USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 40 ASN : amide:sc= -3.62! K(o=-3.6!,f=-0.4) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 10 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-4.2!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 22 SER OG : rot -128:sc= -2.88! USER MOD Single : A 24 HIS : no HD1:sc= -2.03 K(o=-2,f=-1) USER MOD Single : A 28 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -120:sc= -4.02! (180deg=-5.62!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= -1.94 (180deg=-2.01) USER MOD Single : A 62 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -3.21! USER MOD Single : A 67 GLN : amide:sc= -4.34! C(o=-4.3!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -7.577 -14.888 -9.519 1.00 0.00 N ATOM 2 CA ARG A 9 -8.893 -14.276 -9.376 1.00 0.00 C ATOM 3 C ARG A 9 -9.043 -13.608 -8.013 1.00 0.00 C ATOM 4 O ARG A 9 -9.448 -14.248 -7.041 1.00 0.00 O ATOM 5 CB ARG A 9 -9.988 -15.327 -9.566 1.00 0.00 C ATOM 6 CG ARG A 9 -9.952 -16.006 -10.925 1.00 0.00 C ATOM 7 CD ARG A 9 -11.051 -17.050 -11.056 1.00 0.00 C ATOM 8 NE ARG A 9 -12.380 -16.468 -10.891 1.00 0.00 N ATOM 9 CZ ARG A 9 -13.510 -17.170 -10.958 1.00 0.00 C ATOM 10 NH1 ARG A 9 -13.474 -18.478 -11.185 1.00 0.00 N ATOM 11 NH2 ARG A 9 -14.677 -16.564 -10.795 1.00 0.00 N ATOM 0 HA ARG A 9 -8.994 -13.510 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.891 -16.085 -8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.961 -14.854 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.064 -15.258 -11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.981 -16.478 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.983 -17.527 -12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.901 -17.830 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.447 -15.466 -10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.578 -18.950 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.342 -19.011 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.710 -15.560 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.542 -17.102 -10.846 1.00 0.00 H new ATOM 25 N HIS A 10 -8.720 -12.321 -7.949 1.00 0.00 N ATOM 26 CA HIS A 10 -8.822 -11.565 -6.705 1.00 0.00 C ATOM 27 C HIS A 10 -8.426 -10.107 -6.923 1.00 0.00 C ATOM 28 O HIS A 10 -7.511 -9.811 -7.691 1.00 0.00 O ATOM 29 CB HIS A 10 -7.935 -12.194 -5.628 1.00 0.00 C ATOM 30 CG HIS A 10 -8.012 -11.497 -4.303 1.00 0.00 C ATOM 31 ND1 HIS A 10 -7.628 -10.186 -4.116 1.00 0.00 N ATOM 32 CD2 HIS A 10 -8.435 -11.939 -3.095 1.00 0.00 C ATOM 33 CE1 HIS A 10 -7.812 -9.851 -2.852 1.00 0.00 C ATOM 34 NE2 HIS A 10 -8.300 -10.897 -2.211 1.00 0.00 N ATOM 0 H HIS A 10 -8.385 -11.778 -8.745 1.00 0.00 H new ATOM 0 HA HIS A 10 -9.860 -11.595 -6.372 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.222 -13.237 -5.497 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.901 -12.188 -5.972 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.809 -12.927 -2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.599 -8.886 -2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.538 -10.926 -1.220 1.00 0.00 H new ATOM 43 N GLU A 11 -9.121 -9.202 -6.241 1.00 0.00 N ATOM 44 CA GLU A 11 -8.840 -7.776 -6.360 1.00 0.00 C ATOM 45 C GLU A 11 -8.656 -7.140 -4.986 1.00 0.00 C ATOM 46 O GLU A 11 -9.207 -7.614 -3.992 1.00 0.00 O ATOM 47 CB GLU A 11 -9.972 -7.073 -7.113 1.00 0.00 C ATOM 48 CG GLU A 11 -10.193 -7.605 -8.520 1.00 0.00 C ATOM 49 CD GLU A 11 -8.989 -7.399 -9.422 1.00 0.00 C ATOM 50 OE1 GLU A 11 -7.989 -6.813 -8.956 1.00 0.00 O ATOM 51 OE2 GLU A 11 -9.050 -7.821 -10.596 1.00 0.00 O ATOM 0 H GLU A 11 -9.882 -9.431 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.912 -7.660 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.896 -7.180 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.753 -6.007 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.426 -8.669 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.059 -7.110 -8.959 1.00 0.00 H new ATOM 58 N LEU A 12 -7.878 -6.064 -4.937 1.00 0.00 N ATOM 59 CA LEU A 12 -7.620 -5.360 -3.685 1.00 0.00 C ATOM 60 C LEU A 12 -7.977 -3.878 -3.807 1.00 0.00 C ATOM 61 O LEU A 12 -7.543 -3.058 -3.001 1.00 0.00 O ATOM 62 CB LEU A 12 -6.147 -5.520 -3.290 1.00 0.00 C ATOM 63 CG LEU A 12 -5.770 -4.960 -1.916 1.00 0.00 C ATOM 64 CD1 LEU A 12 -6.610 -5.608 -0.827 1.00 0.00 C ATOM 65 CD2 LEU A 12 -4.288 -5.175 -1.646 1.00 0.00 C ATOM 0 H LEU A 12 -7.414 -5.660 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.248 -5.796 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.896 -6.580 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.531 -5.030 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.971 -3.889 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.328 -5.198 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.665 -5.407 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.440 -6.685 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.035 -4.772 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.065 -6.242 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.701 -4.666 -2.410 1.00 0.00 H new ATOM 77 N ILE A 13 -8.771 -3.542 -4.820 1.00 0.00 N ATOM 78 CA ILE A 13 -9.182 -2.160 -5.042 1.00 0.00 C ATOM 79 C ILE A 13 -10.492 -1.854 -4.320 1.00 0.00 C ATOM 80 O ILE A 13 -11.340 -2.730 -4.153 1.00 0.00 O ATOM 81 CB ILE A 13 -9.350 -1.862 -6.546 1.00 0.00 C ATOM 82 CG1 ILE A 13 -8.055 -2.179 -7.297 1.00 0.00 C ATOM 83 CG2 ILE A 13 -9.748 -0.408 -6.761 1.00 0.00 C ATOM 84 CD1 ILE A 13 -8.145 -1.942 -8.788 1.00 0.00 C ATOM 0 H ILE A 13 -9.142 -4.207 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.394 -1.523 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.144 -2.497 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.250 -1.569 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.787 -3.220 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.862 -0.216 -7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.692 -0.210 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.975 0.245 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.191 -2.188 -9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.928 -2.572 -9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.382 -0.895 -8.976 1.00 0.00 H new ATOM 96 N GLY A 14 -10.650 -0.604 -3.897 1.00 0.00 N ATOM 97 CA GLY A 14 -11.858 -0.201 -3.203 1.00 0.00 C ATOM 98 C GLY A 14 -11.718 -0.253 -1.691 1.00 0.00 C ATOM 99 O GLY A 14 -12.701 -0.098 -0.967 1.00 0.00 O ATOM 0 H GLY A 14 -9.961 0.138 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.122 0.813 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.680 -0.849 -3.509 1.00 0.00 H new ATOM 103 N LEU A 15 -10.496 -0.470 -1.212 1.00 0.00 N ATOM 104 CA LEU A 15 -10.242 -0.539 0.223 1.00 0.00 C ATOM 105 C LEU A 15 -9.447 0.674 0.696 1.00 0.00 C ATOM 106 O LEU A 15 -8.883 1.413 -0.109 1.00 0.00 O ATOM 107 CB LEU A 15 -9.485 -1.824 0.566 1.00 0.00 C ATOM 108 CG LEU A 15 -10.207 -3.119 0.192 1.00 0.00 C ATOM 109 CD1 LEU A 15 -9.370 -4.329 0.583 1.00 0.00 C ATOM 110 CD2 LEU A 15 -11.573 -3.178 0.857 1.00 0.00 C ATOM 0 H LEU A 15 -9.669 -0.601 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.204 -0.542 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.520 -1.805 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.284 -1.834 1.637 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.349 -3.134 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.900 -5.242 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.414 -4.294 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.197 -4.319 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.073 -4.106 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.453 -3.140 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.174 -2.330 0.529 1.00 0.00 H new ATOM 122 N SER A 16 -9.404 0.869 2.012 1.00 0.00 N ATOM 123 CA SER A 16 -8.674 1.988 2.597 1.00 0.00 C ATOM 124 C SER A 16 -7.334 1.519 3.152 1.00 0.00 C ATOM 125 O SER A 16 -7.144 0.332 3.415 1.00 0.00 O ATOM 126 CB SER A 16 -9.500 2.650 3.702 1.00 0.00 C ATOM 127 OG SER A 16 -8.803 3.739 4.277 1.00 0.00 O ATOM 0 H SER A 16 -9.866 0.266 2.692 1.00 0.00 H new ATOM 0 HA SER A 16 -8.490 2.723 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.449 2.997 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.735 1.917 4.473 1.00 0.00 H new ATOM 0 HG SER A 16 -9.353 4.146 4.979 1.00 0.00 H new ATOM 133 N VAL A 17 -6.398 2.449 3.316 1.00 0.00 N ATOM 134 CA VAL A 17 -5.075 2.109 3.825 1.00 0.00 C ATOM 135 C VAL A 17 -4.581 3.121 4.852 1.00 0.00 C ATOM 136 O VAL A 17 -4.897 4.308 4.776 1.00 0.00 O ATOM 137 CB VAL A 17 -4.042 2.043 2.687 1.00 0.00 C ATOM 138 CG1 VAL A 17 -2.733 1.448 3.183 1.00 0.00 C ATOM 139 CG2 VAL A 17 -4.588 1.255 1.510 1.00 0.00 C ATOM 0 H VAL A 17 -6.530 3.438 3.105 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.176 1.133 4.299 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.842 3.059 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.016 1.410 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.333 2.067 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.910 0.439 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.841 1.221 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.824 0.240 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.492 1.737 1.137 1.00 0.00 H