.804 4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.844 14.463 4.661 1.00 0.00 H new ATOM 37 N HIS A 3 -3.769 11.269 3.544 1.00 0.00 N ATOM 38 CA HIS A 3 -3.178 10.156 4.339 1.00 0.00 C ATOM 39 C HIS A 3 -2.093 9.466 3.510 1.00 0.00 C ATOM 40 O HIS A 3 -1.880 8.274 3.616 1.00 0.00 O ATOM 41 CB HIS A 3 -4.266 9.144 4.703 1.00 0.00 C ATOM 42 CG HIS A 3 -5.345 9.827 5.497 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.711 9.858 5.354 1.00 0.00 N flip ATOM 44 CD2 HIS A 3 -5.064 10.599 6.616 1.00 0.00 C flip ATOM 45 CE1 HIS A 3 -7.265 10.634 6.365 1.00 0.00 C flip ATOM 46 NE2 HIS A 3 -6.234 11.057 7.098 1.00 0.00 N flip ATOM 0 H HIS A 3 -3.783 12.176 4.009 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.742 10.556 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.688 8.707 3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.837 8.326 5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.084 10.796 7.025 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.311 10.849 6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.321 11.653 7.921 1.00 0.00 H new ATOM 55 N ALA A 4 -1.407 10.206 2.683 1.00 0.00 N ATOM 56 CA ALA A 4 -0.338 9.595 1.845 1.00 0.00 C ATOM 57 C ALA A 4 0.753 9.014 2.746 1.00 0.00 C ATOM 58 O ALA A 4 1.374 8.021 2.423 1.00 0.00 O ATOM 59 CB ALA A 4 0.273 10.666 0.939 1.00 0.00 C ATOM 0 H ALA A 4 -1.541 11.209 2.552 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.768 8.800 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.056 10.220 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.501 11.082 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.700 11.460 1.551 1.00 0.00 H new ATOM 65 N SER A 5 0.997 9.628 3.872 1.00 0.00 N ATOM 66 CA SER A 5 2.054 9.113 4.787 1.00 0.00 C ATOM 67 C SER A 5 1.691 7.705 5.264 1.00 0.00 C ATOM 68 O SER A 5 2.552 6.877 5.488 1.00 0.00 O ATOM 69 CB SER A 5 2.180 10.043 5.994 1.00 0.00 C ATOM 70 OG SER A 5 1.001 9.950 6.783 1.00 0.00 O ATOM 0 H SER A 5 0.510 10.463 4.197 1.00 0.00 H new ATOM 0 HA SER A 5 3.003 9.076 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.052 9.770 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.329 11.070 5.662 1.00 0.00 H new ATOM 0 HG SER A 5 1.079 10.544 7.559 1.00 0.00 H new ATOM 76 N VAL A 6 0.427 7.422 5.420 1.00 0.00 N ATOM 77 CA VAL A 6 0.027 6.062 5.881 1.00 0.00 C ATOM 78 C VAL A 6 0.437 5.032 4.832 1.00 0.00 C ATOM 79 O VAL A 6 0.928 3.968 5.148 1.00 0.00 O ATOM 80 CB VAL A 6 -1.485 6.007 6.082 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.916 4.556 6.312 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.869 6.851 7.300 1.00 0.00 C ATOM 0 H VAL A 6 -0.343 8.069 5.249 1.00 0.00 H new ATOM 0 HA VAL A 6 0.523 5.842 6.826 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.984 6.399 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.996 4.516 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.642 3.954 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.417 4.164 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.949 6.812 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.370 6.459 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.562 7.884 7.138 1.00 0.00 H new ATOM 92 N ILE A 7 0.238 5.340 3.584 1.00 0.00 N ATOM 93 CA ILE A 7 0.614 4.379 2.512 1.00 0.00 C ATOM 94 C ILE A 7 2.113 4.088 2.591 1.00 0.00 C ATOM 95 O ILE A 7 2.542 2.955 2.501 1.00 0.00 O ATOM 96 CB ILE A 7 0.277 4.989 1.153 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.222 5.289 1.097 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.641 4.001 0.043 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.535 6.096 -0.162 1.00 0.00 C ATOM 0 H ILE A 7 -0.169 6.217 3.258 1.00 0.00 H new ATOM 0 HA ILE A 7 0.062 3.448 2.640 1.00 0.00 H new ATOM 0 HB ILE A 7 0.843 5.910 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.790 4.359 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.525 5.846 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.400 4.438 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.708 3.781 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.075 3.079 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.603 6.309 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.978 7.033 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.247 5.522 -1.043 1.00 0.00 H new ATOM 111 N ALA A 8 2.914 5.103 2.764 1.00 0.00 N ATOM 112 CA ALA A 8 4.385 4.885 2.854 1.00 0.00 C ATOM 113 C ALA A 8 4.699 4.043 4.089 1.00 0.00 C ATOM 114 O ALA A 8 5.443 3.086 4.029 1.00 0.00 O ATOM 115 CB ALA A 8 5.097 6.235 2.968 1.00 0.00 C ATOM 0 H ALA A 8 2.613 6.074 2.847 1.00 0.00 H new ATOM 0 HA ALA A 8 4.729 4.366 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.173 6.074 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.873 6.840 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.752 6.754 3.862 1.00 0.00 H new ATOM 121 N GLN A 9 4.136 4.395 5.209 1.00 0.00 N ATOM 122 CA GLN A 9 4.400 3.619 6.450 1.00 0.00 C ATOM 123 C GLN A 9 3.752 2.237 6.344 1.00 0.00 C ATOM 124 O GLN A 9 4.259 1.264 6.861 1.00 0.00 O ATOM 125 CB GLN A 9 3.861 4.392 7.666 1.00 0.00 C ATOM 126 CG GLN A 9 2.483 3.871 8.082 1.00 0.00 C ATOM 127 CD GLN A 9 2.632 2.561 8.858 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.774 1.598 8.658 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 3.536 2.413 9.656 1.00 0.00 N flip ATOM 0 H GLN A 9 3.504 5.188 5.319 1.00 0.00 H new ATOM 0 HA GLN A 9 5.474 3.482 6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.557 4.296 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.795 5.453 7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.975 4.613 8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.863 3.712 7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.207 3.166 9.812 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.624 1.536 10.170 1.00 0.00 H new ATOM 138 N PHE A 10 2.632 2.139 5.685 1.00 0.00 N ATOM 139 CA PHE A 10 1.959 0.817 5.567 1.00 0.00 C ATOM 140 C PHE A 10 2.893 -0.170 4.862 1.00 0.00 C ATOM 141 O PHE A 10 3.145 -1.254 5.344 1.00 0.00 O ATOM 142 CB PHE A 10 0.676 0.986 4.749 1.00 0.00 C ATOM 143 CG PHE A 10 -0.172 -0.259 4.847 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.098 -0.389 5.890 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.043 -1.277 3.895 1.00 0.00 C ATOM 146 CE1 PHE A 10 -1.895 -1.535 5.980 1.00 0.00 C ATOM 147 CE2 PHE A 10 -0.840 -2.425 3.986 1.00 0.00 C ATOM 148 CZ PHE A 10 -1.766 -2.554 5.028 1.00 0.00 C ATOM 0 H PHE A 10 2.155 2.914 5.225 1.00 0.00 H new ATOM 0 HA PHE A 10 1.716 0.434 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.115 1.847 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.924 1.185 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.197 0.396 6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.671 -1.177 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.610 -1.634 6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.740 -3.211 3.252 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.381 -3.439 5.098 1.00 0.00 H new ATOM 158 N VAL A 11 3.406 0.197 3.722 1.00 0.00 N ATOM 159 CA VAL A 11 4.321 -0.716 2.983 1.00 0.00 C ATOM 160 C VAL A 11 5.712 -0.742 3.635 1.00 0.00 C ATOM 161 O VAL A 11 6.299 -1.789 3.818 1.00 0.00 O ATOM 162 CB VAL A 11 4.445 -0.233 1.538 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.064 -0.231 0.881 1.00 0.00 C ATOM 164 CG2 VAL A 11 5.018 1.186 1.521 1.00 0.00 C ATOM 0 H VAL A 11 3.230 1.093 3.268 1.00 0.00 H new ATOM 0 HA VAL A 11 3.910 -1.725 3.010 1.00 0.00 H new ATOM 0 HB VAL A 11 5.109 -0.900 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.152 0.113 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.654 -1.241 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.400 0.436 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.106 1.530 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.354 1.853 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.002 1.187 1.989 1.00 0.00 H new ATOM 174 N VAL A 12 6.250 0.403 3.962 1.00 0.00 N ATOM 175 CA VAL A 12 7.615 0.452 4.573 1.00 0.00 C ATOM 176 C VAL A 12 7.638 -0.257 5.928 1.00 0.00 C ATOM 177 O VAL A 12 8.587 -0.939 6.261 1.00 0.00 O ATOM 178 CB VAL A 12 8.034 1.908 4.761 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.324 1.967 5.581 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.274 2.551 3.393 1.00 0.00 C ATOM 0 H VAL A 12 5.803 1.311 3.833 1.00 0.00 H new ATOM 0 HA VAL A 12 8.309 -0.057 3.904 1.00 0.00 H new ATOM 0 HB VAL A 12 7.244 2.447 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.623 3.007 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.157 1.509 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.113 1.427 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.573 3.591 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.063 2.011 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.357 2.510 2.806 1.00 0.00 H new ATOM 190 N GLU A 13 6.617 -0.097 6.716 1.00 0.00 N ATOM 191 CA GLU A 13 6.606 -0.759 8.052 1.00 0.00 C ATOM 192 C GLU A 13 6.736 -2.271 7.875 1.00 0.00 C ATOM 193 O GLU A 13 7.338 -2.951 8.680 1.00 0.00 O ATOM 194 CB GLU A 13 5.298 -0.439 8.775 1.00 0.00 C ATOM 195 CG GLU A 13 5.331 -1.027 10.183 1.00 0.00 C ATOM 196 CD GLU A 13 3.971 -0.822 10.854 1.00 0.00 C ATOM 197 OE1 GLU A 13 3.094 -0.267 10.213 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.830 -1.223 11.997 1.00 0.00 O ATOM 0 H GLU A 13 5.791 0.460 6.498 1.00 0.00 H new ATOM 0 HA GLU A 13 7.444 -0.390 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.153 0.640 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.454 -0.848 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.570 -2.090 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.114 -0.548 10.770 1.00 0.00 H new ATOM 205 N GLU A 14 6.169 -2.801 6.831 1.00 0.00 N ATOM 206 CA GLU A 14 6.249 -4.270 6.602 1.00 0.00 C ATOM 207 C GLU A 14 7.690 -4.694 6.302 1.00 0.00 C ATOM 208 O GLU A 14 8.130 -5.752 6.708 1.00 0.00 O ATOM 209 CB GLU A 14 5.359 -4.642 5.415 1.00 0.00 C ATOM 210 CG GLU A 14 5.322 -6.162 5.263 1.00 0.00 C ATOM 211 CD GLU A 14 4.516 -6.531 4.016 1.00 0.00 C ATOM 212 OE1 GLU A 14 4.063 -5.624 3.338 1.00 0.00 O ATOM 213 OE2 GLU A 14 4.366 -7.715 3.761 1.00 0.00 O ATOM 0 H GLU A 14 5.652 -2.280 6.123 1.00 0.00 H new ATOM 0 HA GLU A 14 5.913 -4.784 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.351 -4.256 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.741 -4.184 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.336 -6.555 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.873 -6.616 6.147 1.00 0.00 H new ATOM 220 N PHE A 15 8.422 -3.897 5.573 1.00 0.00 N ATOM 221 CA PHE A 15 9.822 -4.285 5.228 1.00 0.00 C ATOM 222 C PHE A 15 10.812 -3.727 6.255 1.00 0.00 C ATOM 223 O PHE A 15 11.571 -4.462 6.855 1.00 0.00 O ATOM 224 CB PHE A 15 10.172 -3.737 3.845 1.00 0.00 C ATOM 225 CG PHE A 15 9.080 -4.108 2.876 1.00 0.00 C ATOM 226 CD1 PHE A 15 8.948 -5.430 2.438 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.193 -3.127 2.423 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.926 -5.770 1.544 1.00 0.00 C ATOM 229 CE2 PHE A 15 7.172 -3.464 1.530 1.00 0.00 C ATOM 230 CZ PHE A 15 7.038 -4.787 1.090 1.00 0.00 C ATOM 0 H PHE A 15 8.115 -2.998 5.202 1.00 0.00 H new ATOM 0 HA PHE A 15 9.891 -5.373 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.285 -2.654 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.126 -4.144 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.634 -6.187 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.297 -2.107 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.822 -6.790 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.488 -2.706 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.249 -5.049 0.400 1.00 0.00 H new ATOM 240 N LEU A 16 10.826 -2.433 6.444 1.00 0.00 N ATOM 241 CA LEU A 16 11.789 -1.828 7.412 1.00 0.00 C ATOM 242 C LEU A 16 11.035 -0.982 8.449 1.00 0.00 C ATOM 243 O LEU A 16 10.921 0.221 8.324 1.00 0.00 O ATOM 244 CB LEU A 16 12.782 -0.950 6.639 1.00 0.00 C ATOM 245 CG LEU A 16 14.207 -1.444 6.894 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.348 -2.883 6.393 1.00 0.00 C ATOM 247 CD2 LEU A 16 15.196 -0.547 6.146 1.00 0.00 C ATOM 0 H LEU A 16 10.213 -1.770 5.970 1.00 0.00 H new ATOM 0 HA LEU A 16 12.327 -2.618 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.560 -0.984 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.685 0.090 6.952 1.00 0.00 H new ATOM 0 HG LEU A 16 14.417 -1.410 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.364 -3.234 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.642 -3.523 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.138 -2.918 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.213 -0.897 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.984 -0.583 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.097 0.479 6.501 1.00 0.00 H new ATOM 259 N PRO A 17 10.529 -1.615 9.472 1.00 0.00 N ATOM 260 CA PRO A 17 9.786 -0.932 10.557 1.00 0.00 C ATOM 261 C PRO A 17 10.718 -0.404 11.653 1.00 0.00 C ATOM 262 O PRO A 17 10.353 0.460 12.425 1.00 0.00 O ATOM 263 CB PRO A 17 8.868 -2.021 11.111 1.00 0.00 C ATOM 264 CG PRO A 17 9.464 -3.334 10.698 1.00 0.00 C ATOM 265 CD PRO A 17 10.604 -3.057 9.709 1.00 0.00 C ATOM 0 HA PRO A 17 9.249 -0.057 10.192 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.796 -1.952 12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.857 -1.913 10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.839 -3.871 11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.706 -3.966 10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.570 -3.343 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.475 -3.620 8.785 1.00 0.00 H new ATOM 273 N ASP A 18 11.921 -0.911 11.726 1.00 0.00 N ATOM 274 CA ASP A 18 12.865 -0.428 12.769 1.00 0.00 C ATOM 275 C ASP A 18 13.417 0.932 12.340 1.00 0.00 C ATOM 276 O ASP A 18 14.141 1.584 13.066 1.00 0.00 O ATOM 277 CB ASP A 18 14.008 -1.432 12.920 1.00 0.00 C ATOM 278 CG ASP A 18 14.798 -1.519 11.612 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.575 -0.686 10.750 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.613 -2.419 11.495 1.00 0.00 O ATOM 0 H ASP A 18 12.287 -1.636 11.109 1.00 0.00 H new ATOM 0 HA ASP A 18 12.352 -0.328 13.725 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.666 -1.128 13.734 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.611 -2.413 13.181 1.00 0.00 H new ATOM 285 N VAL A 19 13.049 1.367 11.168 1.00 0.00 N ATOM 286 CA VAL A 19 13.507 2.691 10.668 1.00 0.00 C ATOM 287 C VAL A 19 12.283 3.596 10.557 1.00 0.00 C ATOM 288 O VAL A 19 11.212 3.148 10.202 1.00 0.00 O ATOM 289 CB VAL A 19 14.158 2.532 9.292 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.682 3.888 8.815 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.322 1.545 9.389 1.00 0.00 C ATOM 0 H VAL A 19 12.443 0.854 10.528 1.00 0.00 H new ATOM 0 HA VAL A 19 14.241 3.121 11.350 1.00 0.00 H new ATOM 0 HB VAL A 19 13.420 2.157 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.146 3.775 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.854 4.594 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.420 4.263 9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.786 1.432 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.060 1.921 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.952 0.578 9.729 1.00 0.00 H new ATOM 301 N ALA A 20 12.410 4.855 10.863 1.00 0.00 N ATOM 302 CA ALA A 20 11.218 5.738 10.771 1.00 0.00 C ATOM 303 C ALA A 20 10.721 5.750 9.315 1.00 0.00 C ATOM 304 O ALA A 20 11.419 6.208 8.433 1.00 0.00 O ATOM 305 CB ALA A 20 11.612 7.160 11.179 1.00 0.00 C ATOM 0 H ALA A 20 13.273 5.305 11.168 1.00 0.00 H new ATOM 0 HA ALA A 20 10.432 5.372 11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.741 7.812 11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.985 7.155 12.203 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.391 7.527 10.511 1.00 0.00 H new ATOM 311 N PRO A 21 9.528 5.254 9.052 1.00 0.00 N ATOM 312 CA PRO A 21 8.981 5.231 7.668 1.00 0.00 C ATOM 313 C PRO A 21 8.782 6.644 7.114 1.00 0.00 C ATOM 314 O PRO A 21 8.955 6.891 5.937 1.00 0.00 O ATOM 315 CB PRO A 21 7.643 4.491 7.768 1.00 0.00 C ATOM 316 CG PRO A 21 7.387 4.209 9.216 1.00 0.00 C ATOM 317 CD PRO A 21 8.594 4.675 10.029 1.00 0.00 C ATOM 0 HA PRO A 21 9.670 4.738 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.839 5.096 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.675 3.563 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.486 4.726 9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.218 3.143 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.302 5.412 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.052 3.843 10.564 1.00 0.00 H new ATOM 325 N ALA A 22 8.434 7.574 7.958 1.00 0.00 N ATOM 326 CA ALA A 22 8.240 8.974 7.489 1.00 0.00 C ATOM 327 C ALA A 22 9.606 9.583 7.170 1.00 0.00 C ATOM 328 O ALA A 22 9.711 10.601 6.514 1.00 0.00 O ATOM 329 CB ALA A 22 7.557 9.793 8.586 1.00 0.00 C ATOM 0 H ALA A 22 8.275 7.425 8.954 1.00 0.00 H new ATOM 0 HA ALA A 22 7.614 8.981 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.416 10.817 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.588 9.352 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.180 9.794 9.480 1.00 0.00 H new ATOM 335 N ASP A 23 10.655 8.961 7.635 1.00 0.00 N ATOM 336 CA ASP A 23 12.022 9.487 7.370 1.00 0.00 C ATOM 337 C ASP A 23 12.563 8.848 6.094 1.00 0.00 C ATOM 338 O ASP A 23 13.687 9.083 5.694 1.00 0.00 O ATOM 339 CB ASP A 23 12.941 9.142 8.545 1.00 0.00 C ATOM 340 CG ASP A 23 12.480 9.899 9.792 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.673 10.802 9.649 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.943 9.561 10.870 1.00 0.00 O ATOM 0 H ASP A 23 10.622 8.106 8.190 1.00 0.00 H new ATOM 0 HA ASP A 23 11.983 10.570 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.924 8.068 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.971 9.407 8.305 1.00 0.00 H new ATOM 347 N VAL A 24 11.766 8.047 5.447 1.00 0.00 N ATOM 348 CA VAL A 24 12.221 7.394 4.192 1.00 0.00 C ATOM 349 C VAL A 24 11.613 8.141 3.008 1.00 0.00 C ATOM 350 O VAL A 24 10.454 8.507 3.024 1.00 0.00 O ATOM 351 CB VAL A 24 11.758 5.937 4.172 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.305 5.243 2.924 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.278 5.222 5.421 1.00 0.00 C ATOM 0 H VAL A 24 10.815 7.816 5.735 1.00 0.00 H new ATOM 0 HA VAL A 24 13.309 7.420 4.132 1.00 0.00 H new ATOM 0 HB VAL A 24 10.669 5.902 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.974 4.204 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.937 5.752 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.394 5.277 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.949 4.183 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.367 5.258 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.889 5.715 6.311 1.00 0.00 H new ATOM 363 N ASP A 25 12.382 8.385 1.987 1.00 0.00 N ATOM 364 CA ASP A 25 11.837 9.123 0.818 1.00 0.00 C ATOM 365 C ASP A 25 10.660 8.347 0.228 1.00 0.00 C ATOM 366 O ASP A 25 10.834 7.436 -0.556 1.00 0.00 O ATOM 367 CB ASP A 25 12.929 9.277 -0.242 1.00 0.00 C ATOM 368 CG ASP A 25 14.036 10.188 0.293 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.808 10.832 1.303 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.091 10.226 -0.318 1.00 0.00 O ATOM 0 H ASP A 25 13.360 8.107 1.911 1.00 0.00 H new ATOM 0 HA ASP A 25 11.498 10.109 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.340 8.301 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.507 9.697 -1.155 1.00 0.00 H new ATOM 375 N VAL A 26 9.459 8.709 0.593 1.00 0.00 N ATOM 376 CA VAL A 26 8.269 7.996 0.045 1.00 0.00 C ATOM 377 C VAL A 26 8.236 8.162 -1.476 1.00 0.00 C ATOM 378 O VAL A 26 7.312 7.732 -2.138 1.00 0.00 O ATOM 379 CB VAL A 26 6.996 8.590 0.651 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.087 8.543 2.177 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.846 10.043 0.195 1.00 0.00 C ATOM 0 H VAL A 26 9.251 9.465 1.245 1.00 0.00 H new ATOM 0 HA VAL A 26 8.330 6.937 0.295 1.00 0.00 H new ATOM 0 HB VAL A 26 6.132 8.013 