USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -0.411 K(o=-2,f=-8.9!) USER MOD Set 1.2: A 81 THR OG1 : rot 8:sc= -1.64! USER MOD Single : A 1 MET CE :methyl -152:sc= -0.319 (180deg=-1.8!) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0631) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.57! C(o=-4.6!,f=-4.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.26) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.106 USER MOD Single : A 65 HIS : no HD1:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 68 SER OG : rot -67:sc= 0.292 USER MOD Single : A 71 SER OG : rot 180:sc= -0.111 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.464 10.814 6.378 1.00 0.00 N ATOM 2 CA MET A 1 -2.963 9.414 6.470 1.00 0.00 C ATOM 3 C MET A 1 -3.592 8.713 7.672 1.00 0.00 C ATOM 4 O MET A 1 -3.265 8.989 8.809 1.00 0.00 O ATOM 5 CB MET A 1 -1.442 9.423 6.624 1.00 0.00 C ATOM 6 CG MET A 1 -0.800 9.773 5.283 1.00 0.00 C ATOM 7 SD MET A 1 1.002 9.685 5.433 1.00 0.00 S ATOM 8 CE MET A 1 1.185 10.939 6.724 1.00 0.00 C ATOM 0 H1 MET A 1 -3.169 11.230 5.472 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.502 10.816 6.438 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.071 11.375 7.160 1.00 0.00 H new ATOM 0 HA MET A 1 -3.235 8.878 5.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.146 10.148 7.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.094 8.447 6.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.145 9.084 4.512 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.101 10.774 4.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.165 11.408 6.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.409 11.696 6.609 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.091 10.470 7.703 1.00 0.00 H new ATOM 20 N GLN A 2 -4.486 7.797 7.423 1.00 0.00 N ATOM 21 CA GLN A 2 -5.136 7.060 8.542 1.00 0.00 C ATOM 22 C GLN A 2 -4.596 5.630 8.570 1.00 0.00 C ATOM 23 O GLN A 2 -4.400 5.015 7.541 1.00 0.00 O ATOM 24 CB GLN A 2 -6.650 7.031 8.323 1.00 0.00 C ATOM 25 CG GLN A 2 -7.195 8.460 8.342 1.00 0.00 C ATOM 26 CD GLN A 2 -8.703 8.434 8.090 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.238 7.442 7.637 1.00 0.00 O ATOM 28 NE2 GLN A 2 -9.417 9.491 8.367 1.00 0.00 N ATOM 0 H GLN A 2 -4.795 7.526 6.489 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.920 7.556 9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.881 6.555 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.130 6.437 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.984 8.928 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.698 9.060 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.968 10.324 8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.424 9.484 8.203 1.00 0.00 H new ATOM 37 N HIS A 3 -4.346 5.096 9.734 1.00 0.00 N ATOM 38 CA HIS A 3 -3.809 3.709 9.809 1.00 0.00 C ATOM 39 C HIS A 3 -2.711 3.543 8.757 1.00 0.00 C ATOM 40 O HIS A 3 -2.505 2.472 8.221 1.00 0.00 O ATOM 41 CB HIS A 3 -4.935 2.708 9.537 1.00 0.00 C ATOM 42 CG HIS A 3 -5.644 2.388 10.824 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.171 1.130 11.086 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.921 3.149 11.933 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.732 1.172 12.308 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.607 2.378 12.865 1.00 0.00 N ATOM 0 H HIS A 3 -4.490 5.558 10.632 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.399 3.526 10.802 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.639 3.123 8.815 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.528 1.797 9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.648 4.186 12.061 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.223 0.333 12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.944 2.672 13.782 1.00 0.00 H new ATOM 55 N ALA A 4 -2.009 4.601 8.453 1.00 0.00 N ATOM 56 CA ALA A 4 -0.928 4.514 7.431 1.00 0.00 C ATOM 57 C ALA A 4 0.124 3.499 7.880 1.00 0.00 C ATOM 58 O ALA A 4 0.671 2.764 7.082 1.00 0.00 O ATOM 59 CB ALA A 4 -0.271 5.885 7.270 1.00 0.00 C ATOM 0 H ALA A 4 -2.138 5.523 8.869 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.355 4.197 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.520 5.824 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.018 6.611 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.154 6.199 8.223 1.00 0.00 H new ATOM 65 N SER A 5 0.416 3.454 9.151 1.00 0.00 N ATOM 66 CA SER A 5 1.436 2.487 9.643 1.00 0.00 C ATOM 67 C SER A 5 0.989 1.060 9.324 1.00 0.00 C ATOM 68 O SER A 5 1.783 0.220 8.950 1.00 0.00 O ATOM 69 CB SER A 5 1.601 2.644 11.155 1.00 0.00 C ATOM 70 OG SER A 5 1.892 4.002 11.457 1.00 0.00 O ATOM 0 H SER A 5 -0.007 4.044 9.868 1.00 0.00 H new ATOM 0 HA SER A 5 2.388 2.685 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.690 2.333 11.666 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.404 2.000 11.514 1.00 0.00 H new ATOM 0 HG SER A 5 1.997 4.106 12.426 1.00 0.00 H new ATOM 76 N VAL A 6 -0.276 0.780 9.461 1.00 0.00 N ATOM 77 CA VAL A 6 -0.769 -0.591 9.157 1.00 0.00 C ATOM 78 C VAL A 6 -0.590 -0.867 7.667 1.00 0.00 C ATOM 79 O VAL A 6 -0.217 -1.949 7.262 1.00 0.00 O ATOM 80 CB VAL A 6 -2.248 -0.700 9.522 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.801 -2.038 9.023 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.404 -0.620 11.042 1.00 0.00 C ATOM 0 H VAL A 6 -0.989 1.440 9.770 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.203 -1.319 9.738 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.798 0.117 9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.857 -2.115 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.689 -2.097 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.251 -2.856 9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.459 -0.698 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.853 -1.437 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.011 0.332 11.399 1.00 0.00 H new ATOM 92 N ILE A 7 -0.858 0.109 6.848 1.00 0.00 N ATOM 93 CA ILE A 7 -0.711 -0.082 5.381 1.00 0.00 C ATOM 94 C ILE A 7 0.734 -0.455 5.050 1.00 0.00 C ATOM 95 O ILE A 7 0.993 -1.377 4.302 1.00 0.00 O ATOM 96 CB ILE A 7 -1.077 1.220 4.670 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.523 1.590 5.009 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.937 1.037 3.158 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.854 2.966 4.427 1.00 0.00 C ATOM 0 H ILE A 7 -1.174 1.036 7.134 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.371 -0.883 5.049 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.408 2.015 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.204 0.841 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.662 1.599 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.199 1.967 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.092 0.771 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.605 0.243 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.884 3.226 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.182 3.712 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.732 2.942 3.344 1.00 0.00 H new ATOM 111 N ALA A 8 1.679 0.257 5.598 1.00 0.00 N ATOM 112 CA ALA A 8 3.107 -0.056 5.313 1.00 0.00 C ATOM 113 C ALA A 8 3.447 -1.449 5.840 1.00 0.00 C ATOM 114 O ALA A 8 4.022 -2.264 5.147 1.00 0.00 O ATOM 115 CB ALA A 8 4.002 0.979 5.998 1.00 0.00 C ATOM 0 H ALA A 8 1.524 1.042 6.231 1.00 0.00 H new ATOM 0 HA ALA A 8 3.273 -0.028 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.047 0.751 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.765 1.973 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.832 0.952 7.074 1.00 0.00 H new ATOM 121 N GLN A 9 3.099 -1.730 7.063 1.00 0.00 N ATOM 122 CA GLN A 9 3.406 -3.070 7.632 1.00 0.00 C ATOM 123 C GLN A 9 2.545 -4.137 6.949 1.00 0.00 C ATOM 124 O GLN A 9 2.966 -5.260 6.767 1.00 0.00 O ATOM 125 CB GLN A 9 3.161 -3.054 9.150 1.00 0.00 C ATOM 126 CG GLN A 9 1.749 -3.545 9.475 1.00 0.00 C ATOM 127 CD GLN A 9 1.707 -5.075 9.428 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.612 -5.734 9.901 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.687 -5.671 8.874 1.00 0.00 N ATOM 0 H GLN A 9 2.615 -1.090 7.693 1.00 0.00 H new ATOM 0 HA GLN A 9 4.454 -3.312 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.895 -3.687 9.649 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.298 -2.043 9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.451 -3.194 10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.037 -3.131 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.073 -5.118 8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.649 -6.690 8.838 1.00 0.00 H new ATOM 138 N PHE A 10 1.341 -3.802 6.576 1.00 0.00 N ATOM 139 CA PHE A 10 0.457 -4.805 5.915 1.00 0.00 C ATOM 140 C PHE A 10 1.041 -5.217 4.562 1.00 0.00 C ATOM 141 O PHE A 10 1.182 -6.387 4.268 1.00 0.00 O ATOM 142 CB PHE A 10 -0.930 -4.194 5.706 1.00 0.00 C ATOM 143 CG PHE A 10 -1.856 -5.229 5.114 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.529 -6.126 5.951 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.043 -5.288 3.728 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.390 -7.083 5.402 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.903 -6.246 3.179 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.577 -7.143 4.016 