new ATOM 149 N ARG A 18 -3.779 2.641 5.794 1.00 0.00 N ATOM 150 CA ARG A 18 -3.204 3.495 6.826 1.00 0.00 C ATOM 151 C ARG A 18 -1.705 3.226 6.938 1.00 0.00 C ATOM 152 O ARG A 18 -1.285 2.178 7.432 1.00 0.00 O ATOM 153 CB ARG A 18 -3.898 3.270 8.174 1.00 0.00 C ATOM 154 CG ARG A 18 -3.789 1.850 8.702 1.00 0.00 C ATOM 155 CD ARG A 18 -4.561 1.682 10.000 1.00 0.00 C ATOM 156 NE ARG A 18 -4.119 2.621 11.029 1.00 0.00 N ATOM 157 CZ ARG A 18 -2.907 2.601 11.584 1.00 0.00 C ATOM 158 NH1 ARG A 18 -2.029 1.664 11.250 1.00 0.00 N ATOM 159 NH2 ARG A 18 -2.579 3.516 12.486 1.00 0.00 N ATOM 0 H ARG A 18 -3.511 1.659 5.865 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.358 4.537 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.470 3.952 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.952 3.529 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.171 1.152 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.741 1.600 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.624 1.827 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.439 0.662 10.364 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.777 3.335 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.279 0.952 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.104 1.656 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.253 4.233 12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.652 3.503 12.912 1.00 0.00 H new ATOM 173 N ILE A 19 -0.901 4.165 6.450 1.00 0.00 N ATOM 174 CA ILE A 19 0.548 4.016 6.471 1.00 0.00 C ATOM 175 C ILE A 19 1.149 4.553 7.765 1.00 0.00 C ATOM 176 O ILE A 19 0.719 5.583 8.284 1.00 0.00 O ATOM 177 CB ILE A 19 1.215 4.733 5.271 1.00 0.00 C ATOM 178 CG1 ILE A 19 0.688 4.188 3.937 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.729 4.586 5.336 1.00 0.00 C ATOM 180 CD1 ILE A 19 -0.791 4.452 3.701 1.00 0.00 C ATOM 0 H ILE A 19 -1.229 5.037 6.035 1.00 0.00 H new ATOM 0 HA ILE A 19 0.746 2.946 6.401 1.00 0.00 H new ATOM 0 HB ILE A 19 0.960 5.791 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.260 4.633 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.865 3.113 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.181 5.096 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.098 5.028 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.993 3.529 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.086 4.036 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.375 3.983 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.974 5.527 3.703 1.00 0.00 H new ATOM 192 N ALA A 20 2.157 3.849 8.270 1.00 0.00 N ATOM 193 CA ALA A 20 2.838 4.249 9.494 1.00 0.00 C ATOM 194 C ALA A 20 4.251 4.721 9.190 1.00 0.00 C ATOM 195 O ALA A 20 4.573 5.900 9.330 1.00 0.00 O ATOM 196 CB ALA A 20 2.863 3.097 10.488 1.00 0.00 C ATOM 0 H ALA A 20 2.521 2.995 7.847 1.00 0.00 H new ATOM 0 HA ALA A 20 2.288 5.078 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.375 3.412 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.842 2.803 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.390 2.250 10.050 1.00 0.00 H new ATOM 202 N ARG A 21 5.081 3.786 8.760 1.00 0.00 N ATOM 203 CA ARG A 21 6.461 4.075 8.415 1.00 0.00 C ATOM 204 C ARG A 21 6.665 3.944 6.909 1.00 0.00 C ATOM 205 O ARG A 21 6.236 2.964 6.302 1.00 0.00 O ATOM 206 CB ARG A 21 7.420 3.138 9.158 1.00 0.00 C ATOM 207 CG ARG A 21 7.536 3.416 10.651 1.00 0.00 C ATOM 208 CD ARG A 21 6.239 3.126 11.393 1.00 0.00 C ATOM 209 NE ARG A 21 5.804 1.740 11.230 1.00 0.00 N ATOM 210 CZ ARG A 21 6.462 0.691 11.723 1.00 0.00 C ATOM 211 NH1 ARG A 21 7.563 0.866 12.445 1.00 0.00 N ATOM 212 NH2 ARG A 21 6.007 -0.536 11.508 1.00 0.00 N ATOM 0 H ARG A 21 4.817 2.808 8.641 1.00 0.00 H new ATOM 0 HA ARG A 21 6.680 5.099 8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.087 2.110 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.409 3.218 8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.337 2.807 11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.815 4.459 10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.374 3.340 12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.458 3.794 11.030 1.00 0.00 H new ATOM 0 HE ARG A 21 4.945 1.565 10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.910 1.808 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.061 0.058 12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.154 -0.676 10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.510 -1.340 11.885 1.00 0.00 H new ATOM 226 N SER A 22 7.311 4.938 6.310 1.00 0.00 N ATOM 227 CA SER A 22 7.556 4.929 4.872 1.00 0.00 C ATOM 228 C SER A 22 8.958 5.431 4.542 1.00 0.00 C ATOM 229 O SER A 22 9.624 6.044 5.376 1.00 0.00 O ATOM 230 CB SER A 22 6.513 5.784 4.154 1.00 0.00 C ATOM 231 OG SER A 22 5.204 5.295 4.385 1.00 0.00 O ATOM 0 H SER A 22 7.674 5.758 6.796 1.00 0.00 H new ATOM 0 HA SER A 22 7.477 3.898 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.585 6.816 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.718 5.790 3.084 1.00 0.00 H new ATOM 0 HG SER A 22 4.744 5.175 3.528 1.00 0.00 H new ATOM 237 N VAL A 23 9.400 5.163 3.315 1.00 0.00 N ATOM 238 CA VAL A 23 10.722 5.582 2.866 1.00 0.00 C ATOM 239 C VAL A 23 10.894 7.096 2.970 1.00 0.00 C ATOM 240 O VAL A 23 11.911 7.580 3.468 1.00 0.00 O ATOM 241 CB VAL A 23 10.987 5.141 1.411 1.00 0.00 C ATOM 242 CG1 VAL A 23 9.980 5.779 0.462 1.00 0.00 C ATOM 243 CG2 VAL A 23 12.412 5.483 0.998 1.00 0.00 C ATOM 0 H VAL A 23 8.859 4.656 2.614 1.00 0.00 H new ATOM 0 HA VAL A 23 11.444 5.097 3.523 1.00 0.00 H new ATOM 0 HB VAL A 23 10.867 4.059 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.185 5.455 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.972 5.475 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.062 6.864 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.579 5.164 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.564 6.560 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.114 4.970 1.655 1.00 0.00 H new ATOM 253 N HIS A 24 9.899 7.840 2.496 1.00 0.00 N ATOM 254 CA HIS A 24 9.954 9.297 2.538 1.00 0.00 C ATOM 255 C HIS A 24 9.368 9.818 3.850 1.00 0.00 C ATOM 256 O HIS A 24 8.253 9.463 4.230 1.00 0.00 O ATOM 257 CB HIS A 24 9.205 9.894 1.345 1.00 0.00 C ATOM 258 CG HIS A 24 9.427 11.364 1.161 1.00 0.00 C ATOM 259 ND1 HIS A 24 8.777 12.108 0.198 1.00 0.00 N ATOM 260 CD2 HIS A 24 10.238 12.229 1.815 1.00 0.00 C ATOM 261 CE1 HIS A 24 9.181 13.364 0.266 1.00 0.00 C ATOM 262 NE2 HIS A 24 10.067 13.463 1.240 1.00 0.00 N ATOM 0 H HIS A 24 9.049 7.460 2.080 1.00 0.00 H new ATOM 0 HA HIS A 24 10.998 9.604 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.513 9.374 0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 24 8.138 9.711 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 24 10.897 11.992 2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.844 14.172 -0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.547 14.319 1.520 1.00 0.00 H new ATOM 271 N ARG A 25 10.137 10.652 4.540 1.00 0.00 N ATOM 272 CA ARG A 25 9.715 11.221 5.816 1.00 0.00 C ATOM 273 C ARG A 25 8.455 12.078 5.670 1.00 0.00 C ATOM 274 O ARG A 25 7.819 12.428 6.666 1.00 0.00 O ATOM 275 CB ARG A 25 10.850 12.071 6.396 1.00 0.00 C ATOM 276 CG ARG A 25 10.555 12.645 7.773 1.00 0.00 C ATOM 277 CD ARG A 25 10.506 11.558 8.834 1.00 0.00 C ATOM 278 NE ARG A 25 11.769 10.828 8.927 1.00 0.00 N ATOM 279 CZ ARG A 25 12.027 9.902 9.847 1.00 0.00 C ATOM 280 NH1 ARG A 25 11.131 9.622 10.783 1.00 0.00 N ATOM 281 NH2 ARG A 25 13.190 9.265 9.838 1.00 0.00 N ATOM 0 H ARG A 25 11.063 10.951 4.235 1.00 0.00 H new ATOM 0 HA ARG A 25 9.480 10.396 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.752 11.462 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.062 12.891 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.321 13.375 8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.603 13.175 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.273 12.005 9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.700 10.861 8.603 1.00 0.00 H new ATOM 0 HE ARG A 25 12.497 11.041 8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.239 10.117 10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.333 8.911 11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.886 9.485 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.388 8.555 10.543 1.00 0.00 H new ATOM 295 N ASP A 26 8.111 12.436 4.437 1.00 0.00 N ATOM 296 CA ASP A 26 6.947 13.273 4.186 1.00 0.00 C ATOM 297 C ASP A 26 5.689 12.461 3.875 1.00 0.00 C ATOM 298 O ASP A 26 4.581 13.000 3.902 1.00 0.00 O ATOM 299 CB ASP A 26 7.234 14.237 3.034 1.00 0.00 C ATOM 300 CG ASP A 26 8.412 15.149 3.319 1.00 0.00 C ATOM 301 OD1 ASP A 26 9.007 15.029 4.411 1.00 0.00 O ATOM 302 OD2 ASP A 26 8.741 15.983 2.449 1.00 0.00 O ATOM 0 H ASP A 26 8.622 12.159 3.599 1.00 0.00 H new ATOM 0 HA ASP A 26 6.754 13.829 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.432 13.666 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.348 14.842 2.842 1.00 0.00 H new ATOM 307 N ILE A 27 5.849 11.178 3.568 1.00 0.00 N ATOM 308 CA ILE A 27 4.705 10.338 3.244 1.00 0.00 C ATOM 309 C ILE A 27 4.327 9.413 4.397 1.00 0.00 C ATOM 310 O ILE A 27 3.188 8.956 4.488 1.00 0.00 O ATOM 311 CB ILE A 27 4.955 9.490 1.979 1.00 0.00 C ATOM 312 CG1 ILE A 27 6.030 8.433 2.243 1.00 0.00 C ATOM 313 CG2 ILE A 27 5.353 