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.180 8.966 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.196 7.509 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.950 9.121 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.939 10.468 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.710 10.619 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.782 10.078 -0.893 1.00 0.00 H new ATOM 391 N ASP A 27 9.246 8.771 -2.035 1.00 0.00 N ATOM 392 CA ASP A 27 9.284 8.953 -3.512 1.00 0.00 C ATOM 393 C ASP A 27 9.980 7.744 -4.137 1.00 0.00 C ATOM 394 O ASP A 27 10.303 7.734 -5.309 1.00 0.00 O ATOM 395 CB ASP A 27 10.063 10.226 -3.852 1.00 0.00 C ATOM 396 CG ASP A 27 9.294 11.446 -3.343 1.00 0.00 C ATOM 397 OD1 ASP A 27 8.135 11.289 -2.995 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.876 12.518 -3.311 1.00 0.00 O ATOM 0 H ASP A 27 10.047 9.151 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 27 8.270 9.041 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.053 10.191 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.209 10.299 -4.930 1.00 0.00 H new ATOM 403 N LEU A 28 10.213 6.723 -3.357 1.00 0.00 N ATOM 404 CA LEU A 28 10.890 5.509 -3.891 1.00 0.00 C ATOM 405 C LEU A 28 9.859 4.608 -4.559 1.00 0.00 C ATOM 406 O LEU A 28 8.801 4.350 -4.020 1.00 0.00 O ATOM 407 CB LEU A 28 11.557 4.750 -2.744 1.00 0.00 C ATOM 408 CG LEU A 28 12.358 3.571 -3.303 1.00 0.00 C ATOM 409 CD1 LEU A 28 13.568 4.088 -4.087 1.00 0.00 C ATOM 410 CD2 LEU A 28 12.842 2.693 -2.147 1.00 0.00 C ATOM 0 H LEU A 28 9.962 6.679 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 28 11.645 5.805 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.215 5.418 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.802 4.390 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 28 11.721 2.988 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.133 3.244 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.227 4.714 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.206 4.675 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.413 1.853 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.476 3.282 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.983 2.318 -1.590 1.00 0.00 H new ATOM 422 N ASP A 29 10.158 4.126 -5.731 1.00 0.00 N ATOM 423 CA ASP A 29 9.192 3.244 -6.429 1.00 0.00 C ATOM 424 C ASP A 29 9.036 1.951 -5.634 1.00 0.00 C ATOM 425 O ASP A 29 9.993 1.246 -5.382 1.00 0.00 O ATOM 426 CB ASP A 29 9.707 2.925 -7.834 1.00 0.00 C ATOM 427 CG ASP A 29 9.714 4.201 -8.677 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.120 5.176 -8.246 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.313 4.183 -9.740 1.00 0.00 O ATOM 0 H ASP A 29 11.028 4.305 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 29 8.228 3.746 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.712 2.508 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.075 2.171 -8.302 1.00 0.00 H new ATOM 434 N LEU A 30 7.838 1.634 -5.231 1.00 0.00 N ATOM 435 CA LEU A 30 7.632 0.388 -4.448 1.00 0.00 C ATOM 436 C LEU A 30 8.001 -0.815 -5.313 1.00 0.00 C ATOM 437 O LEU A 30 7.978 -1.943 -4.864 1.00 0.00 O ATOM 438 CB LEU A 30 6.168 0.271 -4.013 1.00 0.00 C ATOM 439 CG LEU A 30 5.777 1.485 -3.170 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.333 1.322 -2.690 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.707 1.586 -1.958 1.00 0.00 C ATOM 0 H LEU A 30 6.997 2.182 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 30 8.263 0.416 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.523 0.203 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.022 -0.644 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 30 5.864 2.390 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.050 2.186 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.670 1.247 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.250 0.417 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.428 2.451 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.619 0.682 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.737 1.697 -2.298 1.00 0.00 H new ATOM 453 N VAL A 31 8.342 -0.592 -6.554 1.00 0.00 N ATOM 454 CA VAL A 31 8.705 -1.741 -7.424 1.00 0.00 C ATOM 455 C VAL A 31 9.738 -2.587 -6.690 1.00 0.00 C ATOM 456 O VAL A 31 9.645 -3.798 -6.641 1.00 0.00 O ATOM 457 CB VAL A 31 9.298 -1.231 -8.737 1.00 0.00 C ATOM 458 CG1 VAL A 31 9.906 -2.401 -9.512 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.197 -0.583 -9.575 1.00 0.00 C ATOM 0 H VAL A 31 8.384 0.326 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 31 7.819 -2.335 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 31 10.073 -0.495 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.329 -2.037 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.692 -2.864 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.131 -3.137 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.619 -0.219 -10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.421 -1.319 -9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.764 0.252 -9.024 1.00 0.00 H new ATOM 469 N ASP A 32 10.703 -1.956 -6.086 1.00 0.00 N ATOM 470 CA ASP A 32 11.716 -2.727 -5.318 1.00 0.00 C ATOM 471 C ASP A 32 10.961 -3.547 -4.277 1.00 0.00 C ATOM 472 O ASP A 32 11.318 -4.663 -3.956 1.00 0.00 O ATOM 473 CB ASP A 32 12.683 -1.765 -4.622 1.00 0.00 C ATOM 474 CG ASP A 32 13.523 -1.037 -5.672 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.493 -1.452 -6.819 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.183 -0.076 -5.312 1.00 0.00 O ATOM 0 H ASP A 32 10.834 -0.944 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 32 12.295 -3.374 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.127 -1.044 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.331 -2.315 -3.940 1.00 0.00 H new ATOM 481 N ASN A 33 9.895 -2.991 -3.770 1.00 0.00 N ATOM 482 CA ASN A 33 9.064 -3.707 -2.769 1.00 0.00 C ATOM 483 C ASN A 33 8.117 -4.647 -3.514 1.00 0.00 C ATOM 484 O ASN A 33 7.126 -5.101 -2.978 1.00 0.00 O ATOM 485 CB ASN A 33 8.255 -2.701 -1.951 1.00 0.00 C ATOM 486 CG ASN A 33 9.207 -1.761 -1.208 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.495 -1.884 -1.382 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 8.775 -0.904 -0.463 1.00 0.00 N flip ATOM 0 H ASN A 33 9.562 -2.058 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 33 9.702 -4.275 -2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.599 -2.128 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.616 -3.225 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.769 -0.807 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.418 -0.282 0.026 1.00 0.00 H new ATOM 495 N GLY A 34 8.412 -4.918 -4.762 1.00 0.00 N ATOM 496 CA GLY A 34 7.537 -5.812 -5.576 1.00 0.00 C ATOM 497 C GLY A 34 7.080 -7.000 -4.730 1.00 0.00 C ATOM 498 O GLY A 34 6.142 -7.687 -5.064 1.00 0.00 O ATOM 0 H GLY A 34 9.228 -4.554 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.671 -5.257 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.079 -6.166 -6.453 1.00 0.00 H new ATOM 502 N VAL A 35 7.714 -7.238 -3.625 1.00 0.00 N ATOM 503 CA VAL A 35 7.278 -8.368 -2.767 1.00 0.00 C ATOM 504 C VAL A 35 5.775 -8.215 -2.548 1.00 0.00 C ATOM 505 O VAL A 35 5.025 -9.171 -2.577 1.00 0.00 O ATOM 506 CB VAL A 35 8.005 -8.299 -1.422 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.393 -9.311 -0.453 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.488 -8.620 -1.624 1.00 0.00 C ATOM 0 H VAL A 35 8.511 -6.704 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 35 7.506 -9.325 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 35 7.903 -7.295 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.913 -9.259 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.338 -9.081 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.491 -10.315 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.005 -8.571 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.590 -9.622 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.927 -7.896 -2.311 1.00 0.00 H new ATOM 518 N ILE A 36 5.334 -7.003 -2.352 1.00 0.00 N ATOM 519 CA ILE A 36 3.882 -6.753 -2.157 1.00 0.00 C ATOM 520 C ILE A 36 3.155 -6.958 -3.488 1.00 0.00 C ATOM 521 O ILE A 36 1.955 -7.131 -3.530 1.00 0.00 O ATOM 522 CB ILE A 36 3.673 -5.313 -1.681 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.268 -5.166 -1.097 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.827 -4.355 -2.861 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.109 -3.770 -0.492 1.00 0.00 C ATOM 0 H ILE A 36 5.923 -6.171 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 36 3.487 -7.443 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 36 4.415 -5.077 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.521 -5.324 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.099 -5.926 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.678 -3.331 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.827 -4.455 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.086 -4.595 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.107 -3.666 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.847 -3.630 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.260 -3.018 -1.267 1.00 0.00 H new ATOM 537 N ASP A 37 3.888 -6.916 -4.571 1.00 0.00 N ATOM 538 CA ASP A 37 3.282 -7.081 -5.931 1.00 0.00 C ATOM 539 C ASP A 37 2.054 -7.986 -5.891 1.00 0.00 C ATOM 540 O ASP A 37 0.938 -7.527 -6.026 1.00 0.00 O ATOM 541 CB ASP A 37 4.323 -7.689 -6.879 1.00 0.00 C ATOM 542 CG ASP A 37 3.710 -7.913 -8.264 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.590 -8.390 -8.330 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.380 -7.612 -9.238 1.00 0.00 O ATOM 0 H ASP A 37 4.898 -6.772 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 37 2.971 -6.098 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.185 -7.026 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.684 -8.635 -6.476 1.00 0.00 H new ATOM 549 N SER A 38 2.249 -9.268 -5.748 1.00 0.00 N ATOM 550 CA SER A 38 1.078 -10.198 -5.751 1.00 0.00 C ATOM 551 C SER A 38 0.889 -10.885 -4.396 1.00 0.00 C ATOM 552 O SER A 38 -0.226 -11.109 -3.967 1.00 0.00 O ATOM 553 CB SER A 38 1.286 -11.258 -6.832 1.00 0.00 C ATOM 554 OG SER A 38 1.687 -10.616 -8.049 1.00 0.00 O ATOM 0 H SER A 38 3.160 -9.712 -5.630 1.00 0.00 H new ATOM 0 HA SER A 38 0.182 -9.612 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.046 -11.973 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.365 -11.820 -6.989 1.00 0.00 H new ATOM 559 N LEU A 39 1.944 -11.249 -3.724 1.00 0.00 N ATOM 560 CA LEU A 39 1.760 -11.945 -2.420 1.00 0.00 C ATOM 561 C LEU A 39 1.143 -10.990 -1.401 1.00 0.00 C ATOM 562 O LEU A 39 0.124 -11.274 -0.805 1.00 0.00 O ATOM 563 CB LEU A 39 3.115 -12.430 -1.902 1.00 0.00 C ATOM 564 CG LEU A 39 3.615 -13.602 -2.753 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.318 -13.076 -4.007 1.00 0.00 C ATOM 566 CD2 LEU A 39 4.599 -14.436 -1.931 1.00 0.00 C ATOM 0 H LEU A 39 2.910 -11.099 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 39 1.095 -12.797 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.838 -11.614 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.026 -12.739 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 39 2.767 -14.218 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.670 -13.916 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.619 -12.480 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.167 -12.457 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.958 -15.272 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.443 -13.814 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.098 -14.818 -1.041 1.00 0.00 H new ATOM 578 N GLY A 40 1.748 -9.857 -1.202 1.00 0.00 N ATOM 579 CA GLY A 40 1.192 -8.878 -0.228 1.00 0.00 C ATOM 580 C GLY A 40 -0.057 -8.208 -0.803 1.00 0.00 C ATOM 581 O GLY A 40 -1.029 -7.987 -0.108 1.00 0.00 O ATOM 0 H GLY A 40 2.605 -9.564 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.945 -9.384 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.942 -8.123 0.008 1.00 0.00 H new ATOM 585 N LEU A 41 -0.036 -7.866 -2.066 1.00 0.00 N ATOM 586 CA LEU A 41 -1.221 -7.191 -2.669 1.00 0.00 C ATOM 587 C LEU A 41 -2.451 -8.076 -2.490 1.00 0.00 C ATOM 588 O LEU A 41 -3.500 -7.619 -2.086 1.00 0.00 O ATOM 589 CB LEU A 41 -0.972 -6.958 -4.164 1.00 0.00 C ATOM 590 CG LEU A 41 -2.142 -6.181 -4.779 1.00 0.00 C ATOM 591 CD1 LEU A 41 -2.054 -4.703 -4.388 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.085 -6.307 -6.303 1.00 0.00 C ATOM 0 H LEU A 41 0.746 -8.024 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.385 -6.233 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.044 -6.404 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.852 -7.914 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.081 -6.592 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.889 -4.159 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.094 -4.611 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.116 -4.285 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.915 -5.756 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.143 -5.897 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.156 -7.358 -6.584 1.00 0.00 H new ATOM 604 N LEU A 42 -2.332 -9.341 -2.769 1.00 0.00 N ATOM 605 CA LEU A 42 -3.502 -10.242 -2.592 1.00 0.00 C ATOM 606 C LEU A 42 -3.863 -10.273 -1.108 1.00 0.00 C ATOM 607 O LEU A 42 -5.019 -10.255 -0.732 1.00 0.00 O ATOM 608 CB LEU A 42 -3.142 -11.652 -3.066 1.00 0.00 C ATOM 609 CG LEU A 42 -4.389 -12.532 -3.048 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.153 -12.343 -4.354 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.978 -13.999 -2.902 1.00 0.00 C ATOM 0 H LEU A 42 -1.481 -9.789 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.348 -9.880 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.727 -11.613 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.374 -12.079 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.024 -12.252 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.045 -12.969 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.444 -11.298 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.517 -12.627 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.869 -14.627 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.345 -14.285 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.427 -14.132 -1.971 1.00 0.00 H new ATOM 623 N LYS A 43 -2.869 -10.310 -0.264 1.00 0.00 N ATOM 624 CA LYS A 43 -3.120 -10.331 1.203 1.00 0.00 C ATOM 625 C LYS A 43 -3.824 -9.039 1.624 1.00 0.00 C ATOM 626 O LYS A 43 -4.695 -9.040 2.471 1.00 0.00 O ATOM 627 CB LYS A 43 -1.781 -10.432 1.930 1.00 0.00 C ATOM 628 CG LYS A 43 -2.018 -10.595 3.432 1.00 0.00 C ATOM 629 CD LYS A 43 -0.668 -10.704 4.149 1.00 0.00 C ATOM 630 CE LYS A 43 0.027 -9.339 4.162 1.00 0.00 C ATOM 631 NZ LYS A 43 1.056 -9.319 5.239 1.00 0.00 N ATOM 0 H LYS A 43 -1.885 -10.327 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.750 -11.184 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.213 -11.280 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.186 -9.538 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.580 -9.744 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.617 -11.485 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.816 -11.056 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.038 -11.438 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.492 -9.146 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.704 -8.548 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.529 -8.393 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.599 -9.485 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.759 -10.065 5.062 1.00 0.00 H new ATOM 645 N VAL A 44 -3.437 -7.934 1.047 1.00 0.00 N ATOM 646 CA VAL A 44 -4.062 -6.633 1.417 1.00 0.00 C ATOM 647 C VAL A 44 -5.562 -6.657 1.121 1.00 0.00 C ATOM 648 O VAL A 44 -6.365 -6.226 1.921 1.00 0.00 O ATOM 649 CB VAL A 44 -3.407 -5.514 0.609 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.184 -4.214 0.814 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.965 -5.328 1.084 1.00 0.00 C ATOM 0 H VAL A 44 -2.712 -7.877 0.332 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.916 -6.461 2.483 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.413 -5.775 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.716 -3.416 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.213 -4.348 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.178 -3.949 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.493 -4.530 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.961 -5.065 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.412 -6.256 0.939 1.00 0.00 H new ATOM 661 N ILE A 45 -5.948 -7.147 -0.021 1.00 0.00 N ATOM 662 CA ILE A 45 -7.394 -7.183 -0.360 1.00 0.00 C ATOM 663 C ILE A 45 -8.148 -8.034 0.664 1.00 0.00 C ATOM 664 O ILE A 45 -9.200 -7.659 1.141 1.00 0.00 O ATOM 665 CB ILE A 45 -7.566 -7.792 -1.751 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.735 -7.009 -2.774 1.00 0.00 C ATOM 667 CG2 ILE A 45 -9.036 -7.732 -2.143 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.052 -5.515 -2.670 1.00 0.00 C ATOM 0 H ILE A 45 -5.324 -7.524 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.795 -6.169 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.227 -8.828 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.673 -7.177 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.951 -7.366 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.166 -8.165 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.628 -8.294 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.368 -6.694 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.458 -4.965 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.111 -5.353 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.813 -5.161 -1.667 1.00 0.00 H new ATOM 680 N ALA A 46 -7.623 -9.179 1.000 1.00 0.00 N ATOM 681 CA ALA A 46 -8.316 -10.054 1.988 1.00 0.00 C ATOM 682 C ALA A 46 -8.334 -9.376 3.358 1.00 0.00 C ATOM 683 O ALA A 46 -9.338 -9.362 4.042 1.00 0.00 O ATOM 684 CB ALA A 46 -7.566 -11.381 2.091 1.00 0.00 C ATOM 0 H ALA A 46 -6.745 -9.547 0.634 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.341 -10.230 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.067 -12.027 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.552 -11.868 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.543 -11.196 2.419 1.00 0.00 H new ATOM 690 N TRP A 47 -7.232 -8.811 3.764 1.00 0.00 N ATOM 691 CA TRP A 47 -7.187 -8.131 5.087 1.00 0.00 C ATOM 692 C TRP A 47 -7.998 -6.839 5.021 1.00 0.00 C ATOM 693 O TRP A 47 -8.698 -6.484 5.949 1.00 0.00 O ATOM 694 CB TRP A 47 -5.734 -7.815 5.444 1.00 0.00 C ATOM 695 CG TRP A 47 -5.680 -6.586 6.292 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.786 -6.562 7.640 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.504 -5.206 5.869 1.00 0.00 C ATOM 698 NE1 TRP A 47 -5.685 -5.250 8.071 1.00 0.00 N ATOM 699 CE2 TRP A 47 -5.510 -4.378 7.015 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.341 -4.599 4.613 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.358 -2.994 6.916 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.188 -3.209 4.508 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.196 -2.408 5.657 1.00 0.00 C ATOM 0 H TRP A 47 -6.360 -8.791 3.236 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.612 -8.782 5.851 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.289 -8.656 5.976 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.150 -7.668 4.536 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.926 -7.424 8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.734 -4.963 9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.333 -5.208 3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.365 -2.381 7.