1.00 0.00 C ATOM 0 H PHE A 10 0.930 -2.877 6.700 1.00 0.00 H new ATOM 0 HA PHE A 10 0.382 -5.688 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.328 -3.836 6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.862 -3.331 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.384 -6.080 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.524 -4.595 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.910 -7.775 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.047 -6.293 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.241 -7.882 3.592 1.00 0.00 H new ATOM 158 N VAL A 11 1.372 -4.268 3.734 1.00 0.00 N ATOM 159 CA VAL A 11 1.935 -4.607 2.400 1.00 0.00 C ATOM 160 C VAL A 11 3.376 -5.105 2.545 1.00 0.00 C ATOM 161 O VAL A 11 3.789 -6.036 1.882 1.00 0.00 O ATOM 162 CB VAL A 11 1.906 -3.362 1.515 1.00 0.00 C ATOM 163 CG1 VAL A 11 0.459 -2.904 1.325 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.708 -2.242 2.179 1.00 0.00 C ATOM 0 H VAL A 11 1.277 -3.270 3.924 1.00 0.00 H new ATOM 0 HA VAL A 11 1.337 -5.397 1.946 1.00 0.00 H new ATOM 0 HB VAL A 11 2.345 -3.598 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.438 -2.016 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.115 -3.700 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.021 -2.670 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.686 -1.355 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.270 -2.007 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.740 -2.565 2.315 1.00 0.00 H new ATOM 174 N VAL A 12 4.147 -4.491 3.400 1.00 0.00 N ATOM 175 CA VAL A 12 5.561 -4.928 3.577 1.00 0.00 C ATOM 176 C VAL A 12 5.599 -6.348 4.148 1.00 0.00 C ATOM 177 O VAL A 12 6.458 -7.136 3.808 1.00 0.00 O ATOM 178 CB VAL A 12 6.279 -3.966 4.527 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.731 -4.413 4.718 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.261 -2.556 3.933 1.00 0.00 C ATOM 0 H VAL A 12 3.859 -3.706 3.984 1.00 0.00 H new ATOM 0 HA VAL A 12 6.064 -4.921 2.610 1.00 0.00 H new ATOM 0 HB VAL A 12 5.769 -3.967 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.237 -3.725 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.750 -5.418 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.241 -4.415 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.772 -1.870 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.769 -2.561 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.229 -2.231 3.798 1.00 0.00 H new ATOM 190 N GLU A 13 4.684 -6.678 5.019 1.00 0.00 N ATOM 191 CA GLU A 13 4.685 -8.045 5.620 1.00 0.00 C ATOM 192 C GLU A 13 4.660 -9.100 4.515 1.00 0.00 C ATOM 193 O GLU A 13 5.263 -10.149 4.632 1.00 0.00 O ATOM 194 CB GLU A 13 3.455 -8.217 6.510 1.00 0.00 C ATOM 195 CG GLU A 13 3.511 -9.576 7.204 1.00 0.00 C ATOM 196 CD GLU A 13 2.232 -9.789 8.016 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.380 -8.916 7.982 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.126 -10.821 8.658 1.00 0.00 O ATOM 0 H GLU A 13 3.937 -6.062 5.341 1.00 0.00 H new ATOM 0 HA GLU A 13 5.589 -8.169 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.416 -7.420 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.547 -8.140 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.621 -10.369 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.382 -9.627 7.858 1.00 0.00 H new ATOM 205 N GLU A 14 3.971 -8.835 3.444 1.00 0.00 N ATOM 206 CA GLU A 14 3.913 -9.827 2.336 1.00 0.00 C ATOM 207 C GLU A 14 5.300 -9.976 1.702 1.00 0.00 C ATOM 208 O GLU A 14 5.660 -11.033 1.222 1.00 0.00 O ATOM 209 CB GLU A 14 2.912 -9.353 1.281 1.00 0.00 C ATOM 210 CG GLU A 14 1.497 -9.373 1.867 1.00 0.00 C ATOM 211 CD GLU A 14 1.109 -10.808 2.227 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.753 -11.718 1.731 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.173 -10.973 2.993 1.00 0.00 O ATOM 0 H GLU A 14 3.445 -7.975 3.287 1.00 0.00 H new ATOM 0 HA GLU A 14 3.595 -10.792 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.166 -8.345 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.962 -9.997 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.451 -8.740 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.789 -8.964 1.146 1.00 0.00 H new ATOM 220 N PHE A 15 6.081 -8.927 1.692 1.00 0.00 N ATOM 221 CA PHE A 15 7.442 -9.015 1.083 1.00 0.00 C ATOM 222 C PHE A 15 8.471 -8.342 1.998 1.00 0.00 C ATOM 223 O PHE A 15 9.339 -7.625 1.542 1.00 0.00 O ATOM 224 CB PHE A 15 7.441 -8.307 -0.275 1.00 0.00 C ATOM 225 CG PHE A 15 6.032 -8.231 -0.809 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.514 -9.280 -1.577 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.243 -7.107 -0.537 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.207 -9.205 -2.073 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.937 -7.032 -1.031 1.00 0.00 C ATOM 230 CZ PHE A 15 3.418 -8.081 -1.800 1.00 0.00 C ATOM 0 H PHE A 15 5.836 -8.015 2.078 1.00 0.00 H new ATOM 0 HA PHE A 15 7.705 -10.065 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.856 -7.304 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.077 -8.846 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.122 -10.147 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.643 -6.297 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.807 -10.014 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.329 -6.165 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.410 -8.023 -2.182 1.00 0.00 H new ATOM 240 N LEU A 16 8.387 -8.557 3.284 1.00 0.00 N ATOM 241 CA LEU A 16 9.368 -7.914 4.202 1.00 0.00 C ATOM 242 C LEU A 16 10.683 -8.707 4.204 1.00 0.00 C ATOM 243 O LEU A 16 10.682 -9.910 4.368 1.00 0.00 O ATOM 244 CB LEU A 16 8.786 -7.838 5.629 1.00 0.00 C ATOM 245 CG LEU A 16 9.234 -9.019 6.509 1.00 0.00 C ATOM 246 CD1 LEU A 16 8.638 -8.847 7.908 1.00 0.00 C ATOM 247 CD2 LEU A 16 8.735 -10.344 5.922 1.00 0.00 C ATOM 0 H LEU A 16 7.687 -9.146 3.735 1.00 0.00 H new ATOM 0 HA LEU A 16 9.570 -6.901 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.096 -6.903 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.698 -7.822 5.574 1.00 0.00 H new ATOM 0 HG LEU A 16 10.323 -9.035 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.949 -9.678 8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.990 -7.910 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.550 -8.829 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.061 -11.168 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.646 -10.333 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.143 -10.474 4.920 1.00 0.00 H new ATOM 259 N PRO A 17 11.806 -8.045 4.045 1.00 0.00 N ATOM 260 CA PRO A 17 13.129 -8.722 4.062 1.00 0.00 C ATOM 261 C PRO A 17 13.528 -9.077 5.498 1.00 0.00 C ATOM 262 O PRO A 17 12.683 -9.294 6.343 1.00 0.00 O ATOM 263 CB PRO A 17 14.073 -7.672 3.466 1.00 0.00 C ATOM 264 CG PRO A 17 13.454 -6.361 3.810 1.00 0.00 C ATOM 265 CD PRO A 17 11.947 -6.589 3.835 1.00 0.00 C ATOM 0 HA PRO A 17 13.143 -9.660 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 17 15.075 -7.758 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.168 -7.793 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.809 -6.006 4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.720 -5.601 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.471 -6.023 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.481 -6.274 2.902 1.00 0.00 H new ATOM 273 N ASP A 18 14.793 -9.123 5.794 1.00 0.00 N ATOM 274 CA ASP A 18 15.211 -9.446 7.181 1.00 0.00 C ATOM 275 C ASP A 18 15.027 -8.199 8.050 1.00 0.00 C ATOM 276 O ASP A 18 15.496 -8.133 9.170 1.00 0.00 O ATOM 277 CB ASP A 18 16.681 -9.868 7.179 1.00 0.00 C ATOM 278 CG ASP A 18 17.556 -8.702 6.712 1.00 0.00 C ATOM 279 OD1 ASP A 18 17.047 -7.596 6.630 1.00 0.00 O ATOM 280 OD2 ASP A 18 18.722 -8.936 6.439 1.00 0.00 O ATOM 0 H ASP A 18 15.554 -8.951 5.137 1.00 0.00 H new ATOM 0 HA ASP A 18 14.607 -10.262 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.980 -10.181 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.821 -10.726 6.521 1.00 0.00 H new ATOM 285 N VAL A 19 14.350 -7.207 7.530 1.00 0.00 N ATOM 286 CA VAL A 19 14.132 -5.952 8.306 1.00 0.00 C ATOM 287 C VAL A 19 12.645 -5.792 8.628 1.00 0.00 C ATOM 288 O VAL A 19 11.794 -5.997 7.785 1.00 0.00 O ATOM 289 CB VAL A 19 14.587 -4.758 7.468 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.506 -3.482 8.308 1.00 0.00 C ATOM 291 CG2 VAL A 19 16.030 -4.977 7.009 1.00 0.00 C ATOM 0 H VAL A 19 13.938 -7.214 6.597 1.00 0.00 H new ATOM 0 HA VAL A 19 14.703 -6.000 9.233 1.00 0.00 H new ATOM 0 HB VAL A 19 13.940 -4.659 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.831 -2.631 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.478 -3.325 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.152 -3.579 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.355 -4.125 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.678 -5.077 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.087 -5.885 6.408 1.00 0.00 H new ATOM 301 N ALA A 20 12.324 -5.414 9.835 1.00 0.00 N ATOM 302 CA ALA A 20 10.892 -5.227 10.195 1.00 0.00 C ATOM 303 C ALA A 20 10.366 -3.965 9.491 1.00 0.00 C ATOM 304 O ALA A 20 11.059 -2.970 9.424 1.00 0.00 O ATOM 305 CB ALA A 20 10.769 -5.050 11.710 1.00 0.00 C ATOM 0 H ALA A 20 12.990 -5.227 10.585 1.00 0.00 H