10.384 0.813 1.00 0.00 C ATOM 314 CD1 ILE A 27 6.372 7.595 1.026 1.00 0.00 C ATOM 0 H ILE A 27 6.751 10.702 3.537 1.00 0.00 H new ATOM 0 HA ILE A 27 3.877 11.022 3.057 1.00 0.00 H new ATOM 0 HB ILE A 27 4.030 8.975 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.934 8.928 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.691 7.775 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.526 9.772 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.553 11.096 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.265 10.925 1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.140 6.868 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.480 7.072 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.742 8.242 0.231 1.00 0.00 H new ATOM 326 N GLN A 28 5.286 9.131 5.270 1.00 0.00 N ATOM 327 CA GLN A 28 5.043 8.250 6.407 1.00 0.00 C ATOM 328 C GLN A 28 4.015 8.853 7.360 1.00 0.00 C ATOM 329 O GLN A 28 3.891 10.074 7.465 1.00 0.00 O ATOM 330 CB GLN A 28 6.343 7.967 7.159 1.00 0.00 C ATOM 331 CG GLN A 28 6.946 9.192 7.824 1.00 0.00 C ATOM 332 CD GLN A 28 8.157 8.854 8.672 1.00 0.00 C ATOM 333 OE1 GLN A 28 9.174 8.384 8.162 1.00 0.00 O ATOM 334 NE2 GLN A 28 8.046 9.084 9.974 1.00 0.00 N ATOM 0 H GLN A 28 6.236 9.498 5.214 1.00 0.00 H new ATOM 0 HA GLN A 28 4.647 7.312 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.154 7.209 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.070 7.548 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.232 9.913 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.192 9.671 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.183 9.475 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.824 8.870 10.598 1.00 0.00 H new ATOM 343 N GLY A 29 3.285 7.986 8.057 1.00 0.00 N ATOM 344 CA GLY A 29 2.280 8.447 8.998 1.00 0.00 C ATOM 345 C GLY A 29 1.036 8.994 8.320 1.00 0.00 C ATOM 346 O GLY A 29 0.129 9.490 8.990 1.00 0.00 O ATOM 0 H GLY A 29 3.372 6.972 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.997 7.622 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.712 9.222 9.631 1.00 0.00 H new ATOM 350 N ILE A 30 0.987 8.908 6.994 1.00 0.00 N ATOM 351 CA ILE A 30 -0.152 9.401 6.242 1.00 0.00 C ATOM 352 C ILE A 30 -1.032 8.253 5.758 1.00 0.00 C ATOM 353 O ILE A 30 -0.545 7.297 5.158 1.00 0.00 O ATOM 354 CB ILE A 30 0.300 10.238 5.025 1.00 0.00 C ATOM 355 CG1 ILE A 30 1.209 11.383 5.479 1.00 0.00 C ATOM 356 CG2 ILE A 30 -0.905 10.783 4.269 1.00 0.00 C ATOM 357 CD1 ILE A 30 0.536 12.340 6.446 1.00 0.00 C ATOM 0 H ILE A 30 1.726 8.500 6.421 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.728 10.034 6.917 1.00 0.00 H new ATOM 0 HB ILE A 30 0.862 9.592 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.098 10.966 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.545 11.939 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.564 11.369 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.519 9.954 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.495 11.416 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.237 13.126 6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.337 12.785 5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.224 11.797 7.338 1.00 0.00 H new ATOM 369 N SER A 31 -2.332 8.357 6.015 1.00 0.00 N ATOM 370 CA SER A 31 -3.275 7.327 5.595 1.00 0.00 C ATOM 371 C SER A 31 -3.855 7.671 4.229 1.00 0.00 C ATOM 372 O SER A 31 -3.890 8.840 3.842 1.00 0.00 O ATOM 373 CB SER A 31 -4.402 7.184 6.621 1.00 0.00 C ATOM 374 OG SER A 31 -5.118 8.397 6.767 1.00 0.00 O ATOM 0 H SER A 31 -2.755 9.142 6.511 1.00 0.00 H new ATOM 0 HA SER A 31 -2.743 6.378 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.083 6.392 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.986 6.886 7.583 1.00 0.00 H new ATOM 0 HG SER A 31 -5.833 8.278 7.427 1.00 0.00 H new ATOM 380 N GLY A 32 -4.303 6.656 3.495 1.00 0.00 N ATOM 381 CA GLY A 32 -4.862 6.901 2.182 1.00 0.00 C ATOM 382 C GLY A 32 -5.649 5.726 1.644 1.00 0.00 C ATOM 383 O GLY A 32 -5.746 4.684 2.284 1.00 0.00 O ATOM 0 H GLY A 32 -4.288 5.678 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.511 7.775 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.055 7.139 1.489 1.00 0.00 H new ATOM 387 N ARG A 33 -6.211 5.910 0.457 1.00 0.00 N ATOM 388 CA ARG A 33 -7.005 4.884 -0.208 1.00 0.00 C ATOM 389 C ARG A 33 -6.178 4.130 -1.251 1.00 0.00 C ATOM 390 O ARG A 33 -5.017 4.435 -1.470 1.00 0.00 O ATOM 391 CB ARG A 33 -8.297 5.453 -0.776 1.00 0.00 C ATOM 392 CG ARG A 33 -9.355 5.733 0.282 1.00 0.00 C ATOM 393 CD ARG A 33 -8.784 6.460 1.493 1.00 0.00 C ATOM 394 NE ARG A 33 -9.826 6.828 2.448 1.00 0.00 N ATOM 395 CZ ARG A 33 -9.589 7.466 3.593 1.00 0.00 C ATOM 396 NH1 ARG A 33 -8.350 7.803 3.929 1.00 0.00 N ATOM 397 NH2 ARG A 33 -10.594 7.769 4.402 1.00 0.00 N ATOM 0 H ARG A 33 -6.129 6.777 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.301 4.151 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.074 6.377 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.702 4.753 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.153 6.332 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.802 4.792 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.049 5.823 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.260 7.357 1.164 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.791 6.582 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.573 7.574 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.175 8.291 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.548 7.514 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.413 8.258 5.279 1.00 0.00 H new ATOM 411 N VAL A 34 -6.752 3.080 -1.808 1.00 0.00 N ATOM 412 CA VAL A 34 -6.030 2.207 -2.754 1.00 0.00 C ATOM 413 C VAL A 34 -6.337 2.461 -4.228 1.00 0.00 C ATOM 414 O VAL A 34 -7.428 2.892 -4.572 1.00 0.00 O ATOM 415 CB VAL A 34 -6.345 0.722 -2.478 1.00 0.00 C ATOM 416 CG1 VAL A 34 -5.453 -0.183 -3.314 1.00 0.00 C ATOM 417 CG2 VAL A 34 -6.208 0.401 -1.002 1.00 0.00 C ATOM 0 H VAL A 34 -7.716 2.799 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.981 2.447 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.380 0.539 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.692 -1.225 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.618 0.020 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.408 0.006 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.436 -0.652 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.188 0.607 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.902 1.017 -0.430 1.00 0.00 H new ATOM 427 N VAL A 35 -5.369 2.111 -5.094 1.00 0.00 N ATOM 428 CA VAL A 35 -5.554 2.194 -6.548 1.00 0.00 C ATOM 429 C VAL A 35 -5.000 0.926 -7.178 1.00 0.00 C ATOM 430 O VAL A 35 -5.663 0.263 -7.975 1.00 0.00 O ATOM 431 CB VAL A 35 -4.836 3.363 -7.258 1.00 0.00 C ATOM 432 CG1 VAL A 35 -5.724 3.966 -8.334 1.00 0.00 C ATOM 433 CG2 VAL A 35 -4.354 4.414 -6.294 1.00 0.00 C ATOM 0 H VAL A 35 -4.452 1.768 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.626 2.344 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.947 2.951 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.199 4.787 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.969 3.203 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.642 4.340 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.857 5.212 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.204 4.824 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.652 3.967 -5.590 1.00 0.00 H new ATOM 443 N ASP A 36 -3.761 0.608 -6.796 1.00 0.00 N ATOM 444 CA ASP A 36 -3.069 -0.570 -7.295 1.00 0.00 C ATOM 445 C ASP A 36 -1.923 -0.964 -6.365 1.00 0.00 C ATOM 446 O ASP A 36 -1.517 -0.186 -5.499 1.00 0.00 O ATOM 447 CB ASP A 36 -2.527 -0.318 -8.705 1.00 0.00 C ATOM 448 CG ASP A 36 -3.623 0.000 -9.702 1.00 0.00 C ATOM 449 OD1 ASP A 36 -4.518 -0.850 -9.894 1.00 0.00 O ATOM 450 OD2 ASP A 36 -3.588 1.102 -10.291 1.00 0.00 O ATOM 0 H ASP A 36 -3.216 1.161 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.787 -1.389 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.817 0.509 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.978 -1.197 -9.042 1.00 0.00 H new ATOM 455 N GLU A 37 -1.389 -2.164 -6.568 1.00 0.00 N ATOM 456 CA GLU A 37 -0.273 -2.655 -5.766 1.00 0.00 C ATOM 457 C GLU A 37 0.886 -3.064 -6.670 1.00 0.00 C ATOM 458 O GLU A 37 0.736 -3.935 -7.527 1.00 0.00 O ATOM 459 CB GLU A 37 -0.706 -3.843 -4.901 1.00 0.00 C ATOM 460 CG GLU A 37 -1.821 -3.518 -3.919 1.00 0.00 C ATOM 461 CD GLU A 37 -3.172 -3.345 -4.591 1.00 0.00 C ATOM 462 OE1 GLU A 37 -3.272 -3.607 -5.808 1.00 0.00 O ATOM 463 OE2 GLU A 37 -4.133 -2.961 -3.893 1.00 0.00 O ATOM 0 H GLU A 37 -1.712 -2.816 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 37 0.055 -1.850 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.034 -4.653 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.158 -4.209 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.889 -4.315 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.569 -2.604 -3.381 1.00 0.00 H new ATOM 470 N THR A 38 2.042 -2.426 -6.488 1.00 0.00 N ATOM 471 CA THR A 38 3.213 -2.732 -7.306 1.00 0.00 C ATOM 472 C THR A 38 4.369 -3.254 -6.459 1.00 0.00 C ATOM 473 O THR A 38 4.458 -2.971 -5.263 1.00 0.00 O ATOM 474 CB THR A 38 3.655 -1.492 -8.083 1.00 0.00 C ATOM 475 OG1 THR A 38 2.603 -1.009 -8.900 1.00 0.00 O ATOM 476 CG2 THR A 38 4.850 -1.739 -8.978 1.00 0.00 C ATOM 0 H THR A 38 2.191 -1.700 -5.787 1.00 0.00 H new ATOM 0 HA THR A 38 2.929 -3.516 -8.008 1.00 0.00 H new ATOM 0 HB THR A 38 3.934 -0.762 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.906 -0.214 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.110 -0.818 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.696 -2.065 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.605 -2.512 -9.707 1.00 0.00 H new ATOM 484 N ARG A 39 5.254 -4.020 -7.099 1.00 0.00 N ATOM 485 CA ARG A 39 6.417 -4.606 -6.433 1.00 0.00 C ATOM 486 C ARG A 39 7.071 -3.632 -5.457 1.00 0.00 C ATOM 487 O ARG A 39 7.406 -3.999 -4.331 1.00 0.00 O ATOM 488 CB ARG A 39 7.446 -5.050 -7.475 1.00 0.00 C ATOM 489 CG ARG A 39 7.956 -3.910 -8.346 1.00 0.00 C ATOM 490 CD ARG A 39 8.965 -4.395 -9.375 1.00 0.00 C ATOM 491 NE ARG A 39 9.462 -3.300 -10.207 1.00 0.00 N ATOM 492 CZ ARG A 39 10.378 -3.448 -11.160 1.00 0.00 C ATOM 493 NH1 ARG A 39 10.915 -4.640 -11.397 1.00 0.00 N ATOM 494 NH2 ARG A 39 10.764 -2.401 -11.878 1.00 0.00 N ATOM 0 H ARG A 39 5.185 -4.251 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 39 6.066 -5.466 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.291 -5.514 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.000 -5.813 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.116 -3.437 -8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.416 -3.149 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.802 -4.873 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.503 -5.152 -10.009 1.00 0.00 H new ATOM 0 HE ARG A 39 9.083 -2.366 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.625 -5.448 -10.847 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.617 -4.747 -12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.358 -1.482 -11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.466 -2.515 -12.609 1.00 0.00 H new ATOM 508 N ASN A 40 7.256 -2.392 -5.895 1.00 0.00 N ATOM 509 CA ASN A 40 7.878 -1.377 -5.050 1.00 0.00 C ATOM 510 C ASN A 40 7.149 -0.041 -5.144 1.00 0.00 C ATOM 511 O ASN A 40 7.752 1.018 -4.961 1.00 0.00 O ATOM 512 CB ASN A 40 9.359 -1.202 -5.420 1.00 0.00 C ATOM 513 CG ASN A 40 9.607 -0.760 -6.861 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.759 -0.645 -7.281 1.00 0.00 O ATOM 515 ND2 ASN A 40 8.551 -0.500 -7.631 1.00 0.00 N ATOM 0 H ASN A 40 6.987 -2.066 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 40 7.808 -1.722 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.804 -0.469 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.876 -2.146 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.685 -0.197 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.608 -0.604 -7.256 1.00 0.00 H new ATOM 522 N THR A 41 5.853 -0.092 -5.425 1.00 0.00 N ATOM 523 CA THR A 41 5.056 1.125 -5.531 1.00 0.00 C ATOM 524 C THR A 41 3.619 0.870 -5.095 1.00 0.00 C ATOM 525 O THR A 41 2.988 -0.095 -5.526 1.00 0.00 O ATOM 526 CB THR A 41 5.091 1.667 -6.964 1.00 0.00 C ATOM 527 OG1 THR A 41 6.422 1.955 -7.356 1.00 0.00 O ATOM 528 CG2 THR A 41 4.279 2.931 -7.145 1.00 0.00 C ATOM 0 H THR A 41 5.334 -0.956 -5.583 1.00 0.00 H new ATOM 0 HA THR A 41 5.488 1.873 -4.866 1.00 0.00 H new ATOM 0 HB THR A 41 4.656 0.882 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.426 2.298 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.346 3.261 -8.182 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.237 2.733 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.668 3.710 -6.490 1.00 0.00 H new ATOM 536 N LEU A 42 3.113 1.740 -4.232 1.00 0.00 N ATOM 537 CA LEU A 42 1.753 1.609 -3.727 1.00 0.00 C ATOM 538 C LEU A 42 0.886 2.754 -4.238 1.00 0.00 C ATOM 539 O LEU A 42 1.022 3.893 -3.793 1.00 0.00 O ATOM 540 CB LEU A 42 1.766 1.595 -2.198 1.00 0.00 C ATOM 541 CG LEU A 42 0.463 1.152 -1.523 1.00 0.00 C ATOM 542 CD1 LEU A 42 -0.677 2.103 -1.863 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.112 -0.273 -1.934 1.00 0.00 C ATOM 0 H LEU A 42 3.624 2.544 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 42 1.332 0.670 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.567 0.935 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.013 2.597 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 42 0.612 1.177 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.590 1.767 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.428 3.107 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.829 2.117 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.816 -0.574 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.015 -0.319 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.915 -0.946 -1.634 1.00 0.00 H new ATOM 555 N ARG A 43 -0.008 2.445 -5.170 1.00 0.00 N ATOM 556 CA ARG A 43 -0.893 3.455 -5.730 1.00 0.00 C ATOM 557 C ARG A 43 -2.098 3.650 -4.809 1.00 0.00 C ATOM 558 O ARG A 43 -2.828 2.698 -4.522 1.00 0.00 O ATOM 559 CB ARG A 43 -1.340 3.044 -7.135 1.00 0.00 C ATOM 560 CG ARG A 43 -1.470 4.208 -8.106 1.00 0.00 C ATOM 561 CD ARG A 43 -1.932 3.742 -9.479 1.00 0.00 C ATOM 562 NE ARG A 43 -2.050 4.851 -10.424 1.00 0.00 N ATOM 563 CZ ARG A 43 -2.442 4.709 -11.688 1.00 0.00 C ATOM 564 NH1 ARG A 43 -2.751 3.510 -12.164 1.00 0.00 N ATOM 565 NH2 ARG A 43 -2.524 5.769 -12.479 1.00 0.00 N ATOM 0 H ARG A 43 -0.138 1.508 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.358 4.402 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.625 2.326 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.300 2.533 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.179 4.935 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.510 4.716 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.227 3.008 -9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.896 3.241 -9.386 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.818 5.788 -10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.689 2.690 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.051 3.408 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.287 6.693 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.824 5.660 -13.448 1.00 0.00 H new ATOM 579 N ILE A 44 -2.279 4.888 -4.337 1.00 0.00 N ATOM 580 CA ILE A 44 -3.369 5.231 -3.414 1.00 0.00 C ATOM 581 C ILE A 44 -4.516 5.986 -4.090 1.00 0.00 C ATOM 582 O ILE A 44 -4.356 7.130 -4.512 1.00 0.00 O ATOM 583 CB ILE A 44 -2.823 6.094 -2.244 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.804 5.294 -1.430 1.00 0.00 C ATOM 585 CG2 ILE A 44 -3.935 6.626 -1.342 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.218 6.064 -0.266 1.00 0.00 C ATOM 0 H ILE A 44 -1.679 5.676 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.768 4.285 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.331 6.962 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.282 4.390 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.995 4.976 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.499 7.223 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.614 7.246 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.487 5.790 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.504 5.434 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.710 6.954 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.017 6.359 0.414 1.00 0.00 H new ATOM 598 N GLU A 45 -5.686 5.339 -4.167 1.00 0.00 N ATOM 599 CA GLU A 45 -6.857 5.953 -4.760 1.00 0.00 C ATOM 600 C GLU A 45 -8.023 5.906 -3.792 1.00 0.00 C ATOM 601 O GLU A 45 -8.290 4.865 -3.150 1.00 0.00 O ATOM 602 CB GLU A 45 -7.240 5.295 -6.092 1.00 0.00 C ATOM 603 CG GLU A 45 -8.627 5.675 -6.593 1.00 0.00 C ATOM 604 CD GLU A 45 -8.973 5.011 -7.911 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.997 3.762 -7.957 1.00 0.00 O ATOM 606 OE2 GLU A 45 -9.222 5.735 -8.896 1.00 0.00 O ATOM 0 H GLU A 45 -5.836 4.391 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.609 6.993 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.504 5.571 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.190 4.212 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.369 5.396 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.683 6.757 -6.710 1.00 0.00 H new ATOM 613 N MET A 46 -8.691 7.061 -3.720 1.00 0.00 N ATOM 614 CA MET A 46 -9.849 7.284 -2.872 1.00 0.00 C ATOM 615 C MET A 46 -11.125 7.215 -3.703 1.00 0.00 C ATOM 616 O MET A 46 -11.219 7.847 -4.759 1.00 0.00 O ATOM 617 CB MET A 46 -9.749 8.664 -2.208 1.00 0.00 C ATOM 618 CG MET A 46 -8.665 8.781 -1.143 1.00 0.00 C ATOM 619 SD MET A 46 -6.995 8.487 -1.754 1.00 0.00 S ATOM 620 CE MET A 46 -6.675 10.019 -2.609 1.00 0.00 C ATOM 0 H MET A 46 -8.429 7.882 -4.266 1.00 0.00 H new ATOM 0 HA MET A 46 -9.877 6.511 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.563 9.411 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.711 8.905 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.709 9.778 -0.704 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.878 8.071 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.478 9.814 -3.661 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.544 10.672 -2.523 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.808 10.509 -2.166 1.00 0.00 H new ATOM 630 N ASP A 47 -12.101 6.446 -3.219 1.00 0.00 N ATOM 631 CA ASP A 47 -13.380 6.278 -3.910 1.00 0.00 C ATOM 632 C ASP A 47 -13.923 7.605 -4.433 