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.063 -2.754 3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.077 -1.338 5.570 1.00 0.00 H new ATOM 714 N LEU A 48 -7.908 -6.131 3.930 1.00 0.00 N ATOM 715 CA LEU A 48 -8.669 -4.862 3.801 1.00 0.00 C ATOM 716 C LEU A 48 -10.163 -5.150 3.955 1.00 0.00 C ATOM 717 O LEU A 48 -10.875 -4.437 4.634 1.00 0.00 O ATOM 718 CB LEU A 48 -8.401 -4.263 2.419 1.00 0.00 C ATOM 719 CG LEU A 48 -9.021 -2.878 2.326 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.021 -1.859 2.858 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.344 -2.565 0.864 1.00 0.00 C ATOM 0 H LEU A 48 -7.338 -6.379 3.121 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.357 -4.159 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.327 -4.203 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.816 -4.910 1.646 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.939 -2.838 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.452 -0.860 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.784 -2.090 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.110 -1.897 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.789 -1.572 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.428 -2.594 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.046 -3.305 0.480 1.00 0.00 H new ATOM 733 N GLU A 49 -10.642 -6.197 3.340 1.00 0.00 N ATOM 734 CA GLU A 49 -12.087 -6.535 3.467 1.00 0.00 C ATOM 735 C GLU A 49 -12.393 -6.886 4.921 1.00 0.00 C ATOM 736 O GLU A 49 -13.396 -6.487 5.472 1.00 0.00 O ATOM 737 CB GLU A 49 -12.408 -7.730 2.560 1.00 0.00 C ATOM 738 CG GLU A 49 -13.864 -8.153 2.743 1.00 0.00 C ATOM 739 CD GLU A 49 -14.161 -9.360 1.851 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.245 -9.826 1.195 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.300 -9.796 1.839 1.00 0.00 O ATOM 0 H GLU A 49 -10.096 -6.831 2.757 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.697 -5.683 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.227 -7.465 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.747 -8.564 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.052 -8.404 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.528 -7.327 2.489 1.00 0.00 H new ATOM 748 N ASP A 50 -11.531 -7.630 5.548 1.00 0.00 N ATOM 749 CA ASP A 50 -11.768 -8.008 6.967 1.00 0.00 C ATOM 750 C ASP A 50 -11.743 -6.762 7.856 1.00 0.00 C ATOM 751 O ASP A 50 -12.482 -6.655 8.814 1.00 0.00 O ATOM 752 CB ASP A 50 -10.668 -8.966 7.416 1.00 0.00 C ATOM 753 CG ASP A 50 -10.999 -9.510 8.807 1.00 0.00 C ATOM 754 OD1 ASP A 50 -11.749 -10.470 8.883 1.00 0.00 O ATOM 755 OD2 ASP A 50 -10.497 -8.959 9.773 1.00 0.00 O ATOM 0 H ASP A 50 -10.670 -7.994 5.139 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.743 -8.487 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.575 -9.788 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.708 -8.450 7.435 1.00 0.00 H new ATOM 760 N ARG A 51 -10.873 -5.836 7.565 1.00 0.00 N ATOM 761 CA ARG A 51 -10.768 -4.614 8.413 1.00 0.00 C ATOM 762 C ARG A 51 -11.758 -3.526 7.972 1.00 0.00 C ATOM 763 O ARG A 51 -12.422 -2.924 8.792 1.00 0.00 O ATOM 764 CB ARG A 51 -9.343 -4.064 8.320 1.00 0.00 C ATOM 765 CG ARG A 51 -9.157 -2.944 9.346 1.00 0.00 C ATOM 766 CD ARG A 51 -7.744 -2.368 9.220 1.00 0.00 C ATOM 767 NE ARG A 51 -7.500 -1.397 10.324 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.144 -0.262 10.354 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.007 0.024 9.419 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.924 0.587 11.321 1.00 0.00 N ATOM 0 H ARG A 51 -10.228 -5.872 6.775 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.010 -4.892 9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.622 -4.861 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.153 -3.686 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.897 -2.160 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.316 -3.329 10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.008 -3.171 9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.626 -1.874 8.255 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.828 -1.620 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.179 -0.639 8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.510 0.911 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.249 0.363 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.427 1.474 11.345 1.00 0.00 H new ATOM 784 N PHE A 52 -11.839 -3.232 6.698 1.00 0.00 N ATOM 785 CA PHE A 52 -12.755 -2.146 6.250 1.00 0.00 C ATOM 786 C PHE A 52 -14.063 -2.710 5.687 1.00 0.00 C ATOM 787 O PHE A 52 -14.974 -1.969 5.374 1.00 0.00 O ATOM 788 CB PHE A 52 -12.044 -1.329 5.174 1.00 0.00 C ATOM 789 CG PHE A 52 -10.827 -0.672 5.777 1.00 0.00 C ATOM 790 CD1 PHE A 52 -10.961 0.518 6.501 1.00 0.00 C ATOM 791 CD2 PHE A 52 -9.566 -1.256 5.616 1.00 0.00 C ATOM 792 CE1 PHE A 52 -9.832 1.125 7.064 1.00 0.00 C ATOM 793 CE2 PHE A 52 -8.437 -0.649 6.177 1.00 0.00 C ATOM 794 CZ PHE A 52 -8.570 0.541 6.902 1.00 0.00 C ATOM 0 H PHE A 52 -11.314 -3.695 5.956 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.007 -1.522 7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.752 -1.973 4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.717 -0.574 4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.935 0.968 6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.464 -2.175 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.935 2.043 7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.463 -1.099 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.699 1.009 7.336 1.00 0.00 H new ATOM 804 N GLY A 53 -14.180 -4.000 5.555 1.00 0.00 N ATOM 805 CA GLY A 53 -15.450 -4.564 5.012 1.00 0.00 C ATOM 806 C GLY A 53 -15.564 -4.230 3.524 1.00 0.00 C ATOM 807 O GLY A 53 -16.648 -4.154 2.979 1.00 0.00 O ATOM 0 H GLY A 53 -13.462 -4.683 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.471 -5.644 5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.303 -4.154 5.554 1.00 0.00 H new ATOM 811 N ILE A 54 -14.459 -4.025 2.859 1.00 0.00 N ATOM 812 CA ILE A 54 -14.521 -3.691 1.406 1.00 0.00 C ATOM 813 C ILE A 54 -14.499 -4.977 0.579 1.00 0.00 C ATOM 814 O ILE A 54 -13.786 -5.909 0.880 1.00 0.00 O ATOM 815 CB ILE A 54 -13.323 -2.819 1.033 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.364 -1.527 1.852 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.382 -2.480 -0.458 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.067 -0.746 1.640 1.00 0.00 C ATOM 0 H ILE A 54 -13.521 -4.074 3.256 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.443 -3.148 1.199 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.399 -3.357 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.219 -0.921 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.493 -1.758 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.527 -1.858 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.357 -3.400 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.304 -1.940 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.097 0.174 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.220 -1.352 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.958 -0.502 0.583 1.00 0.00 H new ATOM 830 N ALA A 55 -15.282 -5.031 -0.462 1.00 0.00 N ATOM 831 CA ALA A 55 -15.325 -6.255 -1.312 1.00 0.00 C ATOM 832 C ALA A 55 -13.948 -6.510 -1.923 1.00 0.00 C ATOM 833 O ALA A 55 -13.133 -5.617 -2.043 1.00 0.00 O ATOM 834 CB ALA A 55 -16.350 -6.062 -2.431 1.00 0.00 C ATOM 0 H ALA A 55 -15.898 -4.276 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.610 -7.109 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.382 -6.956 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.334 -5.886 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.065 -5.205 -3.042 1.00 0.00 H new ATOM 840 N ALA A 56 -13.679 -7.731 -2.298 1.00 0.00 N ATOM 841 CA ALA A 56 -12.351 -8.054 -2.888 1.00 0.00 C ATOM 842 C ALA A 56 -12.094 -7.162 -4.103 1.00 0.00 C ATOM 843 O ALA A 56 -10.985 -6.725 -4.336 1.00 0.00 O ATOM 844 CB ALA A 56 -12.331 -9.521 -3.322 1.00 0.00 C ATOM 0 H ALA A 56 -14.323 -8.519 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.574 -7.881 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.359 -9.759 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.509 -10.159 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.110 -9.691 -4.065 1.00 0.00 H new ATOM 850 N ASP A 57 -13.103 -6.884 -4.880 1.00 0.00 N ATOM 851 CA ASP A 57 -12.893 -6.017 -6.072 1.00 0.00 C ATOM 852 C ASP A 57 -11.741 -6.585 -6.901 1.00 0.00 C ATOM 853 O ASP A 57 -10.797 -5.892 -7.226 1.00 0.00 O ATOM 854 CB ASP A 57 -12.550 -4.599 -5.621 1.00 0.00 C ATOM 855 CG ASP A 57 -13.745 -3.993 -4.883 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.826 -4.548 -4.991 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.559 -2.984 -4.222 1.00 0.00 O ATOM 0 H ASP A 57 -14.057 -7.217 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.802 -5.990 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.677 -4.615 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.292 -3.984 -6.484 1.00 0.00 H new ATOM 862 N ASP A 58 -11.799 -7.846 -7.229 1.00 0.00 N ATOM 863 CA ASP A 58 -10.695 -8.460 -8.019 1.00 0.00 C ATOM 864 C ASP A 58 -10.624 -7.814 -9.402 1.00 0.00 C ATOM 865 O ASP A 58 -11.464 -8.035 -10.252 1.00 0.00 O ATOM 866 CB ASP A 58 -10.951 -9.958 -8.170 1.00 0.00 C ATOM 867 CG ASP A 58 -9.756 -10.614 -8.865 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.777 -9.924 -9.094 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.841 -11.796 -9.156 1.00 0.00 O ATOM 0 H ASP A 58 -12.562 -8.477 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.750 -8.300 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.109 -10.411 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.859 -10.126 -8.749 1.00 0.00 H new ATOM 874 N VAL A 59 -9.616 -7.018 -9.630 1.00 0.00 N ATOM 875 CA VAL A 59 -9.460 -6.349 -10.951 1.00 0.00 C ATOM 876 C VAL A 59 -7.995 -6.439 -11.380 1.00 0.00 C ATOM 877 O VAL A 59 -7.101 -6.419 -10.558 1.00 0.00 O ATOM 878 CB VAL A 59 -9.875 -4.881 -10.832 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.947 -4.164 -9.849 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.775 -4.213 -12.205 1.00 0.00 C ATOM 0 H VAL A 59 -8.887 -6.801 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.091 -6.838 -11.693 