new ATOM 0 HA ALA A 20 10.313 -6.096 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.721 -4.913 11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.158 -5.935 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.340 -4.175 12.022 1.00 0.00 H new ATOM 311 N PRO A 21 9.157 -3.984 8.972 1.00 0.00 N ATOM 312 CA PRO A 21 8.581 -2.792 8.284 1.00 0.00 C ATOM 313 C PRO A 21 8.745 -1.519 9.118 1.00 0.00 C ATOM 314 O PRO A 21 8.860 -0.430 8.594 1.00 0.00 O ATOM 315 CB PRO A 21 7.097 -3.129 8.133 1.00 0.00 C ATOM 316 CG PRO A 21 7.009 -4.618 8.182 1.00 0.00 C ATOM 317 CD PRO A 21 8.217 -5.121 8.973 1.00 0.00 C ATOM 0 HA PRO A 21 9.080 -2.596 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.510 -2.676 8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.703 -2.745 7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.080 -4.932 8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.008 -5.036 7.175 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.937 -5.404 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.658 -6.002 8.507 1.00 0.00 H new ATOM 325 N ALA A 22 8.762 -1.652 10.412 1.00 0.00 N ATOM 326 CA ALA A 22 8.924 -0.457 11.287 1.00 0.00 C ATOM 327 C ALA A 22 10.373 0.033 11.216 1.00 0.00 C ATOM 328 O ALA A 22 10.690 1.129 11.633 1.00 0.00 O ATOM 329 CB ALA A 22 8.586 -0.839 12.728 1.00 0.00 C ATOM 0 H ALA A 22 8.670 -2.540 10.905 1.00 0.00 H new ATOM 0 HA ALA A 22 8.256 0.336 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.703 0.032 13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.556 -1.192 12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.258 -1.630 13.062 1.00 0.00 H new ATOM 335 N ASP A 23 11.255 -0.780 10.701 1.00 0.00 N ATOM 336 CA ASP A 23 12.687 -0.377 10.612 1.00 0.00 C ATOM 337 C ASP A 23 13.042 -0.018 9.169 1.00 0.00 C ATOM 338 O ASP A 23 14.197 0.144 8.830 1.00 0.00 O ATOM 339 CB ASP A 23 13.570 -1.536 11.078 1.00 0.00 C ATOM 340 CG ASP A 23 13.336 -1.791 12.568 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.724 -0.948 13.204 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.772 -2.824 13.048 1.00 0.00 O ATOM 0 H ASP A 23 11.044 -1.709 10.337 1.00 0.00 H new ATOM 0 HA ASP A 23 12.853 0.493 11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.341 -2.434 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.619 -1.302 10.899 1.00 0.00 H new ATOM 347 N VAL A 24 12.063 0.110 8.315 1.00 0.00 N ATOM 348 CA VAL A 24 12.356 0.459 6.896 1.00 0.00 C ATOM 349 C VAL A 24 12.000 1.926 6.661 1.00 0.00 C ATOM 350 O VAL A 24 11.028 2.432 7.186 1.00 0.00 O ATOM 351 CB VAL A 24 11.527 -0.427 5.963 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.118 0.151 5.817 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.197 -0.484 4.588 1.00 0.00 C ATOM 0 H VAL A 24 11.075 -0.012 8.538 1.00 0.00 H new ATOM 0 HA VAL A 24 13.414 0.299 6.690 1.00 0.00 H new ATOM 0 HB VAL A 24 11.463 -1.431 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.532 -0.483 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.639 0.192 6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.179 1.156 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.608 -1.115 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.261 0.522 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.200 -0.900 4.689 1.00 0.00 H new ATOM 363 N ASP A 25 12.785 2.619 5.885 1.00 0.00 N ATOM 364 CA ASP A 25 12.489 4.054 5.630 1.00 0.00 C ATOM 365 C ASP A 25 11.265 4.169 4.723 1.00 0.00 C ATOM 366 O ASP A 25 11.381 4.260 3.517 1.00 0.00 O ATOM 367 CB ASP A 25 13.693 4.709 4.949 1.00 0.00 C ATOM 368 CG ASP A 25 14.874 4.741 5.919 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.657 4.497 7.095 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.977 5.009 5.471 1.00 0.00 O ATOM 0 H ASP A 25 13.616 2.255 5.418 1.00 0.00 H new ATOM 0 HA ASP A 25 12.288 4.557 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.962 4.154 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.440 5.721 4.634 1.00 0.00 H new ATOM 375 N VAL A 26 10.091 4.168 5.293 1.00 0.00 N ATOM 376 CA VAL A 26 8.861 4.281 4.457 1.00 0.00 C ATOM 377 C VAL A 26 8.870 5.624 3.722 1.00 0.00 C ATOM 378 O VAL A 26 7.930 5.973 3.036 1.00 0.00 O ATOM 379 CB VAL A 26 7.627 4.202 5.356 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.671 2.910 6.174 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.612 5.404 6.302 1.00 0.00 C ATOM 0 H VAL A 26 9.930 4.094 6.297 1.00 0.00 H new ATOM 0 HA VAL A 26 8.836 3.468 3.732 1.00 0.00 H new ATOM 0 HB VAL A 26 6.727 4.210 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.791 2.855 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.684 2.053 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.570 2.900 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.733 5.350 6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.512 5.394 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.580 6.325 5.720 1.00 0.00 H new ATOM 391 N ASP A 27 9.931 6.374 3.851 1.00 0.00 N ATOM 392 CA ASP A 27 10.007 7.687 3.150 1.00 0.00 C ATOM 393 C ASP A 27 10.693 7.488 1.798 1.00 0.00 C ATOM 394 O ASP A 27 10.954 8.428 1.074 1.00 0.00 O ATOM 395 CB ASP A 27 10.817 8.673 3.996 1.00 0.00 C ATOM 396 CG ASP A 27 10.059 8.980 5.288 1.00 0.00 C ATOM 397 OD1 ASP A 27 8.891 8.637 5.363 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.659 9.554 6.182 1.00 0.00 O ATOM 0 H ASP A 27 10.748 6.134 4.412 1.00 0.00 H new ATOM 0 HA ASP A 27 9.003 8.085 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.795 8.252 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.990 9.592 3.436 1.00 0.00 H new ATOM 403 N LEU A 28 10.986 6.264 1.458 1.00 0.00 N ATOM 404 CA LEU A 28 11.656 5.981 0.158 1.00 0.00 C ATOM 405 C LEU A 28 10.608 5.610 -0.884 1.00 0.00 C ATOM 406 O LEU A 28 9.677 4.879 -0.607 1.00 0.00 O ATOM 407 CB LEU A 28 12.623 4.809 0.329 1.00 0.00 C ATOM 408 CG LEU A 28 13.388 4.574 -0.976 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.839 5.026 -0.808 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.351 3.083 -1.324 1.00 0.00 C ATOM 0 H LEU A 28 10.789 5.442 2.029 1.00 0.00 H new ATOM 0 HA LEU A 28 12.202 6.867 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.322 5.018 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.073 3.909 0.606 1.00 0.00 H new ATOM 0 HG LEU A 28 12.924 5.147 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.382 4.858 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.863 6.087 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.307 4.455 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.895 2.913 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.815 2.510 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.316 2.763 -1.446 1.00 0.00 H new ATOM 422 N ASP A 29 10.752 6.093 -2.085 1.00 0.00 N ATOM 423 CA ASP A 29 9.760 5.742 -3.130 1.00 0.00 C ATOM 424 C ASP A 29 9.784 4.227 -3.313 1.00 0.00 C ATOM 425 O ASP A 29 10.808 3.643 -3.607 1.00 0.00 O ATOM 426 CB ASP A 29 10.128 6.431 -4.446 1.00 0.00 C ATOM 427 CG ASP A 29 9.982 7.945 -4.288 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.395 8.365 -3.304 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.460 8.660 -5.153 1.00 0.00 O ATOM 0 H ASP A 29 11.507 6.710 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 29 8.764 6.071 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.151 6.181 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.482 6.075 -5.248 1.00 0.00 H new ATOM 434 N LEU A 30 8.670 3.582 -3.122 1.00 0.00 N ATOM 435 CA LEU A 30 8.637 2.102 -3.262 1.00 0.00 C ATOM 436 C LEU A 30 8.888 1.709 -4.720 1.00 0.00 C ATOM 437 O LEU A 30 8.767 0.557 -5.088 1.00 0.00 O ATOM 438 CB LEU A 30 7.271 1.580 -2.808 1.00 0.00 C ATOM 439 CG LEU A 30 6.191 2.035 -3.792 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.682 0.832 -4.590 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.029 2.657 -3.016 1.00 0.00 C ATOM 0 H LEU A 30 7.780 4.016 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 30 9.417 1.662 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.288 0.492 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.044 1.949 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 30 6.612 2.771 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.913 1.159 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.509 0.385 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.261 0.094 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.258 2.982 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.611 1.918 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.389 3.515 -2.448 1.00 0.00 H new ATOM 453 N VAL A 31 9.238 2.650 -5.554 1.00 0.00 N ATOM 454 CA VAL A 31 9.490 2.309 -6.982 1.00 0.00 C ATOM 455 C VAL A 31 10.467 1.138 -7.051 1.00 0.00 C ATOM 456 O VAL A 31 10.331 0.252 -7.871 1.00 0.00 O ATOM 457 CB VAL A 31 10.084 3.520 -7.705 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.557 3.671 -7.324 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.967 3.316 -9.217 1.00 0.00 C ATOM 0 H VAL A 31 9.360 3.633 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 31 8.552 2.033 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 31 9.541 4.419 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.980 4.534 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.641 3.815 