1.00 0.00 C ATOM 633 O ASP A 47 -14.644 7.641 -5.429 1.00 0.00 O ATOM 634 CB ASP A 47 -14.404 5.630 -2.976 1.00 0.00 C ATOM 635 CG ASP A 47 -13.966 4.260 -2.493 1.00 0.00 C ATOM 636 OD1 ASP A 47 -12.867 3.814 -2.886 1.00 0.00 O ATOM 637 OD2 ASP A 47 -14.723 3.633 -1.723 1.00 0.00 O ATOM 0 H ASP A 47 -12.029 5.926 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.205 5.628 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.568 6.279 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.358 5.541 -3.495 1.00 0.00 H new ATOM 642 N ASP A 48 -13.569 8.687 -3.758 1.00 0.00 N ATOM 643 CA ASP A 48 -14.017 10.017 -4.155 1.00 0.00 C ATOM 644 C ASP A 48 -13.491 10.390 -5.542 1.00 0.00 C ATOM 645 O ASP A 48 -13.941 11.365 -6.144 1.00 0.00 O ATOM 646 CB ASP A 48 -13.564 11.057 -3.128 1.00 0.00 C ATOM 647 CG ASP A 48 -14.149 10.806 -1.751 1.00 0.00 C ATOM 648 OD1 ASP A 48 -14.907 9.824 -1.594 1.00 0.00 O ATOM 649 OD2 ASP A 48 -13.849 11.591 -0.827 1.00 0.00 O ATOM 0 H ASP A 48 -12.972 8.673 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.106 10.004 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.476 11.050 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.857 12.050 -3.468 1.00 0.00 H new ATOM 654 N GLY A 49 -12.536 9.609 -6.045 1.00 0.00 N ATOM 655 CA GLY A 49 -11.966 9.873 -7.352 1.00 0.00 C ATOM 656 C GLY A 49 -10.620 10.560 -7.268 1.00 0.00 C ATOM 657 O GLY A 49 -10.178 11.196 -8.225 1.00 0.00 O ATOM 0 H GLY A 49 -12.148 8.796 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.858 8.934 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.653 10.495 -7.926 1.00 0.00 H new ATOM 661 N ARG A 50 -9.963 10.422 -6.123 1.00 0.00 N ATOM 662 CA ARG A 50 -8.648 11.029 -5.916 1.00 0.00 C ATOM 663 C ARG A 50 -7.548 9.975 -5.985 1.00 0.00 C ATOM 664 O ARG A 50 -7.605 8.968 -5.287 1.00 0.00 O ATOM 665 CB ARG A 50 -8.594 11.754 -4.569 1.00 0.00 C ATOM 666 CG ARG A 50 -9.382 13.055 -4.532 1.00 0.00 C ATOM 667 CD ARG A 50 -10.864 12.826 -4.782 1.00 0.00 C ATOM 668 NE ARG A 50 -11.645 14.048 -4.604 1.00 0.00 N ATOM 669 CZ ARG A 50 -11.794 14.671 -3.438 1.00 0.00 C ATOM 670 NH1 ARG A 50 -11.257 14.168 -2.333 1.00 0.00 N ATOM 671 NH2 ARG A 50 -12.494 15.795 -3.372 1.00 0.00 N ATOM 0 H ARG A 50 -10.316 9.897 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.485 11.755 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.976 11.088 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.553 11.965 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.247 13.534 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.988 13.740 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.007 12.449 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.232 12.058 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.104 14.447 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.726 13.298 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.376 14.651 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.918 16.182 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.608 16.273 -2.478 1.00 0.00 H new ATOM 685 N GLU A 51 -6.553 10.200 -6.834 1.00 0.00 N ATOM 686 CA GLU A 51 -5.461 9.247 -6.981 1.00 0.00 C ATOM 687 C GLU A 51 -4.117 9.861 -6.584 1.00 0.00 C ATOM 688 O GLU A 51 -3.849 11.031 -6.860 1.00 0.00 O ATOM 689 CB GLU A 51 -5.398 8.756 -8.425 1.00 0.00 C ATOM 690 CG GLU A 51 -5.040 9.844 -9.424 1.00 0.00 C ATOM 691 CD GLU A 51 -4.988 9.333 -10.850 1.00 0.00 C ATOM 692 OE1 GLU A 51 -4.177 8.424 -11.127 1.00 0.00 O ATOM 693 OE2 GLU A 51 -5.759 9.841 -11.691 1.00 0.00 O ATOM 0 H GLU A 51 -6.480 11.027 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.655 8.409 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.663 7.954 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.363 8.328 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.772 10.649 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.072 10.271 -9.160 1.00 0.00 H new ATOM 700 N ILE A 52 -3.273 9.054 -5.942 1.00 0.00 N ATOM 701 CA ILE A 52 -1.951 9.496 -5.511 1.00 0.00 C ATOM 702 C ILE A 52 -1.031 8.297 -5.286 1.00 0.00 C ATOM 703 O ILE A 52 -1.410 7.337 -4.622 1.00 0.00 O ATOM 704 CB ILE A 52 -2.030 10.330 -4.217 1.00 0.00 C ATOM 705 CG1 ILE A 52 -0.647 10.871 -3.845 1.00 0.00 C ATOM 706 CG2 ILE A 52 -2.603 9.498 -3.077 1.00 0.00 C ATOM 707 CD1 ILE A 52 -0.037 11.757 -4.919 1.00 0.00 C ATOM 0 H ILE A 52 -3.485 8.084 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.544 10.123 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.696 11.175 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.724 11.438 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.023 10.033 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.651 10.104 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.605 9.160 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.964 8.633 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.942 12.106 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.072 11.187 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.687 12.614 -5.096 1.00 0.00 H new ATOM 719 N THR A 53 0.172 8.354 -5.849 1.00 0.00 N ATOM 720 CA THR A 53 1.131 7.259 -5.713 1.00 0.00 C ATOM 721 C THR A 53 1.936 7.368 -4.418 1.00 0.00 C ATOM 722 O THR A 53 2.145 8.462 -3.894 1.00 0.00 O ATOM 723 CB THR A 53 2.081 7.237 -6.912 1.00 0.00 C ATOM 724 OG1 THR A 53 3.016 6.179 -6.791 1.00 0.00 O ATOM 725 CG2 THR A 53 2.861 8.522 -7.082 1.00 0.00 C ATOM 0 H THR A 53 0.507 9.143 -6.402 1.00 0.00 H new ATOM 0 HA THR A 53 0.564 6.329 -5.679 1.00 0.00 H new ATOM 0 HB THR A 53 1.442 7.102 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.614 6.180 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.515 8.439 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.169 9.351 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.462 8.703 -6.191 1.00 0.00 H new ATOM 733 N VAL A 54 2.389 6.221 -3.914 1.00 0.00 N ATOM 734 CA VAL A 54 3.178 6.173 -2.685 1.00 0.00 C ATOM 735 C VAL A 54 4.115 4.958 -2.686 1.00 0.00 C ATOM 736 O VAL A 54 3.659 3.818 -2.730 1.00 0.00 O ATOM 737 CB VAL A 54 2.273 6.112 -1.437 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.109 6.106 -0.164 1.00 0.00 C ATOM 739 CG2 VAL A 54 1.294 7.279 -1.431 1.00 0.00 C ATOM 0 H VAL A 54 2.222 5.309 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 54 3.769 7.088 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 54 1.702 5.184 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.451 6.063 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.766 5.236 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.709 7.015 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.663 7.220 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.847 8.218 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.670 7.235 -2.323 1.00 0.00 H new ATOM 749 N PRO A 55 5.443 5.190 -2.644 1.00 0.00 N ATOM 750 CA PRO A 55 6.443 4.107 -2.651 1.00 0.00 C ATOM 751 C PRO A 55 6.232 3.087 -1.532 1.00 0.00 C ATOM 752 O PRO A 55 6.234 3.435 -0.351 1.00 0.00 O ATOM 753 CB PRO A 55 7.768 4.848 -2.444 1.00 0.00 C ATOM 754 CG PRO A 55 7.511 6.230 -2.933 1.00 0.00 C ATOM 755 CD PRO A 55 6.077 6.521 -2.601 1.00 0.00 C ATOM 0 HA PRO A 55 6.392 3.525 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.061 4.848 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.577 4.375 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.177 6.946 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.687 6.304 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.977 6.983 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.628 7.204 -3.322 1.00 0.00 H new ATOM 763 N LYS A 56 6.058 1.822 -1.915 1.00 0.00 N ATOM 764 CA LYS A 56 5.856 0.743 -0.954 1.00 0.00 C ATOM 765 C LYS A 56 7.145 -0.052 -0.721 1.00 0.00 C ATOM 766 O LYS A 56 7.203 -0.900 0.168 1.00 0.00 O ATOM 767 CB LYS A 56 4.731 -0.185 -1.438 1.00 0.00 C ATOM 768 CG LYS A 56 5.054 -1.668 -1.331 1.00 0.00 C ATOM 769 CD LYS A 56 3.911 -2.533 -1.838 1.00 0.00 C ATOM 770 CE LYS A 56 4.232 -4.014 -1.705 1.00 0.00 C ATOM 771 NZ LYS A 56 5.445 -4.393 -2.480 1.00 0.00 N ATOM 0 H LYS A 56 6.053 1.521 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 56 5.569 1.187 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.831 0.022 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.503 0.051 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.956 -1.886 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.267 -1.920 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.004 -2.304 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.709 -2.296 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.382 -4.260 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.382 -4.602 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.552 -5.428 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.348 -4.060 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.284 -3.956 -2.047 1.00 0.00 H new ATOM 785 N GLY A 57 8.168 0.210 -1.531 1.00 0.00 N ATOM 786 CA GLY A 57 9.426 -0.509 -1.397 1.00 0.00 C ATOM 787 C GLY A 57 9.950 -0.538 0.026 1.00 0.00 C ATOM 788 O GLY A 57 10.666 -1.464 0.410 1.00 0.00 O ATOM 0 H GLY A 57 8.149 0.906 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.291 -1.532 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.172 -0.046 -2.043 1.00 0.00 H new ATOM 792 N ILE A 58 9.591 