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.901 -4.822 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.244 -3.118 -9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.015 -4.640 -8.871 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.920 -4.222 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.070 -3.167 -12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.748 -4.273 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.436 -4.722 -12.906 1.00 0.00 H new ATOM 890 N GLU A 60 -7.734 -6.543 -12.654 1.00 0.00 N ATOM 891 CA GLU A 60 -6.318 -6.639 -13.104 1.00 0.00 C ATOM 892 C GLU A 60 -5.693 -5.246 -13.156 1.00 0.00 C ATOM 893 O GLU A 60 -6.215 -4.341 -13.778 1.00 0.00 O ATOM 894 CB GLU A 60 -6.259 -7.274 -14.493 1.00 0.00 C ATOM 895 CG GLU A 60 -4.803 -7.417 -14.915 1.00 0.00 C ATOM 896 CD GLU A 60 -4.729 -8.052 -16.305 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.777 -8.299 -16.878 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.626 -8.279 -16.773 1.00 0.00 O ATOM 0 H GLU A 60 -8.433 -6.565 -13.396 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.763 -7.257 -12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.744 -8.250 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.800 -6.658 -15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.320 -6.440 -14.925 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.264 -8.032 -14.194 1.00 0.00 H new ATOM 905 N LEU A 61 -4.573 -5.074 -12.506 1.00 0.00 N ATOM 906 CA LEU A 61 -3.895 -3.750 -12.502 1.00 0.00 C ATOM 907 C LEU A 61 -2.536 -3.868 -13.196 1.00 0.00 C ATOM 908 O LEU A 61 -1.834 -4.847 -13.042 1.00 0.00 O ATOM 909 CB LEU A 61 -3.693 -3.296 -11.056 1.00 0.00 C ATOM 910 CG LEU A 61 -5.027 -3.341 -10.315 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.856 -2.750 -8.915 1.00 0.00 C ATOM 912 CD2 LEU A 61 -6.070 -2.532 -11.087 1.00 0.00 C ATOM 0 H LEU A 61 -4.097 -5.802 -11.974 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.508 -3.022 -13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.968 -3.941 -10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.287 -2.284 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.359 -4.376 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.809 -2.783 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.116 -3.329 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.521 -1.716 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.022 -2.565 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.738 -1.497 -11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.195 -2.956 -12.083 1.00 0.00 H new ATOM 924 N SER A 62 -2.158 -2.878 -13.957 1.00 0.00 N ATOM 925 CA SER A 62 -0.843 -2.936 -14.654 1.00 0.00 C ATOM 926 C SER A 62 0.266 -2.501 -13.688 1.00 0.00 C ATOM 927 O SER A 62 0.031 -1.741 -12.770 1.00 0.00 O ATOM 928 CB SER A 62 -0.863 -1.999 -15.862 1.00 0.00 C ATOM 929 OG SER A 62 -0.493 -2.726 -17.026 1.00 0.00 O ATOM 0 H SER A 62 -2.703 -2.032 -14.126 1.00 0.00 H new ATOM 0 HA SER A 62 -0.655 -3.956 -14.989 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.857 -1.570 -15.988 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.175 -1.168 -15.704 1.00 0.00 H new ATOM 0 HG SER A 62 -0.506 -2.129 -17.803 1.00 0.00 H new ATOM 935 N PRO A 63 1.467 -2.981 -13.893 1.00 0.00 N ATOM 936 CA PRO A 63 2.632 -2.635 -13.025 1.00 0.00 C ATOM 937 C PRO A 63 2.959 -1.140 -13.063 1.00 0.00 C ATOM 938 O PRO A 63 3.574 -0.605 -12.161 1.00 0.00 O ATOM 939 CB PRO A 63 3.792 -3.452 -13.605 1.00 0.00 C ATOM 940 CG PRO A 63 3.372 -3.835 -14.985 1.00 0.00 C ATOM 941 CD PRO A 63 1.847 -3.899 -14.975 1.00 0.00 C ATOM 0 HA PRO A 63 2.430 -2.860 -11.978 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.711 -2.866 -13.625 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.990 -4.335 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.724 -3.105 -15.714 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.798 -4.798 -15.267 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.427 -3.587 -15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.490 -4.911 -14.785 1.00 0.00 H new ATOM 949 N GLU A 64 2.554 -0.463 -14.100 1.00 0.00 N ATOM 950 CA GLU A 64 2.841 0.994 -14.199 1.00 0.00 C ATOM 951 C GLU A 64 2.181 1.729 -13.029 1.00 0.00 C ATOM 952 O GLU A 64 2.660 2.746 -12.569 1.00 0.00 O ATOM 953 CB GLU A 64 2.280 1.531 -15.515 1.00 0.00 C ATOM 954 CG GLU A 64 3.012 0.883 -16.685 1.00 0.00 C ATOM 955 CD GLU A 64 2.501 1.473 -18.000 1.00 0.00 C ATOM 956 OE1 GLU A 64 1.521 2.199 -17.959 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.097 1.188 -19.026 1.00 0.00 O ATOM 0 H GLU A 64 2.035 -0.857 -14.885 1.00 0.00 H new ATOM 0 HA GLU A 64 3.919 1.154 -14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.212 1.321 -15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.395 2.614 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.085 1.050 -16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.855 -0.196 -16.673 1.00 0.00 H new ATOM 964 N HIS A 65 1.075 1.225 -12.559 1.00 0.00 N ATOM 965 CA HIS A 65 0.356 1.888 -11.432 1.00 0.00 C ATOM 966 C HIS A 65 1.137 1.755 -10.117 1.00 0.00 C ATOM 967 O HIS A 65 0.979 2.554 -9.216 1.00 0.00 O ATOM 968 CB HIS A 65 -1.016 1.232 -11.270 1.00 0.00 C ATOM 969 CG HIS A 65 -1.784 1.925 -10.180 1.00 0.00 C ATOM 970 ND1 HIS A 65 -2.279 3.214 -10.327 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.155 1.521 -8.921 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.916 3.535 -9.185 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.868 2.539 -8.300 1.00 0.00 N ATOM 0 H HIS A 65 0.633 0.375 -12.909 1.00 0.00 H new ATOM 0 HA HIS A 65 0.253 2.949 -11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.569 1.286 -12.208 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.898 0.175 -11.030 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.178 3.809 -11.150 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.928 0.561 -8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.405 4.482 -9.008 1.00 0.00 H new ATOM 982 N PHE A 66 1.947 0.741 -9.978 1.00 0.00 N ATOM 983 CA PHE A 66 2.692 0.559 -8.694 1.00 0.00 C ATOM 984 C PHE A 66 4.117 1.116 -8.795 1.00 0.00 C ATOM 985 O PHE A 66 4.908 0.972 -7.884 1.00 0.00 O ATOM 986 CB PHE A 66 2.753 -0.932 -8.368 1.00 0.00 C ATOM 987 CG PHE A 66 1.350 -1.479 -8.294 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.713 -1.918 -9.459 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.683 -1.542 -7.065 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.590 -2.420 -9.398 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.623 -2.044 -7.003 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.259 -2.484 -8.170 1.00 0.00 C ATOM 0 H PHE A 66 2.126 0.034 -10.691 1.00 0.00 H new ATOM 0 HA PHE A 66 2.170 1.103 -7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.323 -1.461 -9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.268 -1.089 -7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.228 -1.869 -10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.175 -1.204 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.081 -2.759 -10.298 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.139 -2.092 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.266 -2.873 -8.123 1.00 0.00 H new ATOM 1002 N ARG A 67 4.457 1.744 -9.883 1.00 0.00 N ATOM 1003 CA ARG A 67 5.837 2.298 -10.017 1.00 0.00 C ATOM 1004 C ARG A 67 6.105 3.326 -8.914 1.00 0.00 C ATOM 1005 O ARG A 67 7.236 3.564 -8.543 1.00 0.00 O ATOM 1006 CB ARG A 67 5.993 2.970 -11.382 1.00 0.00 C ATOM 1007 CG ARG A 67 5.851 1.928 -12.491 1.00 0.00 C ATOM 1008 CD ARG A 67 7.148 1.125 -12.632 1.00 0.00 C ATOM 1009 NE ARG A 67 7.103 0.334 -13.894 1.00 0.00 N ATOM 1010 CZ ARG A 67 8.088 -0.465 -14.199 1.00 0.00 C ATOM 1011 NH1 ARG A 67 9.114 -0.572 -13.400 1.00 0.00 N ATOM 1012 NH2 ARG A 67 8.048 -1.158 -15.304 1.00 0.00 N ATOM 0 H ARG A 67 3.845 1.899 -10.684 1.00 0.00 H new ATOM 0 HA ARG A 67 6.552 1.481 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.239 3.748 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.966 3.456 -11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.022 1.257 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.615 2.420 -13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.006 1.797 -12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.273 0.460 -11.777 1.00 0.00 H new ATOM 0 HE ARG A 67 6.302 0.417 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.146 -0.031 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.884 -1.197 -13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.246 -1.075 -15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.818 -1.783 -15.542 1.00 0.00 H new ATOM 1026 N SER A 68 5.082 3.950 -8.397 1.00 0.00 N ATOM 1027 CA SER A 68 5.303 4.972 -7.330 1.00 0.00 C ATOM 1028 C SER A 68 4.213 4.872 -6.259 1.00 0.00 C ATOM 1029 O SER A 68 3.108 4.437 -6.517 1.00 0.00 O ATOM 1030 CB SER A 68 5.271 6.368 -7.953 1.00 0.00 C ATOM 1031 OG SER A 68 3.954 6.649 -8.409 1.00 0.00 O ATOM 0 H SER A 68 4.109 3.799 -8.663 1.00 0.00 H new ATOM 0 HA SER A 68 6.272 4.792 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.581 7.113 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.975 6.425 -8.783 1.00 0.00 H new ATOM 0 HG SER A 68 3.930 7.544 -8.808 1.00 0.00 H new ATOM 1037 N ILE A 69 4.521 5.280 -5.055 1.00 0.00 N ATOM 1038 CA ILE A 69 3.523 5.223 -3.956 1.00 0.00 C ATOM 1039 C ILE A 69 2.372 6.193 -4.240 1.00 0.00 C ATOM 1040 O ILE A 69 1.228 5.922 -3.931 1.00 0.00 O ATOM 1041 CB ILE A 69 4.208 5.628 -2.653 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.365 4.681 -2.366 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.211 5.545 -1.512 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.178 5.207 -1.181 1.00 0.00 C ATOM 0 H ILE A 69 5.432 5.653 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 69 3.125 4.211 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 69 4.582 6.647 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.985 3.683 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.002 4.592 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.699 