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.102 2.773 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.390 4.177 -9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.511 2.417 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.917 3.208 -9.489 1.00 0.00 H new ATOM 469 N ASP A 32 11.438 1.111 -6.183 1.00 0.00 N ATOM 470 CA ASP A 32 12.400 -0.025 -6.191 1.00 0.00 C ATOM 471 C ASP A 32 11.610 -1.306 -5.933 1.00 0.00 C ATOM 472 O ASP A 32 11.912 -2.360 -6.456 1.00 0.00 O ATOM 473 CB ASP A 32 13.447 0.174 -5.091 1.00 0.00 C ATOM 474 CG ASP A 32 12.768 0.129 -3.721 1.00 0.00 C ATOM 475 OD1 ASP A 32 11.570 0.351 -3.667 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.459 -0.127 -2.748 1.00 0.00 O ATOM 0 H ASP A 32 11.607 1.822 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 32 12.916 -0.083 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.209 -0.603 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.953 1.130 -5.226 1.00 0.00 H new ATOM 481 N ASN A 33 10.582 -1.203 -5.137 1.00 0.00 N ATOM 482 CA ASN A 33 9.732 -2.383 -4.837 1.00 0.00 C ATOM 483 C ASN A 33 8.651 -2.491 -5.908 1.00 0.00 C ATOM 484 O ASN A 33 7.657 -3.168 -5.735 1.00 0.00 O ATOM 485 CB ASN A 33 9.079 -2.212 -3.471 1.00 0.00 C ATOM 486 CG ASN A 33 10.162 -2.033 -2.411 1.00 0.00 C ATOM 487 OD1 ASN A 33 11.124 -2.774 -2.372 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.048 -1.066 -1.550 1.00 0.00 N ATOM 0 H ASN A 33 10.293 -0.339 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 33 10.342 -3.286 -4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.415 -1.347 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.466 -3.082 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.767 -0.928 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.240 -0.445 -1.585 1.00 0.00 H new ATOM 495 N GLY A 34 8.834 -1.808 -7.007 1.00 0.00 N ATOM 496 CA GLY A 34 7.821 -1.849 -8.098 1.00 0.00 C ATOM 497 C GLY A 34 7.335 -3.285 -8.282 1.00 0.00 C ATOM 498 O GLY A 34 6.317 -3.533 -8.894 1.00 0.00 O ATOM 0 H GLY A 34 9.647 -1.221 -7.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.982 -1.197 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.255 -1.478 -9.027 1.00 0.00 H new ATOM 502 N VAL A 35 8.044 -4.233 -7.744 1.00 0.00 N ATOM 503 CA VAL A 35 7.602 -5.648 -7.878 1.00 0.00 C ATOM 504 C VAL A 35 6.178 -5.764 -7.331 1.00 0.00 C ATOM 505 O VAL A 35 5.362 -6.510 -7.835 1.00 0.00 O ATOM 506 CB VAL A 35 8.536 -6.555 -7.073 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.955 -7.969 -7.016 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.910 -6.596 -7.745 1.00 0.00 C ATOM 0 H VAL A 35 8.907 -4.092 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 35 7.627 -5.951 -8.925 1.00 0.00 H new ATOM 0 HB VAL A 35 8.636 -6.164 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.621 -8.613 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.976 -7.941 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.853 -8.361 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.576 -7.242 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.808 -6.986 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.326 -5.589 -7.784 1.00 0.00 H new ATOM 518 N ILE A 36 5.882 -5.026 -6.297 1.00 0.00 N ATOM 519 CA ILE A 36 4.519 -5.074 -5.694 1.00 0.00 C ATOM 520 C ILE A 36 3.503 -4.424 -6.633 1.00 0.00 C ATOM 521 O ILE A 36 2.323 -4.689 -6.564 1.00 0.00 O ATOM 522 CB ILE A 36 4.525 -4.281 -4.388 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.354 -4.732 -3.514 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.370 -2.794 -4.712 1.00 0.00 C ATOM 525 CD1 ILE A 36 3.318 -3.906 -2.226 1.00 0.00 C ATOM 0 H ILE A 36 6.531 -4.386 -5.840 1.00 0.00 H new ATOM 0 HA ILE A 36 4.249 -6.115 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 36 5.461 -4.451 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.417 -4.615 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.454 -5.791 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.373 -2.218 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.198 -2.471 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.429 -2.632 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.482 -4.232 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.250 -4.045 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.197 -2.851 -2.473 1.00 0.00 H new ATOM 537 N ASP A 37 3.950 -3.546 -7.482 1.00 0.00 N ATOM 538 CA ASP A 37 3.012 -2.836 -8.401 1.00 0.00 C ATOM 539 C ASP A 37 2.220 -3.821 -9.267 1.00 0.00 C ATOM 540 O ASP A 37 1.095 -3.550 -9.636 1.00 0.00 O ATOM 541 CB ASP A 37 3.801 -1.893 -9.311 1.00 0.00 C ATOM 542 CG ASP A 37 4.452 -0.794 -8.468 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.068 -0.652 -7.318 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.323 -0.115 -8.985 1.00 0.00 O ATOM 0 H ASP A 37 4.931 -3.285 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 37 2.308 -2.272 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.565 -2.450 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.139 -1.451 -10.055 1.00 0.00 H new ATOM 549 N SER A 38 2.796 -4.939 -9.628 1.00 0.00 N ATOM 550 CA SER A 38 2.060 -5.899 -10.505 1.00 0.00 C ATOM 551 C SER A 38 1.740 -7.204 -9.768 1.00 0.00 C ATOM 552 O SER A 38 0.591 -7.547 -9.572 1.00 0.00 O ATOM 553 CB SER A 38 2.919 -6.211 -11.729 1.00 0.00 C ATOM 554 OG SER A 38 2.085 -6.258 -12.893 1.00 0.00 O ATOM 0 H SER A 38 3.736 -5.227 -9.356 1.00 0.00 H new ATOM 0 HA SER A 38 1.118 -5.439 -10.802 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.690 -5.450 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.431 -7.164 -11.595 1.00 0.00 H new ATOM 0 HG SER A 38 2.633 -6.456 -13.681 1.00 0.00 H new ATOM 559 N LEU A 39 2.738 -7.949 -9.387 1.00 0.00 N ATOM 560 CA LEU A 39 2.473 -9.244 -8.698 1.00 0.00 C ATOM 561 C LEU A 39 1.829 -9.001 -7.335 1.00 0.00 C ATOM 562 O LEU A 39 0.806 -9.570 -7.010 1.00 0.00 O ATOM 563 CB LEU A 39 3.789 -10.000 -8.506 1.00 0.00 C ATOM 564 CG LEU A 39 4.351 -10.430 -9.864 1.00 0.00 C ATOM 565 CD1 LEU A 39 5.408 -9.425 -10.326 1.00 0.00 C ATOM 566 CD2 LEU A 39 4.990 -11.815 -9.732 1.00 0.00 C ATOM 0 H LEU A 39 3.723 -7.720 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 39 1.792 -9.834 -9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.510 -9.366 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.626 -10.875 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 39 3.543 -10.466 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.806 -9.734 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.955 -8.438 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.217 -9.386 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.391 -12.124 -10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.796 -11.775 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.238 -12.533 -9.405 1.00 0.00 H new ATOM 578 N GLY A 40 2.419 -8.163 -6.537 1.00 0.00 N ATOM 579 CA GLY A 40 1.842 -7.885 -5.196 1.00 0.00 C ATOM 580 C GLY A 40 0.555 -7.081 -5.347 1.00 0.00 C ATOM 581 O GLY A 40 -0.406 -7.285 -4.632 1.00 0.00 O ATOM 0 H GLY A 40 3.277 -7.657 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.639 -8.821 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.559 -7.332 -4.589 1.00 0.00 H new ATOM 585 N LEU A 41 0.531 -6.162 -6.271 1.00 0.00 N ATOM 586 CA LEU A 41 -0.691 -5.339 -6.464 1.00 0.00 C ATOM 587 C LEU A 41 -1.865 -6.257 -6.786 1.00 0.00 C ATOM 588 O LEU A 41 -2.956 -6.082 -6.288 1.00 0.00 O ATOM 589 CB LEU A 41 -0.476 -4.365 -7.625 1.00 0.00 C ATOM 590 CG LEU A 41 -1.661 -3.404 -7.720 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.415 -2.200 -6.811 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.815 -2.928 -9.167 1.00 0.00 C ATOM 0 H LEU A 41 1.305 -5.947 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.900 -4.776 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.447 -3.805 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.367 -4.916 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.571 -3.916 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.260 -1.515 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.304 -2.539 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.506 -1.687 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.660 -2.243 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.905 -2.416 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.990 -3.786 -9.816 1.00 0.00 H new ATOM 604 N LEU A 42 -1.649 -7.242 -7.608 1.00 0.00 N ATOM 605 CA LEU A 42 -2.764 -8.166 -7.949 1.00 0.00 C ATOM 606 C LEU A 42 -3.267 -8.811 -6.660 1.00 0.00 C ATOM 607 O LEU A 42 -4.455 -8.928 -6.432 1.00 0.00 O ATOM 608 CB LEU A 42 -2.258 -9.248 -8.908 1.00 0.00 C ATOM 609 CG LEU A 42 -3.428 -10.113 -9.377 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.099 -9.447 -10.574 1.00 0.00 C ATOM 611 CD2 LEU A 42 -2.908 -11.492 -9.788 1.00 0.00 C ATOM 0 H LEU A 42 -0.756 -7.447 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.573 -7.618 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.768 -8.787 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.512 -9.868 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.149 -10.223 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.934 -10.061 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.466 -8.463 