0.469 0.810 1.00 0.00 N ATOM 793 CA ILE A 58 10.022 0.550 2.193 1.00 0.00 C ATOM 794 C ILE A 58 8.975 1.269 3.030 1.00 0.00 C ATOM 795 O ILE A 58 9.250 2.308 3.633 1.00 0.00 O ATOM 796 CB ILE A 58 11.376 1.283 2.346 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.428 0.707 1.389 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.862 1.197 3.789 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.257 1.160 -0.045 1.00 0.00 C ATOM 0 H ILE A 58 9.000 1.243 0.507 1.00 0.00 H new ATOM 0 HA ILE A 58 10.149 -0.475 2.543 1.00 0.00 H new ATOM 0 HB ILE A 58 11.226 2.331 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.420 0.996 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.382 -0.381 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.816 1.717 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.129 1.662 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.990 0.151 4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.036 0.713 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.279 0.847 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.333 2.246 -0.095 1.00 0.00 H new ATOM 811 N ALA A 59 7.763 0.723 3.056 1.00 0.00 N ATOM 812 CA ALA A 59 6.682 1.343 3.813 1.00 0.00 C ATOM 813 C ALA A 59 5.689 0.327 4.377 1.00 0.00 C ATOM 814 O ALA A 59 5.013 -0.377 3.630 1.00 0.00 O ATOM 815 CB ALA A 59 5.950 2.355 2.944 1.00 0.00 C ATOM 0 H ALA A 59 7.507 -0.136 2.569 1.00 0.00 H new ATOM 0 HA ALA A 59 7.142 1.845 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.144 2.813 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.647 3.127 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.533 1.851 2.072 1.00 0.00 H new ATOM 821 N VAL A 60 5.580 0.281 5.704 1.00 0.00 N ATOM 822 CA VAL A 60 4.640 -0.624 6.358 1.00 0.00 C ATOM 823 C VAL A 60 3.270 0.030 6.455 1.00 0.00 C ATOM 824 O VAL A 60 3.157 1.187 6.862 1.00 0.00 O ATOM 825 CB VAL A 60 5.110 -1.022 7.772 1.00 0.00 C ATOM 826 CG1 VAL A 60 5.260 0.208 8.656 1.00 0.00 C ATOM 827 CG2 VAL A 60 4.141 -2.019 8.396 1.00 0.00 C ATOM 0 H VAL A 60 6.128 0.857 6.343 1.00 0.00 H new ATOM 0 HA VAL A 60 4.585 -1.527 5.751 1.00 0.00 H new ATOM 0 HB VAL A 60 6.086 -1.499 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.592 -0.096 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.995 0.883 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.300 0.718 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.488 -2.289 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.151 -1.569 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.090 -2.914 7.775 1.00 0.00 H new ATOM 837 N PHE A 61 2.229 -0.702 6.078 1.00 0.00 N ATOM 838 CA PHE A 61 0.883 -0.160 6.129 1.00 0.00 C ATOM 839 C PHE A 61 -0.154 -1.264 6.225 1.00 0.00 C ATOM 840 O PHE A 61 0.100 -2.408 5.848 1.00 0.00 O ATOM 841 CB PHE A 61 0.622 0.729 4.913 1.00 0.00 C ATOM 842 CG PHE A 61 1.106 0.150 3.612 1.00 0.00 C ATOM 843 CD1 PHE A 61 0.680 -1.095 3.181 1.00 0.00 C ATOM 844 CD2 PHE A 61 1.996 0.860 2.822 1.00 0.00 C ATOM 845 CE1 PHE A 61 1.133 -1.622 1.985 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.452 0.339 1.626 1.00 0.00 C ATOM 847 CZ PHE A 61 2.019 -0.903 1.208 1.00 0.00 C ATOM 0 H PHE A 61 2.292 -1.661 5.738 1.00 0.00 H new ATOM 0 HA PHE A 61 0.797 0.449 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.449 0.918 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.105 1.693 5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.014 -1.661 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.337 1.832 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.794 -2.594 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.146 0.903 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.373 -1.312 0.273 1.00 0.00 H new ATOM 857 N HIS A 62 -1.319 -0.913 6.742 1.00 0.00 N ATOM 858 CA HIS A 62 -2.399 -1.872 6.901 1.00 0.00 C ATOM 859 C HIS A 62 -3.655 -1.376 6.195 1.00 0.00 C ATOM 860 O HIS A 62 -4.006 -0.201 6.288 1.00 0.00 O ATOM 861 CB HIS A 62 -2.689 -2.099 8.386 1.00 0.00 C ATOM 862 CG HIS A 62 -1.455 -2.212 9.229 1.00 0.00 C ATOM 863 ND1 HIS A 62 -0.398 -3.038 8.912 1.00 0.00 N ATOM 864 CD2 HIS A 62 -1.115 -1.601 10.389 1.00 0.00 C ATOM 865 CE1 HIS A 62 0.536 -2.931 9.840 1.00 0.00 C ATOM 866 NE2 HIS A 62 0.125 -2.064 10.747 1.00 0.00 N ATOM 0 H HIS A 62 -1.542 0.031 7.059 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.094 -2.817 6.452 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.299 -1.276 8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.279 -3.009 8.497 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.711 -0.882 10.932 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.476 -3.462 9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.645 -1.784 11.579 1.00 0.00 H new ATOM 875 N PHE A 63 -4.332 -2.272 5.488 1.00 0.00 N ATOM 876 CA PHE A 63 -5.548 -1.909 4.774 1.00 0.00 C ATOM 877 C PHE A 63 -6.770 -2.165 5.645 1.00 0.00 C ATOM 878 O PHE A 63 -6.779 -3.079 6.467 1.00 0.00 O ATOM 879 CB PHE A 63 -5.671 -2.697 3.468 1.00 0.00 C ATOM 880 CG PHE A 63 -4.612 -2.376 2.450 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.266 -2.449 2.777 1.00 0.00 C ATOM 882 CD2 PHE A 63 -4.965 -2.003 1.163 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.295 -2.156 1.840 1.00 0.00 C ATOM 884 CE2 PHE A 63 -3.997 -1.709 0.221 1.00 0.00 C ATOM 885 CZ PHE A 63 -2.660 -1.786 0.560 1.00 0.00 C ATOM 0 H PHE A 63 -4.061 -3.251 5.394 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.493 -0.847 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.630 -3.762 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.650 -2.502 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.974 -2.738 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.009 -1.941 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.250 -2.216 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.286 -1.419 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.902 -1.557 -0.174 1.00 0.00 H new ATOM 895 N ARG A 64 -7.800 -1.351 5.463 1.00 0.00 N ATOM 896 CA ARG A 64 -9.026 -1.494 6.236 1.00 0.00 C ATOM 897 C ARG A 64 -10.237 -1.443 5.310 1.00 0.00 C ATOM 898 O ARG A 64 -10.475 -0.439 4.635 1.00 0.00 O ATOM 899 CB ARG A 64 -9.113 -0.385 7.292 1.00 0.00 C ATOM 900 CG ARG A 64 -10.117 -0.652 8.406 1.00 0.00 C ATOM 901 CD ARG A 64 -11.544 -0.745 7.885 1.00 0.00 C ATOM 902 NE ARG A 64 -12.519 -0.817 8.973 1.00 0.00 N ATOM 903 CZ ARG A 64 -12.747 0.175 9.831 1.00 0.00 C ATOM 904 NH1 ARG A 64 -12.106 1.331 9.709 1.00 0.00 N ATOM 905 NH2 ARG A 64 -13.628 0.014 10.809 1.00 0.00 N ATOM 0 H ARG A 64 -7.812 -0.586 4.788 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.016 -2.459 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.127 -0.244 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.377 0.550 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.856 -1.581 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.054 0.144 9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.760 0.122 7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.642 -1.626 7.251 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.056 -1.678 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.433 1.464 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.286 2.086 10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.130 -0.869 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.804 0.773 11.467 1.00 0.00 H new ATOM 919 N THR A 65 -10.995 -2.533 5.278 1.00 0.00 N ATOM 920 CA THR A 65 -12.178 -2.615 4.433 1.00 0.00 C ATOM 921 C THR A 65 -13.425 -2.175 5.203 1.00 0.00 C ATOM 922 O THR A 65 -13.672 -2.651 6.312 1.00 0.00 O ATOM 923 CB THR A 65 -12.361 -4.043 3.920 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.199 -4.486 3.242 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.529 -4.197 2.971 1.00 0.00 C ATOM 0 H THR A 65 -10.810 -3.372 5.828 1.00 0.00 H new ATOM 0 HA THR A 65 -12.039 -1.945 3.584 1.00 0.00 H new ATOM 0 HB THR A 65 -12.555 -4.643 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.336 -5.402 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.600 -5.235 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.450 -3.912 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.380 -3.555 2.103 1.00 0.00 H new ATOM 933 N PRO A 66 -14.225 -1.254 4.627 1.00 0.00 N ATOM 934 CA PRO A 66 -15.444 -0.751 5.270 1.00 0.00 C ATOM 935 C PRO A 66 -16.309 -1.869 5.844 1.00 0.00 C ATOM 936 O PRO A 66 -17.045 -1.665 6.811 1.00 0.00 O ATOM 937 CB PRO A 66 -16.171 -0.042 4.129 1.00 0.00 C ATOM 938 CG PRO A 66 -15.085 0.413 3.218 1.00 0.00 C ATOM 939 CD PRO A 66 -14.003 -0.629 3.307 1.00 0.00 C ATOM 0 HA PRO A 66 -15.221 -0.108 6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.860 -0.715 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.759 0.799 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.449 0.510 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.709 1.392 3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.082 -1.358 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.011 -0.183 3.237 1.00 0.00 H new ATOM 947 N GLN A 67 -16.215 -3.051 5.246 1.00 0.00 N ATOM 948 CA GLN A 67 -16.988 -4.202 5.701 1.00 0.00 C ATOM 949 C GLN A 67 -16.522 -4.678 7.077 1.00 0.00 C ATOM 950 O GLN A 67 -17.190 -5.486 7.721 1.00 0.00 O ATOM 951 CB GLN A 67 -16.890 -5.343 4.687 1.00 0.00 C ATOM 952 CG