5.834 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.376 6.218 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.841 4.523 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.006 4.528 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.570 6.196 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.538 5.273 -0.301 1.00 0.00 H new ATOM 1056 N ARG A 70 2.669 7.330 -4.806 1.00 0.00 N ATOM 1057 CA ARG A 70 1.598 8.329 -5.088 1.00 0.00 C ATOM 1058 C ARG A 70 0.555 7.738 -6.038 1.00 0.00 C ATOM 1059 O ARG A 70 -0.629 7.964 -5.887 1.00 0.00 O ATOM 1060 CB ARG A 70 2.220 9.571 -5.729 1.00 0.00 C ATOM 1061 CG ARG A 70 1.146 10.646 -5.907 1.00 0.00 C ATOM 1062 CD ARG A 70 1.777 11.905 -6.505 1.00 0.00 C ATOM 1063 NE ARG A 70 2.176 11.638 -7.916 1.00 0.00 N ATOM 1064 CZ ARG A 70 2.633 12.609 -8.659 1.00 0.00 C ATOM 1065 NH1 ARG A 70 2.741 13.813 -8.167 1.00 0.00 N ATOM 1066 NH2 ARG A 70 2.981 12.376 -9.895 1.00 0.00 N ATOM 0 H ARG A 70 3.608 7.612 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 70 1.110 8.598 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.028 9.950 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.657 9.315 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.354 10.279 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.686 10.878 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.069 12.733 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.647 12.202 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 70 2.092 10.697 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.468 13.996 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.098 14.571 -8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.896 11.435 -10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.338 13.135 -10.476 1.00 0.00 H new ATOM 1080 N SER A 71 0.976 6.991 -7.020 1.00 0.00 N ATOM 1081 CA SER A 71 -0.005 6.404 -7.972 1.00 0.00 C ATOM 1082 C SER A 71 -0.996 5.518 -7.213 1.00 0.00 C ATOM 1083 O SER A 71 -2.188 5.575 -7.435 1.00 0.00 O ATOM 1084 CB SER A 71 0.743 5.566 -9.005 1.00 0.00 C ATOM 1085 OG SER A 71 1.738 6.367 -9.629 1.00 0.00 O ATOM 0 H SER A 71 1.953 6.763 -7.204 1.00 0.00 H new ATOM 0 HA SER A 71 -0.552 7.203 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.203 4.702 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.048 5.183 -9.752 1.00 0.00 H new ATOM 0 HG SER A 71 2.606 6.197 -9.208 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.515 4.703 -6.316 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.424 3.819 -5.544 1.00 0.00 C ATOM 1093 C ILE A 72 -2.359 4.668 -4.682 1.00 0.00 C ATOM 1094 O ILE A 72 -3.524 4.363 -4.524 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.585 2.910 -4.648 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.356 2.069 -5.514 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.508 1.990 -3.858 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.277 1.242 -4.614 1.00 0.00 C ATOM 0 H ILE A 72 0.474 4.613 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.021 3.216 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 72 0.002 3.517 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.221 1.411 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.948 2.717 -6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.912 1.340 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.179 2.589 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.093 1.382 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.947 0.643 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.864 1.909 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.677 0.584 -3.986 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.853 5.729 -4.118 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.703 6.598 -3.259 1.00 0.00 C ATOM 1112 C ASP A 73 -3.912 7.095 -4.055 1.00 0.00 C ATOM 1113 O ASP A 73 -5.006 7.202 -3.537 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.880 7.798 -2.786 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.644 8.545 -1.691 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.672 8.045 -1.267 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.188 9.605 -1.296 1.00 0.00 O ATOM 0 H ASP A 73 -0.884 6.032 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.051 6.025 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.915 7.463 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.678 8.466 -3.623 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.724 7.410 -5.307 1.00 0.00 N ATOM 1123 CA ALA A 74 -4.864 7.913 -6.126 1.00 0.00 C ATOM 1124 C ALA A 74 -5.910 6.813 -6.310 1.00 0.00 C ATOM 1125 O ALA A 74 -7.096 7.051 -6.199 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.349 8.362 -7.495 1.00 0.00 C ATOM 0 H ALA A 74 -2.833 7.341 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.325 8.756 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.182 8.730 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.616 9.158 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.882 7.518 -8.003 1.00 0.00 H new ATOM 1132 N PHE A 75 -5.490 5.612 -6.594 1.00 0.00 N ATOM 1133 CA PHE A 75 -6.481 4.514 -6.784 1.00 0.00 C ATOM 1134 C PHE A 75 -7.259 4.299 -5.488 1.00 0.00 C ATOM 1135 O PHE A 75 -8.474 4.251 -5.480 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.759 3.223 -7.158 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.773 2.139 -7.433 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -7.349 2.025 -8.704 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.137 1.247 -6.417 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -8.290 1.020 -8.959 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.077 0.241 -6.672 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.654 0.128 -7.943 1.00 0.00 C ATOM 0 H PHE A 75 -4.512 5.343 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.168 4.788 -7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.136 3.384 -8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.095 2.918 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.067 2.712 -9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.693 1.335 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.735 0.933 -9.939 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.357 -0.448 -5.889 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.380 -0.647 -8.140 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.569 4.169 -4.390 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.267 3.958 -3.099 1.00 0.00 C ATOM 1154 C VAL A 76 -8.075 5.206 -2.738 1.00 0.00 C ATOM 1155 O VAL A 76 -9.214 5.120 -2.331 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.231 3.683 -2.010 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.918 3.685 -0.649 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.588 2.316 -2.252 1.00 0.00 C ATOM 0 H VAL A 76 -5.551 4.200 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.945 3.108 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.463 4.456 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.182 3.489 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.380 4.657 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.684 2.910 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.849 2.119 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.356 1.543 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.100 2.311 -3.227 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.498 6.368 -2.889 1.00 0.00 N ATOM 1169 CA VAL A 77 -8.237 7.612 -2.553 1.00 0.00 C ATOM 1170 C VAL A 77 -9.452 7.754 -3.468 1.00 0.00 C ATOM 1171 O VAL A 77 -10.513 8.173 -3.049 1.00 0.00 O ATOM 1172 CB VAL A 77 -7.308 8.808 -2.743 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -8.123 10.094 -2.677 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -6.257 8.814 -1.632 1.00 0.00 C ATOM 0 H VAL A 77 -6.547 6.506 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.576 7.569 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.814 8.738 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.463 10.951 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.876 10.088 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.614 10.164 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.592 9.667 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.752 8.887 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.677 7.892 -1.675 1.00 0.00 H new ATOM 1184 N GLY A 78 -9.305 7.414 -4.716 1.00 0.00 N ATOM 1185 CA GLY A 78 -10.449 7.534 -5.660 1.00 0.00 C ATOM 1186 C GLY A 78 -11.634 6.709 -5.153 1.00 0.00 C ATOM 1187 O GLY A 78 -12.777 7.064 -5.363 1.00 0.00 O ATOM 0 H GLY A 78 -8.441 7.058 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.740 8.580 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.152 7.189 -6.650 1.00 0.00 H new ATOM 1191 N ALA A 79 -11.376 5.607 -4.497 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.501 4.766 -3.995 1.00 0.00 C ATOM 1193 C ALA A 79 -12.667 4.941 -2.484 1.00 0.00 C ATOM 1194 O ALA A 79 -13.750 5.193 -1.995 1.00 0.00 O ATOM 1195 CB ALA A 79 -12.209 3.296 -4.303 1.00 0.00 C ATOM 0 H ALA A 79 -10.441 5.256 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.421 5.077 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.029 2.678 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.107 3.163 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.283 2.998 -3.811 1.00 0.00 H new ATOM 1201 N THR A 80 -11.606 4.806 -1.740 1.00 0.00 N ATOM 1202 CA THR A 80 -11.711 4.961 -0.261 1.00 0.00 C ATOM 1203 C THR A 80 -10.357 5.383 0.314 1.00 0.00 C ATOM 1204 O THR A 80 -9.326 4.868 -0.066 1.00 0.00 O ATOM 1205 CB THR A 80 -12.135 3.630 0.359 1.00 0.00 C ATOM 1206 OG1 THR A 80 -13.317 3.167 -0.279 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.400 3.818 1.854 1.00 0.00 C ATOM 0 H THR A 80 -10.671 4.595 -2.090 1.00 0.00 H new ATOM 0 HA THR A 80 -12.453 5.726 -0.030 1.00 0.00 H new ATOM 0 HB THR A 80 -11.338 2.899 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.779 3.922 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.702 2.867 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.492 