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.377 -9.341 -11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.741 -12.110 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.188 -11.383 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.423 -11.967 -8.935 1.00 0.00 H new ATOM 623 N LYS A 43 -2.369 -9.217 -5.806 1.00 0.00 N ATOM 624 CA LYS A 43 -2.790 -9.837 -4.524 1.00 0.00 C ATOM 625 C LYS A 43 -3.498 -8.789 -3.662 1.00 0.00 C ATOM 626 O LYS A 43 -4.455 -9.081 -2.971 1.00 0.00 O ATOM 627 CB LYS A 43 -1.557 -10.356 -3.790 1.00 0.00 C ATOM 628 CG LYS A 43 -0.911 -11.480 -4.603 1.00 0.00 C ATOM 629 CD LYS A 43 0.254 -12.078 -3.812 1.00 0.00 C ATOM 630 CE LYS A 43 0.973 -13.119 -4.672 1.00 0.00 C ATOM 631 NZ LYS A 43 2.368 -13.294 -4.177 1.00 0.00 N ATOM 0 H LYS A 43 -1.361 -9.145 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.472 -10.664 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.843 -9.546 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.837 -10.722 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.648 -12.252 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.556 -11.094 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.949 -11.292 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.114 -12.539 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.440 -14.069 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.983 -12.801 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.857 -14.002 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.874 -12.387 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.348 -13.616 -3.188 1.00 0.00 H new ATOM 645 N VAL A 44 -3.025 -7.571 -3.689 1.00 0.00 N ATOM 646 CA VAL A 44 -3.658 -6.501 -2.863 1.00 0.00 C ATOM 647 C VAL A 44 -5.083 -6.222 -3.350 1.00 0.00 C ATOM 648 O VAL A 44 -6.013 -6.164 -2.572 1.00 0.00 O ATOM 649 CB VAL A 44 -2.828 -5.222 -2.974 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.559 -4.075 -2.275 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.468 -5.442 -2.308 1.00 0.00 C ATOM 0 H VAL A 44 -2.227 -7.271 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.698 -6.833 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.684 -4.971 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.966 -3.164 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.529 -3.920 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.704 -4.323 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.873 -4.532 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.614 -5.692 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.947 -6.259 -2.806 1.00 0.00 H new ATOM 661 N ILE A 45 -5.265 -6.042 -4.626 1.00 0.00 N ATOM 662 CA ILE A 45 -6.628 -5.762 -5.145 1.00 0.00 C ATOM 663 C ILE A 45 -7.554 -6.939 -4.832 1.00 0.00 C ATOM 664 O ILE A 45 -8.694 -6.758 -4.451 1.00 0.00 O ATOM 665 CB ILE A 45 -6.558 -5.550 -6.658 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.635 -4.368 -6.988 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.954 -5.262 -7.188 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.065 -3.126 -6.204 1.00 0.00 C ATOM 0 H ILE A 45 -4.529 -6.077 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.021 -4.864 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.160 -6.451 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.604 -4.623 -6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.666 -4.161 -8.058 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.910 -5.110 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.608 -6.105 -6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.346 -4.364 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.403 -2.295 -6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.089 -2.864 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.010 -3.333 -5.135 1.00 0.00 H new ATOM 680 N ALA A 46 -7.080 -8.144 -4.987 1.00 0.00 N ATOM 681 CA ALA A 46 -7.943 -9.322 -4.695 1.00 0.00 C ATOM 682 C ALA A 46 -8.279 -9.353 -3.203 1.00 0.00 C ATOM 683 O ALA A 46 -9.410 -9.574 -2.813 1.00 0.00 O ATOM 684 CB ALA A 46 -7.195 -10.601 -5.073 1.00 0.00 C ATOM 0 H ALA A 46 -6.135 -8.363 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.865 -9.251 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.823 -11.466 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.953 -10.580 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.275 -10.670 -4.492 1.00 0.00 H new ATOM 690 N TRP A 47 -7.306 -9.124 -2.366 1.00 0.00 N ATOM 691 CA TRP A 47 -7.564 -9.132 -0.900 1.00 0.00 C ATOM 692 C TRP A 47 -8.358 -7.885 -0.515 1.00 0.00 C ATOM 693 O TRP A 47 -9.252 -7.933 0.307 1.00 0.00 O ATOM 694 CB TRP A 47 -6.230 -9.145 -0.152 1.00 0.00 C ATOM 695 CG TRP A 47 -6.371 -8.400 1.135 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.836 -8.923 2.292 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.050 -7.007 1.415 1.00 0.00 C ATOM 698 NE1 TRP A 47 -6.818 -7.939 3.264 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.343 -6.740 2.771 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.538 -5.962 0.629 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.133 -5.478 3.328 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.326 -4.692 1.184 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.622 -4.450 2.530 1.00 0.00 C ATOM 0 H TRP A 47 -6.341 -8.931 -2.635 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.138 -10.020 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.920 -10.172 0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.453 -8.688 -0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.167 -9.941 2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.119 -8.082 4.228 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.306 -6.138 -0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.363 -5.297 4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.932 -3.896 0.569 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.456 -3.470 2.952 1.00 0.00 H new ATOM 714 N LEU A 48 -8.033 -6.767 -1.100 1.00 0.00 N ATOM 715 CA LEU A 48 -8.759 -5.514 -0.769 1.00 0.00 C ATOM 716 C LEU A 48 -10.250 -5.694 -1.066 1.00 0.00 C ATOM 717 O LEU A 48 -11.099 -5.266 -0.309 1.00 0.00 O ATOM 718 CB LEU A 48 -8.200 -4.376 -1.626 1.00 0.00 C ATOM 719 CG LEU A 48 -8.793 -3.048 -1.174 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.008 -2.531 0.028 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.700 -2.038 -2.319 1.00 0.00 C ATOM 0 H LEU A 48 -7.293 -6.668 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.629 -5.279 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.114 -4.346 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.435 -4.551 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.838 -3.186 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.429 -1.580 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.069 -3.254 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.964 -2.389 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.124 -1.086 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.655 -1.896 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.255 -2.411 -3.180 1.00 0.00 H new ATOM 733 N GLU A 49 -10.576 -6.333 -2.158 1.00 0.00 N ATOM 734 CA GLU A 49 -12.013 -6.546 -2.494 1.00 0.00 C ATOM 735 C GLU A 49 -12.675 -7.391 -1.408 1.00 0.00 C ATOM 736 O GLU A 49 -13.813 -7.175 -1.052 1.00 0.00 O ATOM 737 CB GLU A 49 -12.123 -7.252 -3.853 1.00 0.00 C ATOM 738 CG GLU A 49 -13.555 -7.738 -4.081 1.00 0.00 C ATOM 739 CD GLU A 49 -13.673 -8.339 -5.483 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.662 -8.413 -6.161 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.773 -8.716 -5.854 1.00 0.00 O ATOM 0 H GLU A 49 -9.911 -6.716 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.520 -5.583 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.832 -6.569 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.435 -8.096 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.821 -8.483 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.254 -6.909 -3.969 1.00 0.00 H new ATOM 748 N ASP A 50 -11.980 -8.354 -0.880 1.00 0.00 N ATOM 749 CA ASP A 50 -12.589 -9.203 0.178 1.00 0.00 C ATOM 750 C ASP A 50 -12.980 -8.339 1.381 1.00 0.00 C ATOM 751 O ASP A 50 -13.993 -8.563 2.014 1.00 0.00 O ATOM 752 CB ASP A 50 -11.583 -10.264 0.620 1.00 0.00 C ATOM 753 CG ASP A 50 -12.277 -11.282 1.528 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.484 -11.186 1.677 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.590 -12.139 2.057 1.00 0.00 O ATOM 0 H ASP A 50 -11.021 -8.591 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.481 -9.686 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.162 -10.766 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.754 -9.795 1.149 1.00 0.00 H new ATOM 760 N ARG A 51 -12.174 -7.369 1.716 1.00 0.00 N ATOM 761 CA ARG A 51 -12.485 -6.510 2.894 1.00 0.00 C ATOM 762 C ARG A 51 -13.600 -5.498 2.590 1.00 0.00 C ATOM 763 O ARG A 51 -14.485 -5.295 3.397 1.00 0.00 O ATOM 764 CB ARG A 51 -11.225 -5.750 3.303 1.00 0.00 C ATOM 765 CG ARG A 51 -10.186 -6.732 3.846 1.00 0.00 C ATOM 766 CD ARG A 51 -8.992 -5.953 4.398 1.00 0.00 C ATOM 767 NE ARG A 51 -9.405 -5.213 5.623 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.602 -5.859 6.740 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.436 -7.152 6.784 