GLN A 67 -17.664 -5.084 3.403 1.00 0.00 C ATOM 953 CD GLN A 67 -17.243 -3.802 2.709 1.00 0.00 C ATOM 954 OE1 GLN A 67 -16.097 -3.657 2.289 1.00 0.00 O ATOM 955 NE2 GLN A 67 -18.175 -2.863 2.590 1.00 0.00 N ATOM 0 H GLN A 67 -15.612 -3.238 4.445 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.029 -3.891 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.841 -5.511 4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.261 -6.259 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.521 -5.924 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.729 -5.036 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.114 -3.027 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.952 -1.978 2.135 1.00 0.00 H new ATOM 964 N GLY A 68 -15.377 -4.168 7.529 1.00 0.00 N ATOM 965 CA GLY A 68 -14.858 -4.551 8.827 1.00 0.00 C ATOM 966 C GLY A 68 -13.712 -5.540 8.736 1.00 0.00 C ATOM 967 O GLY A 68 -13.704 -6.554 9.434 1.00 0.00 O ATOM 0 H GLY A 68 -14.803 -3.498 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.521 -3.659 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.662 -4.988 9.420 1.00 0.00 H new ATOM 971 N GLU A 69 -12.737 -5.245 7.881 1.00 0.00 N ATOM 972 CA GLU A 69 -11.581 -6.121 7.718 1.00 0.00 C ATOM 973 C GLU A 69 -10.281 -5.345 7.912 1.00 0.00 C ATOM 974 O GLU A 69 -10.188 -4.170 7.560 1.00 0.00 O ATOM 975 CB GLU A 69 -11.593 -6.778 6.335 1.00 0.00 C ATOM 976 CG GLU A 69 -12.861 -7.567 6.048 1.00 0.00 C ATOM 977 CD GLU A 69 -12.853 -8.210 4.675 1.00 0.00 C ATOM 978 OE1 GLU A 69 -11.852 -8.043 3.946 1.00 0.00 O ATOM 979 OE2 GLU A 69 -13.847 -8.884 4.328 1.00 0.00 O ATOM 0 H GLU A 69 -12.724 -4.411 7.294 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.640 -6.899 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.475 -6.006 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.734 -7.443 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.982 -8.341 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.722 -6.904 6.129 1.00 0.00 H new ATOM 986 N LEU A 70 -9.280 -6.012 8.480 1.00 0.00 N ATOM 987 CA LEU A 70 -7.985 -5.383 8.726 1.00 0.00 C ATOM 988 C LEU A 70 -6.858 -6.222 8.130 1.00 0.00 C ATOM 989 O LEU A 70 -6.563 -7.316 8.610 1.00 0.00 O ATOM 990 CB LEU A 70 -7.771 -5.192 10.232 1.00 0.00 C ATOM 991 CG LEU A 70 -6.511 -4.416 10.631 1.00 0.00 C ATOM 992 CD1 LEU A 70 -5.255 -5.212 10.300 1.00 0.00 C ATOM 993 CD2 LEU A 70 -6.481 -3.061 9.939 1.00 0.00 C ATOM 0 H LEU A 70 -9.340 -6.986 8.778 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.975 -4.406 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.639 -4.675 10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.735 -6.174 10.703 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.537 -4.256 11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.374 -4.640 10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.270 -6.158 10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.221 -5.408 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.580 -2.522 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.482 -3.204 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.359 -2.485 10.229 1.00 0.00 H new ATOM 1005 N VAL A 71 -6.230 -5.700 7.079 1.00 0.00 N ATOM 1006 CA VAL A 71 -5.135 -6.402 6.417 1.00 0.00 C ATOM 1007 C VAL A 71 -3.800 -5.703 6.676 1.00 0.00 C ATOM 1008 O VAL A 71 -3.728 -4.475 6.716 1.00 0.00 O ATOM 1009 CB VAL A 71 -5.372 -6.503 4.897 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -4.299 -7.357 4.235 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -6.759 -7.061 4.607 1.00 0.00 C ATOM 0 H VAL A 71 -6.461 -4.795 6.669 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.099 -7.408 6.835 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.311 -5.499 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.488 -7.413 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.320 -6.910 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.319 -8.361 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.907 -7.125 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.850 -8.055 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.513 -6.403 5.039 1.00 0.00 H new ATOM 1021 N GLU A 72 -2.747 -6.497 6.857 1.00 0.00 N ATOM 1022 CA GLU A 72 -1.412 -5.963 7.120 1.00 0.00 C ATOM 1023 C GLU A 72 -0.468 -6.229 5.951 1.00 0.00 C ATOM 1024 O GLU A 72 -0.372 -7.358 5.466 1.00 0.00 O ATOM 1025 CB GLU A 72 -0.847 -6.585 8.402 1.00 0.00 C ATOM 1026 CG GLU A 72 0.597 -6.200 8.690 1.00 0.00 C ATOM 1027 CD GLU A 72 1.117 -6.813 9.976 1.00 0.00 C ATOM 1028 OE1 GLU A 72 0.538 -6.531 11.046 1.00 0.00 O ATOM 1029 OE2 GLU A 72 2.106 -7.575 9.912 1.00 0.00 O ATOM 0 H GLU A 72 -2.793 -7.516 6.826 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.496 -4.884 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.468 -6.283 9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.916 -7.670 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.227 -6.518 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.675 -5.115 8.752 1.00 0.00 H new ATOM 1036 N ILE A 73 0.239 -5.190 5.506 1.00 0.00 N ATOM 1037 CA ILE A 73 1.183 -5.329 4.404 1.00 0.00 C ATOM 1038 C ILE A 73 2.482 -4.604 4.726 1.00 0.00 C ATOM 1039 O ILE A 73 2.523 -3.375 4.771 1.00 0.00 O ATOM 1040 CB ILE A 73 0.617 -4.781 3.075 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -0.676 -5.506 2.691 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.650 -4.918 1.964 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.855 -5.174 3.586 1.00 0.00 C ATOM 0 H ILE A 73 0.174 -4.248 5.892 1.00 0.00 H new ATOM 0 HA ILE A 73 1.368 -6.396 4.280 1.00 0.00 H new ATOM 0 HB ILE A 73 0.387 -3.725 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.931 -5.253 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.501 -6.581 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.237 -4.528 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.545 -4.355 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.907 -5.969 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.733 -5.726 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.622 -5.453 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.059 -4.104 3.538 1.00 0.00 H new ATOM 1055 N ASP A 74 3.540 -5.371 4.956 1.00 0.00 N ATOM 1056 CA ASP A 74 4.835 -4.792 5.281 1.00 0.00 C ATOM 1057 C ASP A 74 5.590 -4.385 4.020 1.00 0.00 C ATOM 1058 O ASP A 74 6.217 -5.212 3.358 1.00 0.00 O ATOM 1059 CB ASP A 74 5.665 -5.779 6.099 1.00 0.00 C ATOM 1060 CG ASP A 74 5.027 -6.102 7.437 1.00 0.00 C ATOM 1061 OD1 ASP A 74 4.824 -5.165 8.237 1.00 0.00 O ATOM 1062 OD2 ASP A 74 4.730 -7.290 7.684 1.00 0.00 O ATOM 0 H ASP A 74 3.526 -6.390 4.924 1.00 0.00 H new ATOM 0 HA ASP A 74 4.663 -3.894 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.795 -6.700 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.659 -5.364 6.264 1.00 0.00 H new ATOM 1067 N GLY A 75 5.535 -3.098 3.708 1.00 0.00 N ATOM 1068 CA GLY A 75 6.220 -2.573 2.543 1.00 0.00 C ATOM 1069 C GLY A 75 7.709 -2.414 2.777 1.00 0.00 C ATOM 1070 O GLY A 75 8.463 -2.160 1.842 1.00 0.00 O ATOM 0 H GLY A 75 5.022 -2.401 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.056 -3.240 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.791 -1.607 2.276 1.00 0.00 H new ATOM 1074 N ARG A 76 8.129 -2.513 4.035 1.00 0.00 N ATOM 1075 CA ARG A 76 9.530 -2.351 4.383 1.00 0.00 C ATOM 1076 C ARG A 76 10.260 -3.688 4.435 1.00 0.00 C ATOM 1077 O ARG A 76 11.153 -3.956 3.632 1.00 0.00 O ATOM 1078 CB ARG A 76 9.660 -1.635 5.730 1.00 0.00 C ATOM 1079 CG ARG A 76 11.098 -1.412 6.168 1.00 0.00 C ATOM 1080 CD ARG A 76 11.167 -0.736 7.528 1.00 0.00 C ATOM 1081 NE ARG A 76 10.527 -1.536 8.570 1.00 0.00 N ATOM 1082 CZ ARG A 76 10.458 -1.171 9.848 1.00 0.00 C ATOM 1083 NH1 ARG A 76 10.987 -0.021 10.245 1.00 0.00 N ATOM 1084 NH2 ARG A 76 9.858 -1.958 10.730 1.00 0.00 N ATOM 0 H ARG A 76 7.516 -2.705 4.828 1.00 0.00 H new ATOM 0 HA ARG A 76 9.994 -1.748 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.155 -0.671 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.144 -2.218 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.620 -2.368 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.614 -0.799 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.210 -0.562 7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.685 0.240 7.473 1.00 0.00 H new ATOM 0 HE ARG A 76 10.108 -2.427 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.449 0.588 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.932 0.254 11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.449 -2.843 10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.805 -1.679 11.710 1.00 0.00 H new ATOM 1098 N ALA A 77 9.886 -4.506 5.402 1.00 0.00 N ATOM 1099 CA ALA A 77 10.509 -5.808 5.601 1.00 0.00 C ATOM 1100 C ALA A 77 9.981 -6.875 4.639 1.00 0.00 C ATOM 1101 O ALA A 77 10.546 -7.964 4.552 1.00 0.00 O ATOM 1102 CB ALA A 77 10.316 -6.261 7.039 1.00 0.00 C ATOM 0 H ALA A 77 9.146 -4.291 6.070 1.00 0.00 H new ATOM 0 HA ALA A 77 11.571 -5.688 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.785 -7.235 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.774 -5.537 7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.251 -6.336 7.257 1.00 0.00 H new ATOM 1108 N LEU A 78 8.898 -6.575 3.925 1.00 0.00 N ATOM 1109 CA LEU A 78 8.323 -7.542 2.992 