4.171 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.195 4.550 1.993 1.00 0.00 H new ATOM 1215 N THR A 81 -10.356 6.308 1.235 1.00 0.00 N ATOM 1216 CA THR A 81 -9.075 6.760 1.844 1.00 0.00 C ATOM 1217 C THR A 81 -9.110 6.473 3.350 1.00 0.00 C ATOM 1218 O THR A 81 -9.517 7.305 4.137 1.00 0.00 O ATOM 1219 CB THR A 81 -8.914 8.263 1.609 1.00 0.00 C ATOM 1220 OG1 THR A 81 -7.878 8.764 2.443 1.00 0.00 O ATOM 1221 CG2 THR A 81 -10.227 8.975 1.936 1.00 0.00 C ATOM 0 H THR A 81 -11.191 6.771 1.593 1.00 0.00 H new ATOM 0 HA THR A 81 -8.237 6.230 1.392 1.00 0.00 H new ATOM 0 HB THR A 81 -8.657 8.443 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.220 8.884 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.112 10.046 1.768 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.019 8.590 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.487 8.797 2.979 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.696 5.295 3.744 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.685 4.870 5.168 1.00 0.00 C ATOM 1231 C PRO A 82 -7.354 5.171 5.880 1.00 0.00 C ATOM 1232 O PRO A 82 -6.342 4.576 5.568 1.00 0.00 O ATOM 1233 CB PRO A 82 -8.868 3.361 5.053 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.183 2.982 3.777 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.197 4.221 2.872 1.00 0.00 C ATOM 0 HA PRO A 82 -9.442 5.392 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.427 2.844 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.924 3.093 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.160 2.658 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.696 2.149 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.201 4.447 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.845 4.076 2.007 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.347 6.067 6.841 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.112 6.402 7.598 1.00 0.00 C ATOM 1245 C PRO A 83 -5.823 5.365 8.688 1.00 0.00 C ATOM 1246 O PRO A 83 -6.692 5.015 9.463 1.00 0.00 O ATOM 1247 CB PRO A 83 -6.426 7.761 8.219 1.00 0.00 C ATOM 1248 CG PRO A 83 -7.913 7.797 8.369 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.500 6.855 7.311 1.00 0.00 C ATOM 0 HA PRO A 83 -5.227 6.415 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.931 7.876 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.076 8.574 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.206 7.481 9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.289 8.811 8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.273 6.214 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.960 7.412 6.495 1.00 0.00 H new ATOM 1257 N VAL A 84 -4.616 4.869 8.753 1.00 0.00 N ATOM 1258 CA VAL A 84 -4.282 3.851 9.793 1.00 0.00 C ATOM 1259 C VAL A 84 -3.019 4.276 10.546 1.00 0.00 C ATOM 1260 O VAL A 84 -2.031 4.665 9.954 1.00 0.00 O ATOM 1261 CB VAL A 84 -4.045 2.498 9.120 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -3.871 1.421 10.191 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -5.247 2.151 8.239 1.00 0.00 C ATOM 0 H VAL A 84 -3.848 5.124 8.132 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.109 3.769 10.498 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.146 2.549 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.702 0.456 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.016 1.669 10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.770 1.369 10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.080 1.187 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.146 2.099 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.373 2.919 7.476 1.00 0.00 H new ATOM 1273 N GLU A 85 -3.043 4.202 11.849 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.846 4.599 12.644 1.00 0.00 C ATOM 1275 C GLU A 85 -0.680 3.655 12.335 1.00 0.00 C ATOM 1276 O GLU A 85 0.464 4.062 12.292 1.00 0.00 O ATOM 1277 CB GLU A 85 -2.179 4.524 14.135 1.00 0.00 C ATOM 1278 CG GLU A 85 -1.001 5.062 14.950 1.00 0.00 C ATOM 1279 CD GLU A 85 -1.292 4.892 16.442 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -2.342 4.362 16.764 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -0.459 5.296 17.237 1.00 0.00 O ATOM 0 H GLU A 85 -3.841 3.883 12.398 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.562 5.618 12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.077 5.104 14.347 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.391 3.493 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.088 4.530 14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.835 6.114 14.719 1.00 0.00 H new ATOM 1288 N ALA A 86 -0.957 2.396 12.125 1.00 0.00 N ATOM 1289 CA ALA A 86 0.141 1.431 11.827 1.00 0.00 C ATOM 1290 C ALA A 86 -0.371 0.341 10.882 1.00 0.00 C ATOM 1291 O ALA A 86 -1.555 0.089 10.794 1.00 0.00 O ATOM 1292 CB ALA A 86 0.623 0.790 13.129 1.00 0.00 C ATOM 0 H ALA A 86 -1.894 1.994 12.147 1.00 0.00 H new ATOM 0 HA ALA A 86 0.967 1.961 11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.425 0.085 12.912 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.993 1.565 13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.205 0.263 13.603 1.00 0.00 H new ATOM 1298 N LYS A 87 0.513 -0.307 10.174 1.00 0.00 N ATOM 1299 CA LYS A 87 0.076 -1.380 9.235 1.00 0.00 C ATOM 1300 C LYS A 87 -0.711 -2.441 10.006 1.00 0.00 C ATOM 1301 O LYS A 87 -1.681 -2.986 9.518 1.00 0.00 O ATOM 1302 CB LYS A 87 1.306 -2.028 8.594 1.00 0.00 C ATOM 1303 CG LYS A 87 0.862 -2.962 7.465 1.00 0.00 C ATOM 1304 CD LYS A 87 2.081 -3.693 6.898 1.00 0.00 C ATOM 1305 CE LYS A 87 1.731 -4.287 5.531 1.00 0.00 C ATOM 1306 NZ LYS A 87 0.270 -4.575 5.473 1.00 0.00 N ATOM 0 H LYS A 87 1.519 -0.140 10.205 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.556 -0.948 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.973 -1.259 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.868 -2.587 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.134 -3.682 7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.369 -2.390 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.920 -3.003 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.394 -4.483 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.007 -3.591 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.300 -5.202 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.084 -5.279 4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.047 -4.948 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.248 -3.699 5.257 1.00 0.00 H new ATOM 1320 N LEU A 88 -0.300 -2.740 11.209 1.00 0.00 N ATOM 1321 CA LEU A 88 -1.023 -3.766 12.011 1.00 0.00 C ATOM 1322 C LEU A 88 -1.933 -3.072 13.027 1.00 0.00 C ATOM 1323 O LEU A 88 -1.518 -2.176 13.735 1.00 0.00 O ATOM 1324 CB LEU A 88 -0.010 -4.644 12.749 1.00 0.00 C ATOM 1325 CG LEU A 88 -0.743 -5.777 13.472 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -1.331 -6.753 12.449 1.00 0.00 C ATOM 1327 CD2 LEU A 88 0.241 -6.522 14.376 1.00 0.00 C ATOM 0 H LEU A 88 0.506 -2.317 11.670 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.626 -4.386 11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.711 -5.056 12.043 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.552 -4.045 13.466 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.550 -5.357 14.073 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.851 -7.557 12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.033 -6.225 11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.528 -7.173 11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.279 -7.329 14.892 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.047 -6.937 13.772 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.656 -5.831 15.109 1.00 0.00 H new ATOM 1339 N GLN A 89 -3.170 -3.479 13.104 1.00 0.00 N ATOM 1340 CA GLN A 89 -4.106 -2.843 14.075 1.00 0.00 C ATOM 1341 C GLN A 89 -3.392 -2.636 15.412 1.00 0.00 C ATOM 1342 O GLN A 89 -2.639 -3.514 15.801 1.00 0.00 O ATOM 1343 CB GLN A 89 -5.321 -3.750 14.281 1.00 0.00 C ATOM 1344 CG GLN A 89 -6.095 -3.875 12.967 1.00 0.00 C ATOM 1345 CD GLN A 89 -7.280 -4.822 13.161 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -7.328 -5.566 14.119 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -8.247 -4.825 12.284 1.00 0.00 N ATOM 1348 OXT GLN A 89 -3.610 -1.604 16.024 1.00 0.00 O ATOM 0 H GLN A 89 -3.574 -4.224 12.537 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.434 -1.879 13.685 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.999 -4.735 14.621 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.966 -3.340 15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.448 -2.895 12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.440 -4.251 12.181 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.207 -4.200 11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.042 -5.452 12.404 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.829 -6.249 -8.711 1.00 0.00 O HETATM 1359 O4 PN7 A 101 1.989 -5.188 -12.078 1.00 0.00 O HETATM 1360 C2 PN7 A 101 0.309 -6.890 -10.459 1.00 0.00 C HETATM 1361 C1 PN7 A 101 -0.109 -8.108 -9.631 1.00 0.00 C HETATM 1362 P PN7 A 101 0.370 -10.435 -8.962 1.00 0.00 P HETATM 1363 O1P PN7 A 101 -0.747 -10.011 -8.089 1.00 0.00 O HETATM 1364 O2P PN7 A 101 0.226 -11.642 -9.806 1.00 0.00 O HETATM 1365 O3P PN7 A 101 0.774 -9.200 -9.917 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 -0.616 -5.712 -10.149 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 0.222 -7.226 -11.950 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.747 -6.516 -10.104 1.00 0.00 C HETATM 1369 C4 PN7 A 101 2.166 -5.269 -10.879 1.00 0.00 C HETATM 1370 N5 PN7 A 101 2.904 -4.398 -10.246 1.00 0.00 N HETATM 1371 C6 PN7 A 101 4.385 -4.415 -10.414 1.00 0.00 C HETATM 1372 C7 PN7 A 101 5.052 -4.557 -9.044 1.00 0.00 C HETATM 1373 C8 PN7 A 101 4.743 -3.324 -8.193 1.00 0.00 C HETATM 1374 O8 PN7 A 101 5.415 -2.315 -8.278 1.00 0.00 O HETATM 1375 N9 PN7 A 101 3.690 -3.373 -7.424 1.00 0.00 N HETATM 1376 C10 PN7 A 101 3.839 -3.691 -5.976 1.00 0.00 C HETATM 1377 C11 PN7 A 101 4.387 -2.469 -5.236 1.00 0.00 C HETATM 1378 S12 PN7 A 101 3.037 -1.633 -4.366 1.00 0.00 S