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.964 -5.211 7.813 1.00 0.00 N ATOM 0 H ARG A 51 -11.312 -7.134 1.224 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.829 -7.159 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.819 -5.212 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.467 -5.005 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.626 -7.348 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.860 -7.408 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.175 -6.636 4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.620 -5.256 3.647 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.534 -4.202 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.152 -7.659 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.590 -7.657 7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.093 -4.200 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.118 -5.716 8.686 1.00 0.00 H new ATOM 784 N PHE A 52 -13.556 -4.837 1.460 1.00 0.00 N ATOM 785 CA PHE A 52 -14.603 -3.820 1.159 1.00 0.00 C ATOM 786 C PHE A 52 -15.592 -4.344 0.116 1.00 0.00 C ATOM 787 O PHE A 52 -16.592 -3.714 -0.169 1.00 0.00 O ATOM 788 CB PHE A 52 -13.920 -2.563 0.623 1.00 0.00 C ATOM 789 CG PHE A 52 -13.054 -1.962 1.704 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.615 -1.099 2.652 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.689 -2.268 1.757 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.812 -0.541 3.654 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.885 -1.711 2.759 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.446 -0.847 3.707 1.00 0.00 C ATOM 0 H PHE A 52 -12.845 -4.958 0.739 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.156 -3.598 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.314 -2.809 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.668 -1.840 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.668 -0.863 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.256 -2.934 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.245 0.125 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.832 -1.948 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.826 -0.416 4.479 1.00 0.00 H new ATOM 804 N GLY A 53 -15.333 -5.482 -0.458 1.00 0.00 N ATOM 805 CA GLY A 53 -16.276 -6.021 -1.479 1.00 0.00 C ATOM 806 C GLY A 53 -16.242 -5.126 -2.720 1.00 0.00 C ATOM 807 O GLY A 53 -17.231 -4.968 -3.409 1.00 0.00 O ATOM 0 H GLY A 53 -14.515 -6.061 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.999 -7.041 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.287 -6.061 -1.073 1.00 0.00 H new ATOM 811 N ILE A 54 -15.115 -4.533 -3.009 1.00 0.00 N ATOM 812 CA ILE A 54 -15.027 -3.643 -4.204 1.00 0.00 C ATOM 813 C ILE A 54 -14.478 -4.432 -5.394 1.00 0.00 C ATOM 814 O ILE A 54 -13.558 -5.207 -5.264 1.00 0.00 O ATOM 815 CB ILE A 54 -14.094 -2.473 -3.895 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.620 -1.718 -2.673 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.045 -1.527 -5.096 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.563 -0.720 -2.198 1.00 0.00 C ATOM 0 H ILE A 54 -14.253 -4.626 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.020 -3.265 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.092 -2.849 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.543 -1.195 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.859 -2.419 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.379 -0.693 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.675 -2.065 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.046 -1.148 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.937 -0.181 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.652 -1.255 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.346 -0.012 -2.997 1.00 0.00 H new ATOM 830 N ALA A 55 -15.036 -4.241 -6.555 1.00 0.00 N ATOM 831 CA ALA A 55 -14.547 -4.991 -7.745 1.00 0.00 C ATOM 832 C ALA A 55 -13.080 -4.649 -7.993 1.00 0.00 C ATOM 833 O ALA A 55 -12.652 -3.526 -7.814 1.00 0.00 O ATOM 834 CB ALA A 55 -15.377 -4.602 -8.970 1.00 0.00 C ATOM 0 H ALA A 55 -15.809 -3.599 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.645 -6.062 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.019 -5.151 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.424 -4.846 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.280 -3.531 -9.150 1.00 0.00 H new ATOM 840 N ALA A 56 -12.303 -5.617 -8.394 1.00 0.00 N ATOM 841 CA ALA A 56 -10.859 -5.361 -8.643 1.00 0.00 C ATOM 842 C ALA A 56 -10.697 -4.340 -9.772 1.00 0.00 C ATOM 843 O ALA A 56 -9.787 -3.535 -9.767 1.00 0.00 O ATOM 844 CB ALA A 56 -10.174 -6.670 -9.039 1.00 0.00 C ATOM 0 H ALA A 56 -12.608 -6.576 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.402 -4.966 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.115 -6.486 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.282 -7.395 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.636 -7.063 -9.945 1.00 0.00 H new ATOM 850 N ASP A 57 -11.567 -4.371 -10.742 1.00 0.00 N ATOM 851 CA ASP A 57 -11.456 -3.407 -11.873 1.00 0.00 C ATOM 852 C ASP A 57 -12.311 -2.169 -11.589 1.00 0.00 C ATOM 853 O ASP A 57 -12.434 -1.288 -12.416 1.00 0.00 O ATOM 854 CB ASP A 57 -11.940 -4.074 -13.159 1.00 0.00 C ATOM 855 CG ASP A 57 -10.984 -5.207 -13.538 1.00 0.00 C ATOM 856 OD1 ASP A 57 -9.909 -5.265 -12.965 1.00 0.00 O ATOM 857 OD2 ASP A 57 -11.344 -5.997 -14.396 1.00 0.00 O ATOM 0 H ASP A 57 -12.350 -5.022 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.415 -3.105 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.948 -4.465 -13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.990 -3.341 -13.965 1.00 0.00 H new ATOM 862 N ASP A 58 -12.904 -2.094 -10.429 1.00 0.00 N ATOM 863 CA ASP A 58 -13.750 -0.910 -10.107 1.00 0.00 C ATOM 864 C ASP A 58 -12.921 0.368 -10.253 1.00 0.00 C ATOM 865 O ASP A 58 -13.395 1.372 -10.746 1.00 0.00 O ATOM 866 CB ASP A 58 -14.260 -1.024 -8.671 1.00 0.00 C ATOM 867 CG ASP A 58 -15.312 0.056 -8.414 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.662 0.750 -9.355 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.749 0.172 -7.281 1.00 0.00 O ATOM 0 H ASP A 58 -12.840 -2.798 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.597 -0.873 -10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.690 -2.012 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.432 -0.914 -7.970 1.00 0.00 H new ATOM 874 N VAL A 59 -11.687 0.335 -9.830 1.00 0.00 N ATOM 875 CA VAL A 59 -10.820 1.543 -9.944 1.00 0.00 C ATOM 876 C VAL A 59 -9.493 1.160 -10.602 1.00 0.00 C ATOM 877 O VAL A 59 -8.892 0.160 -10.265 1.00 0.00 O ATOM 878 CB VAL A 59 -10.552 2.109 -8.551 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.755 3.410 -8.671 1.00 0.00 C ATOM 880 CG2 VAL A 59 -11.883 2.390 -7.850 1.00 0.00 C ATOM 0 H VAL A 59 -11.240 -0.479 -9.409 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.323 2.295 -10.552 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.980 1.386 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.564 3.813 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.806 3.211 -9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.326 4.134 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.692 2.794 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.455 3.113 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.451 1.464 -7.763 1.00 0.00 H new ATOM 890 N GLU A 60 -9.029 1.948 -11.536 1.00 0.00 N ATOM 891 CA GLU A 60 -7.738 1.624 -12.207 1.00 0.00 C ATOM 892 C GLU A 60 -6.634 2.536 -11.670 1.00 0.00 C ATOM 893 O GLU A 60 -6.799 3.736 -11.576 1.00 0.00 O ATOM 894 CB GLU A 60 -7.876 1.829 -13.715 1.00 0.00 C ATOM 895 CG GLU A 60 -6.578 1.417 -14.398 1.00 0.00 C ATOM 896 CD GLU A 60 -6.692 1.650 -15.905 1.00 0.00 C ATOM 897 OE1 GLU A 60 -7.724 2.143 -16.332 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.746 1.333 -16.607 1.00 0.00 O ATOM 0 H GLU A 60 -9.487 2.799 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.481 0.585 -12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.707 1.238 -14.