1.00 0.00 C ATOM 1110 C LEU A 78 8.064 -6.922 1.623 1.00 0.00 C ATOM 1111 O LEU A 78 7.002 -7.117 1.034 1.00 0.00 O ATOM 1112 CB LEU A 78 7.021 -8.128 3.550 1.00 0.00 C ATOM 1113 CG LEU A 78 7.175 -9.015 4.789 1.00 0.00 C ATOM 1114 CD1 LEU A 78 8.091 -10.192 4.492 1.00 0.00 C ATOM 1115 CD2 LEU A 78 7.701 -8.212 5.971 1.00 0.00 C ATOM 0 H LEU A 78 8.406 -5.683 3.973 1.00 0.00 H new ATOM 0 HA LEU A 78 9.053 -8.342 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.348 -7.306 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.540 -8.711 2.765 1.00 0.00 H new ATOM 0 HG LEU A 78 6.191 -9.401 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.189 -10.811 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.668 -10.787 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.073 -9.823 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.801 -8.865 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.674 -7.790 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.004 -7.406 6.202 1.00 0.00 H new ATOM 1127 N VAL A 79 9.044 -6.183 1.111 1.00 0.00 N ATOM 1128 CA VAL A 79 8.911 -5.554 -0.195 1.00 0.00 C ATOM 1129 C VAL A 79 8.790 -6.612 -1.290 1.00 0.00 C ATOM 1130 O VAL A 79 9.782 -7.211 -1.706 1.00 0.00 O ATOM 1131 CB VAL A 79 10.109 -4.630 -0.505 1.00 0.00 C ATOM 1132 CG1 VAL A 79 11.412 -5.412 -0.488 1.00 0.00 C ATOM 1133 CG2 VAL A 79 9.916 -3.929 -1.841 1.00 0.00 C ATOM 0 H VAL A 79 9.933 -6.007 1.579 1.00 0.00 H new ATOM 0 HA VAL A 79 8.005 -4.949 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 79 10.162 -3.869 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.242 -4.741 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.557 -5.856 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.373 -6.200 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.771 -3.283 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.831 -4.673 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.007 -3.328 -1.809 1.00 0.00 H new ATOM 1143 N ALA A 80 7.561 -6.845 -1.745 1.00 0.00 N ATOM 1144 CA ALA A 80 7.298 -7.838 -2.783 1.00 0.00 C ATOM 1145 C ALA A 80 8.198 -7.637 -3.999 1.00 0.00 C ATOM 1146 O ALA A 80 8.316 -6.528 -4.521 1.00 0.00 O ATOM 1147 CB ALA A 80 5.836 -7.789 -3.198 1.00 0.00 C ATOM 0 H ALA A 80 6.730 -6.358 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 80 7.521 -8.820 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.652 -8.534 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.205 -8.000 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.601 -6.798 -3.585 1.00 0.00 H new ATOM 1153 N ARG A 81 8.824 -8.722 -4.450 1.00 0.00 N ATOM 1154 CA ARG A 81 9.702 -8.674 -5.608 1.00 0.00 C ATOM 1155 C ARG A 81 9.155 -9.558 -6.729 1.00 0.00 C ATOM 1156 O ARG A 81 8.697 -10.673 -6.477 1.00 0.00 O ATOM 1157 CB ARG A 81 11.122 -9.115 -5.233 1.00 0.00 C ATOM 1158 CG ARG A 81 11.207 -10.526 -4.664 1.00 0.00 C ATOM 1159 CD ARG A 81 10.964 -10.552 -3.160 1.00 0.00 C ATOM 1160 NE ARG A 81 11.026 -11.911 -2.625 1.00 0.00 N ATOM 1161 CZ ARG A 81 10.805 -12.216 -1.348 1.00 0.00 C ATOM 1162 NH1 ARG A 81 10.498 -11.265 -0.476 1.00 0.00 N ATOM 1163 NH2 ARG A 81 10.887 -13.476 -0.944 1.00 0.00 N ATOM 0 H ARG A 81 8.736 -9.646 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 81 9.743 -7.643 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.755 -9.053 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.527 -8.415 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.474 -11.162 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.190 -10.945 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.707 -9.930 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.988 -10.119 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 81 11.252 -12.670 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.430 -10.295 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.330 -11.504 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.119 -14.211 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.718 -13.710 0.034 1.00 0.00 H new ATOM 1177 N PRO A 82 9.192 -9.078 -7.983 1.00 0.00 N ATOM 1178 CA PRO A 82 8.692 -9.839 -9.132 1.00 0.00 C ATOM 1179 C PRO A 82 9.622 -10.981 -9.525 1.00 0.00 C ATOM 1180 O PRO A 82 10.732 -11.097 -9.008 1.00 0.00 O ATOM 1181 CB PRO A 82 8.629 -8.795 -10.246 1.00 0.00 C ATOM 1182 CG PRO A 82 9.681 -7.804 -9.888 1.00 0.00 C ATOM 1183 CD PRO A 82 9.717 -7.758 -8.384 1.00 0.00 C ATOM 0 HA PRO A 82 7.735 -10.315 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.821 -9.243 -11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.645 -8.328 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.649 -8.100 -10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.449 -6.823 -10.302 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.729 -7.599 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.103 -6.947 -7.993 1.00 0.00 H new ATOM 1191 N GLU A 83 9.162 -11.822 -10.445 1.00 0.00 N ATOM 1192 CA GLU A 83 9.953 -12.955 -10.913 1.00 0.00 C ATOM 1193 C GLU A 83 11.126 -12.489 -11.770 1.00 0.00 C ATOM 1194 O GLU A 83 12.103 -13.216 -11.947 1.00 0.00 O ATOM 1195 CB GLU A 83 9.077 -13.921 -11.711 1.00 0.00 C ATOM 1196 CG GLU A 83 7.912 -14.488 -10.914 1.00 0.00 C ATOM 1197 CD GLU A 83 7.063 -15.451 -11.723 1.00 0.00 C ATOM 1198 OE1 GLU A 83 7.385 -15.679 -12.908 1.00 0.00 O ATOM 1199 OE2 GLU A 83 6.074 -15.978 -11.170 1.00 0.00 O ATOM 0 H GLU A 83 8.244 -11.740 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 83 10.350 -13.471 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.689 -13.405 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.694 -14.744 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.296 -15.001 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.287 -13.669 -10.559 1.00 0.00 H new ATOM 1206 N GLU A 84 11.022 -11.275 -12.300 1.00 0.00 N ATOM 1207 CA GLU A 84 12.074 -10.714 -13.139 1.00 0.00 C ATOM 1208 C GLU A 84 13.203 -10.140 -12.289 1.00 0.00 C ATOM 1209 O GLU A 84 14.362 -10.131 -12.702 1.00 0.00 O ATOM 1210 CB GLU A 84 11.502 -9.625 -14.048 1.00 0.00 C ATOM 1211 CG GLU A 84 10.407 -10.122 -14.980 1.00 0.00 C ATOM 1212 CD GLU A 84 10.889 -11.211 -15.916 1.00 0.00 C ATOM 1213 OE1 GLU A 84 11.821 -10.948 -16.705 1.00 0.00 O ATOM 1214 OE2 GLU A 84 10.334 -12.328 -15.863 1.00 0.00 O ATOM 0 H GLU A 84 10.219 -10.661 -12.163 1.00 0.00 H new ATOM 0 HA GLU A 84 12.480 -11.517 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.104 -8.820 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.310 -9.200 -14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.574 -10.500 -14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.027 -9.286 -15.567 1.00 0.00 H new ATOM 1221 N ARG A 85 12.857 -9.659 -11.098 1.00 0.00 N ATOM 1222 CA ARG A 85 13.844 -9.082 -10.193 1.00 0.00 C ATOM 1223 C ARG A 85 13.502 -9.415 -8.744 1.00 0.00 C ATOM 1224 O ARG A 85 12.659 -8.760 -8.129 1.00 0.00 O ATOM 1225 CB ARG A 85 13.911 -7.562 -10.389 1.00 0.00 C ATOM 1226 CG ARG A 85 15.133 -6.900 -9.762 1.00 0.00 C ATOM 1227 CD ARG A 85 15.128 -7.000 -8.243 1.00 0.00 C ATOM 1228 NE ARG A 85 13.891 -6.482 -7.662 1.00 0.00 N ATOM 1229 CZ ARG A 85 13.526 -5.202 -7.708 1.00 0.00 C ATOM 1230 NH1 ARG A 85 14.321 -4.296 -8.264 1.00 0.00 N ATOM 1231 NH2 ARG A 85 12.368 -4.825 -7.184 1.00 0.00 N ATOM 0 H ARG A 85 11.902 -9.658 -10.739 1.00 0.00 H new ATOM 0 HA ARG A 85 14.820 -9.511 -10.422 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.903 -7.345 -11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.012 -7.113 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.037 -7.368 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.165 -5.851 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.258 -8.041 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.977 -6.446 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 85 13.270 -7.141 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.218 -4.578 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.035 -3.317 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.758 -5.515 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.088 -3.845 -7.219 1.00 0.00 H new ATOM 1245 N ILE A 86 14.163 -10.433 -8.204 1.00 0.00 N ATOM 1246 CA ILE A 86 13.935 -10.855 -6.827 1.00 0.00 C ATOM 1247 C ILE A 86 15.000 -10.269 -5.902 1.00 0.00 C ATOM 1248 O ILE A 86 16.197 -10.404 -6.156 1.00 0.00 O ATOM 1249 CB ILE A 86 13.950 -12.394 -6.708 1.00 0.00 C ATOM 1250 CG1 ILE A 86 12.908 -13.006 -7.648 1.00 0.00 C ATOM 1251 CG2 ILE A 86 13.691 -12.829 -5.270 1.00 0.00 C ATOM 1252 CD1 ILE A 86 12.876 -14.518 -7.614 1.00 0.00 C ATOM 0 H ILE A 86 14.864 -10.983 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 86 12.953 -10.487 -6.529 1.00 0.00 H new ATOM 0 HB ILE A 86 14.938 -12.752 -6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 86 11.922 -12.624 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.113 -12.678 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.706 -13.917 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 86 14.465 -12.419 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.716 -12.462 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.115 -14.881 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 86 13.850 -14.909 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 86 12.640 -14.854 -6.604 1.00 0.00 H new TER 1264 ILE A 86