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.100 2.873 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.745 1.992 -13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.368 0.366 -14.198 1.00 0.00 H new ATOM 905 N LEU A 61 -5.511 1.970 -11.319 1.00 0.00 N ATOM 906 CA LEU A 61 -4.388 2.790 -10.785 1.00 0.00 C ATOM 907 C LEU A 61 -3.216 2.758 -11.770 1.00 0.00 C ATOM 908 O LEU A 61 -2.949 1.754 -12.399 1.00 0.00 O ATOM 909 CB LEU A 61 -3.945 2.215 -9.438 1.00 0.00 C ATOM 910 CG LEU A 61 -5.163 2.061 -8.528 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.714 1.651 -7.124 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.919 3.389 -8.454 1.00 0.00 C ATOM 0 H LEU A 61 -5.323 0.969 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.716 3.821 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.461 1.249 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.210 2.873 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.818 1.291 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.587 1.543 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.181 0.702 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.054 2.416 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.787 3.278 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.262 4.160 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.247 3.677 -9.453 1.00 0.00 H new ATOM 924 N SER A 62 -2.514 3.851 -11.910 1.00 0.00 N ATOM 925 CA SER A 62 -1.363 3.882 -12.854 1.00 0.00 C ATOM 926 C SER A 62 -0.064 3.619 -12.088 1.00 0.00 C ATOM 927 O SER A 62 -0.011 3.743 -10.880 1.00 0.00 O ATOM 928 CB SER A 62 -1.290 5.255 -13.523 1.00 0.00 C ATOM 929 OG SER A 62 0.001 5.811 -13.315 1.00 0.00 O ATOM 0 H SER A 62 -2.689 4.723 -11.411 1.00 0.00 H new ATOM 0 HA SER A 62 -1.497 3.113 -13.614 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.491 5.163 -14.590 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.053 5.914 -13.110 1.00 0.00 H new ATOM 0 HG SER A 62 0.051 6.691 -13.744 1.00 0.00 H new ATOM 935 N PRO A 63 0.975 3.257 -12.791 1.00 0.00 N ATOM 936 CA PRO A 63 2.306 2.967 -12.180 1.00 0.00 C ATOM 937 C PRO A 63 2.889 4.192 -11.473 1.00 0.00 C ATOM 938 O PRO A 63 3.588 4.080 -10.485 1.00 0.00 O ATOM 939 CB PRO A 63 3.188 2.568 -13.370 1.00 0.00 C ATOM 940 CG PRO A 63 2.483 3.072 -14.586 1.00 0.00 C ATOM 941 CD PRO A 63 0.995 3.089 -14.249 1.00 0.00 C ATOM 0 HA PRO A 63 2.238 2.191 -11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.182 3.007 -13.284 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.319 1.487 -13.414 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.832 4.070 -14.851 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.679 2.428 -15.443 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.479 3.905 -14.754 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.504 2.165 -14.553 1.00 0.00 H new ATOM 949 N GLU A 64 2.602 5.360 -11.973 1.00 0.00 N ATOM 950 CA GLU A 64 3.129 6.598 -11.336 1.00 0.00 C ATOM 951 C GLU A 64 2.511 6.761 -9.946 1.00 0.00 C ATOM 952 O GLU A 64 3.099 7.341 -9.054 1.00 0.00 O ATOM 953 CB GLU A 64 2.765 7.806 -12.198 1.00 0.00 C ATOM 954 CG GLU A 64 3.469 7.703 -13.546 1.00 0.00 C ATOM 955 CD GLU A 64 3.160 8.947 -14.382 1.00 0.00 C ATOM 956 OE1 GLU A 64 2.311 9.719 -13.968 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.780 9.107 -15.421 1.00 0.00 O ATOM 0 H GLU A 64 2.023 5.511 -12.799 1.00 0.00 H new ATOM 0 HA GLU A 64 4.213 6.527 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.686 7.850 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.057 8.727 -11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.545 7.609 -13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.139 6.807 -14.073 1.00 0.00 H new ATOM 964 N HIS A 65 1.319 6.263 -9.765 1.00 0.00 N ATOM 965 CA HIS A 65 0.635 6.393 -8.445 1.00 0.00 C ATOM 966 C HIS A 65 1.336 5.544 -7.379 1.00 0.00 C ATOM 967 O HIS A 65 1.251 5.826 -6.200 1.00 0.00 O ATOM 968 CB HIS A 65 -0.815 5.930 -8.588 1.00 0.00 C ATOM 969 CG HIS A 65 -1.442 5.816 -7.228 1.00 0.00 C ATOM 970 ND1 HIS A 65 -2.011 4.635 -6.773 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.594 6.723 -6.209 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.474 4.860 -5.530 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.245 6.115 -5.142 1.00 0.00 N ATOM 0 H HIS A 65 0.785 5.768 -10.479 1.00 0.00 H new ATOM 0 HA HIS A 65 0.671 7.437 -8.133 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.375 6.637 -9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.852 4.968 -9.099 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.260 7.750 -6.233 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.969 4.117 -4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.495 6.540 -4.249 1.00 0.00 H new ATOM 982 N PHE A 66 2.004 4.497 -7.772 1.00 0.00 N ATOM 983 CA PHE A 66 2.678 3.626 -6.765 1.00 0.00 C ATOM 984 C PHE A 66 4.119 4.089 -6.527 1.00 0.00 C ATOM 985 O PHE A 66 4.885 3.429 -5.854 1.00 0.00 O ATOM 986 CB PHE A 66 2.679 2.185 -7.275 1.00 0.00 C ATOM 987 CG PHE A 66 1.255 1.705 -7.400 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.578 1.220 -6.275 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.610 1.750 -8.640 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.746 0.779 -6.392 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.712 1.310 -8.758 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.391 0.824 -7.634 1.00 0.00 C ATOM 0 H PHE A 66 2.114 4.205 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 66 2.136 3.689 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.181 2.128 -8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.233 1.544 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.076 1.186 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.133 2.125 -9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.269 0.404 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.209 1.345 -9.716 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.412 0.484 -7.725 1.00 0.00 H new ATOM 1002 N ARG A 67 4.498 5.211 -7.070 1.00 0.00 N ATOM 1003 CA ARG A 67 5.893 5.698 -6.866 1.00 0.00 C ATOM 1004 C ARG A 67 6.165 5.899 -5.373 1.00 0.00 C ATOM 1005 O ARG A 67 7.244 5.618 -4.890 1.00 0.00 O ATOM 1006 CB ARG A 67 6.077 7.030 -7.595 1.00 0.00 C ATOM 1007 CG ARG A 67 5.857 6.824 -9.091 1.00 0.00 C ATOM 1008 CD ARG A 67 7.163 6.371 -9.746 1.00 0.00 C ATOM 1009 NE ARG A 67 8.161 7.475 -9.679 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.286 7.379 -10.334 1.00 0.00 C ATOM 1011 NH1 ARG A 67 9.536 6.317 -11.049 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.160 8.347 -10.275 1.00 0.00 N ATOM 0 H ARG A 67 3.906 5.811 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 67 6.590 4.959 -7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.372 7.768 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.078 7.421 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.079 6.078 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.512 7.751 -9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.549 5.486 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.984 6.091 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 67 7.965 8.306 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.852 5.562 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.415 6.242 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.964 9.178 -9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.039 8.272 -10.787 1.00 0.00 H new ATOM 1026 N SER A 68 5.200 6.388 -4.641 1.00 0.00 N ATOM 1027 CA SER A 68 5.409 6.613 -3.179 1.00 0.00 C ATOM 1028 C SER A 68 4.296 5.931 -2.380 1.00 0.00 C ATOM 1029 O SER A 68 3.157 5.878 -2.801 1.00 0.00 O ATOM 1030 CB SER A 68 5.392 8.114 -2.890 1.00 0.00 C ATOM 1031 OG SER A 68 6.415 8.749 -3.647 1.00 0.00 O ATOM 0 H SER A 68 4.276 6.642 -4.991 1.00 0.00 H new ATOM 0 HA SER A 68 6.370 6.191 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.420 8.535 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.546 8.293 -1.826 1.00 0.00 H new ATOM 0 HG SER A 68 7.292 8.460 -3.319 1.00 0.00 H new ATOM 1037 N ILE A 69 4.618 5.414 -1.224 1.00 0.00 N ATOM 1038 CA ILE A 69 3.591 4.742 -0.388 1.00 0.00 C ATOM 1039 C ILE A 69 2.537 5.761 0.057 1.00 0.00 C ATOM 1040 O ILE A 69 1.364 5.456 0.151 1.00 0.00 O ATOM 1041 CB ILE A 69 4.271 4.145 0.843 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.329 3.138 0.408 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.238 3.433 1.696 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.124 2.671 1.628 1.00 0.00 C ATOM 0 H ILE A 69 5.556 5.431 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 69 3.105 3.955 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 69 4.739 4.946 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.856 2.285 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.998 3.591 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.723 3.007 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.474 4.144 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.774 2.636 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.880 1.951 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.610 3.528 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.449 2.201 2.344 1.00 0.00 H new ATOM 1056 N ARG A 70 2.949 6.967 0.344 1.00 0.00 N ATOM 1057 CA ARG A 70 1.977 8.003 0.797 1.00 0.00 C ATOM 1058 C ARG A 70 0.933 8.258 -0.293 1.00 0.00 C ATOM 1059 O ARG A 70 -0.227 8.485 -0.011 1.00 0.00 O ATOM 1060 CB ARG A 70 2.725 9.304 1.096 1.00 0.00 C ATOM 1061 CG ARG A 70 3.681 9.086 2.270 1.00 0.00 C ATOM 1062 CD ARG A 70 4.341 10.414 2.645 1.00 0.00 C ATOM 1063 NE ARG A 70 5.036 10.977 1.454 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.598 12.153 1.521 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.552 12.836 2.632 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.207 12.646 0.478 1.00 0.00 N ATOM 0 H ARG A 70 3.918 7.279 0.284 1.00 0.00 H new ATOM 0 HA ARG A 70 1.474 7.650 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.281 9.627 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.016 10.097 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.138 8.684 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.442 8.353 2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.590 11.116 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.053 10.262 3.457 1.00 0.00 H new ATOM 0 HE ARG A 70 5.073 10.443 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.077 12.451 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.991 13.755 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.244 12.112 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.646 13.565 0.531 1.00 0.00 H new ATOM 1080 N SER A 71 1.331 8.228 -1.535 1.00 0.00 N ATOM 1081 CA SER A 71 0.355 8.473 -2.630 1.00 0.00 C ATOM 1082 C SER A 71 -0.778 7.450 -2.539 1.00 0.00 C ATOM 1083 O SER A 71 -1.931 7.765 -2.751 1.00 0.00 O ATOM 1084 CB SER A 71 1.065 8.333 -3.975 1.00 0.00 C ATOM 1085 OG SER A 71 2.207 9.179 -3.993 1.00 0.00 O ATOM 0 H SER A 71 2.288 8.045 -1.837 1.00 0.00 H new ATOM 0 HA SER A 71 -0.058 9.478 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.363 7.297 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.388 8.600 -4.786 1.00 0.00 H new ATOM 0 HG SER A 71 2.666 9.090 -4.854 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.457 6.228 -2.217 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.503 5.183 -2.104 1.00 0.00 C ATOM 1093 C ILE A 72 -2.479 5.560 -0.989 1.00 0.00 C ATOM 1094 O ILE A 72 -3.673 5.362 -1.101 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.832 3.852 -1.775 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.163 3.500 -2.884 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.893 2.762 -1.678 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.957 2.255 -2.485 1.00 0.00 C ATOM 0 H ILE A 72 0.493 5.910 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.051 5.097 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.305 3.931 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.368 3.321 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.841 4.336 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.416 1.810 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.604 3.015 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.418 2.680 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.665 2.006 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.500 2.451 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.273 1.420 -2.334 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.978 6.100 0.087 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.868 6.489 1.212 1.00 0.00 C ATOM 1112 C ASP A 73 -3.902 7.507 0.723 1.00 0.00 C ATOM 1113 O ASP A 73 -5.045 7.489 1.134 1.00 0.00 O ATOM 1114 CB ASP A 73 -2.025 7.112 2.324 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.108 6.047 2.927 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.302 4.883 2.617 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.229 6.413 3.689 1.00 0.00 O ATOM 0 H ASP A 73 -0.986 6.289 0.234 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.385 5.607 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.431 7.935 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.672 7.529 3.096 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.509 8.399 -0.146 1.00 0.00 N ATOM 1123 CA ALA A 74 -4.473 9.418 -0.650 1.00 0.00 C ATOM 1124 C ALA A 74 -5.595 8.729 -1.426 1.00 0.00 C ATOM 1125 O ALA A 74 -6.759 9.025 -1.244 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.744 10.399 -1.569 1.00 0.00 C ATOM 0 H ALA A 74 -2.565 8.466 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.900 9.958 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.449 11.144 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.948 10.895 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.315 9.857 -2.412 1.00 0.00 H new ATOM 1132 N PHE A 75 -5.259 7.808 -2.285 1.00 0.00 N ATOM 1133 CA PHE A 75 -6.314 7.102 -3.061 1.00 0.00 C ATOM 1134 C PHE A 75 -7.170 6.264 -2.111 1.00 0.00 C ATOM 1135 O PHE A 75 -8.381 6.250 -2.200 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.658 6.199 -4.106 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.267 7.027 -5.307 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.158 7.878 -5.242 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.014 6.942 -6.488 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -3.796 8.644 -6.356 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.652 7.708 -7.603 1.00 0.00 C ATOM 1142 CZ PHE A 75 -4.543 8.559 -7.537 1.00 0.00 C ATOM 0 H PHE A 75 -4.302 7.515 -2.483 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.949 7.831 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.779 5.713 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.347 5.408 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.581 7.944 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.870 6.285 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.940 9.301 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.229 7.642 -8.514 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.264 9.150 -8.397 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.551 5.572 -1.194 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.325 4.747 -0.235 1.00 0.00 C ATOM 1154 C VAL A 76 -8.178 5.664 0.645 1.00 0.00 C ATOM 1155 O VAL A 76 -9.318 5.370 0.945 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.356 3.952 0.637 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -7.127 3.284 1.768 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.668 2.881 -0.213 1.00 0.00 C ATOM 0 H VAL A 76 -5.539 5.545 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.975 4.059 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.605 4.623 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.438 2.716 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.620 4.046 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.876 2.612 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.976 2.313 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.419 2.209 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.119 3.358 -1.025 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.631 6.775 1.060 1.00 0.00 N ATOM 1169 CA VAL A 77 -8.399 7.712 1.916 1.00 0.00 C ATOM 1170 C VAL A 77 -9.645 8.190 1.167 1.00 0.00 C ATOM 1171 O VAL A 77 -10.720 8.288 1.725 1.00 0.00 O ATOM 1172 CB VAL A 77 -7.514 8.911 2.250 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -8.358 9.991 2.916 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -6.400 8.473 3.203 1.00 0.00 C ATOM 0 H VAL A 77 -6.680 7.071 0.839 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.705 7.208 2.833 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.073 9.306 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.729 10.848 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.152 10.302 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.797 9.596 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.768 9.328 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.839 8.079 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.798 7.699 2.728 1.00 0.00 H new ATOM 1184 N GLY A 78 -9.503 8.499 -0.092 1.00 0.00 N ATOM 1185 CA GLY A 78 -10.669 8.984 -0.885 1.00 0.00 C ATOM 1186 C GLY A 78 -11.755 7.904 -0.975 1.00 0.00 C ATOM 1187 O GLY A 78 -12.932 8.203 -1.000 1.00 0.00 O ATOM 0 H GLY A 78 -8.626 8.436 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.080 9.882 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.342 9.262 -1.887 1.00 0.00 H new ATOM 1191 N ALA A 79 -11.377 6.655 -1.040 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.404 5.577 -1.146 1.00 0.00 C ATOM 1193 C ALA A 79 -12.818 5.108 0.247 1.00 0.00 C ATOM 1194 O ALA A 79 -13.988 5.039 0.569 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.823 4.397 -1.928 1.00 0.00 C ATOM 0 H ALA A 79 -10.408 6.336 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.279 5.968 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.572 3.609 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.538 4.727 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.945 4.013 -1.408 1.00 0.00 H new ATOM 1201 N THR A 80 -11.865 4.797 1.077 1.00 0.00 N ATOM 1202 CA THR A 80 -12.186 4.343 2.458 1.00 0.00 C ATOM 1203 C THR A 80 -11.381 5.187 3.439 1.00 0.00 C ATOM 1204 O THR A 80 -10.333 5.694 3.105 1.00 0.00 O ATOM 1205 CB THR A 80 -11.808 2.868 2.616 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.395 2.751 2.711 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.308 2.079 1.405 1.00 0.00 C ATOM 0 H THR A 80 -10.870 4.838 0.857 1.00 0.00 H new ATOM 0 HA THR A 80 -13.253 4.456 2.653 1.00 0.00 H new ATOM 0 HB THR A 80 -12.267 2.469 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.151 1.807 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.038 1.029 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.392 2.170 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.851 2.475 0.498 1.00 0.00 H new ATOM 1215 N THR A 81 -11.854 5.350 4.641 1.00 0.00 N ATOM 1216 CA THR A 81 -11.095 6.174 5.618 1.00 0.00 C ATOM 1217 C THR A 81 -11.153 5.529 7.009 1.00 0.00 C ATOM 1218 O THR A 81 -12.012 5.844 7.809 1.00 0.00 O ATOM 1219 CB THR A 81 -11.713 7.573 5.666 1.00 0.00 C ATOM 1220 OG1 THR A 81 -11.224 8.270 6.803 1.00 0.00 O ATOM 1221 CG2 THR A 81 -13.236 7.456 5.749 1.00 0.00 C ATOM 0 H THR A 81 -12.727 4.952 4.987 1.00 0.00 H new ATOM 0 HA THR A 81 -10.051 6.240 5.310 1.00 0.00 H new ATOM 0 HB THR A 81 -11.442 8.121 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.508 7.749 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.676 8.453 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.608 6.925 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.510 6.907 6.650 1.00 0.00 H new