USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.333 USER MOD Single : A 5 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.38) USER MOD Single : A 9 THR OG1 : rot -78:sc= 1.17 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 178:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.573) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.177 K(o=0.18,f=-1.8!) USER MOD Single : A 43 THR OG1 : rot 105:sc= 0.541 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.685 F(o=-2.2,f=-0.69) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.379 (180deg=-1.53!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.569 -13.113 0.279 1.00 0.00 N ATOM 9 CA SER A 2 -2.210 -12.606 0.069 1.00 0.00 C ATOM 10 C SER A 2 -2.196 -11.076 0.083 1.00 0.00 C ATOM 11 O SER A 2 -1.342 -10.473 0.733 1.00 0.00 O ATOM 12 CB SER A 2 -1.716 -13.139 -1.277 1.00 0.00 C ATOM 13 OG SER A 2 -0.380 -12.813 -1.597 1.00 0.00 O ATOM 0 HA SER A 2 -1.554 -12.943 0.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.820 -14.224 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.366 -12.754 -2.063 1.00 0.00 H new ATOM 0 HG SER A 2 -0.150 -13.194 -2.470 1.00 0.00 H new ATOM 19 N GLU A 3 -3.110 -10.447 -0.659 1.00 0.00 N ATOM 20 CA GLU A 3 -3.195 -8.991 -0.789 1.00 0.00 C ATOM 21 C GLU A 3 -3.548 -8.390 0.571 1.00 0.00 C ATOM 22 O GLU A 3 -2.841 -7.532 1.090 1.00 0.00 O ATOM 23 CB GLU A 3 -4.214 -8.552 -1.862 1.00 0.00 C ATOM 24 CG GLU A 3 -4.069 -9.221 -3.230 1.00 0.00 C ATOM 25 CD GLU A 3 -4.840 -10.541 -3.273 1.00 0.00 C ATOM 26 OE1 GLU A 3 -6.064 -10.554 -3.514 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.255 -11.600 -2.951 1.00 0.00 O ATOM 0 H GLU A 3 -3.823 -10.943 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.224 -8.622 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.218 -8.750 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.131 -7.473 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.439 -8.553 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.015 -9.403 -3.441 1.00 0.00 H new ATOM 34 N GLU A 4 -4.599 -8.924 1.187 1.00 0.00 N ATOM 35 CA GLU A 4 -5.085 -8.557 2.515 1.00 0.00 C ATOM 36 C GLU A 4 -3.945 -8.688 3.534 1.00 0.00 C ATOM 37 O GLU A 4 -3.722 -7.826 4.383 1.00 0.00 O ATOM 38 CB GLU A 4 -6.255 -9.495 2.879 1.00 0.00 C ATOM 39 CG GLU A 4 -7.393 -9.503 1.842 1.00 0.00 C ATOM 40 CD GLU A 4 -8.379 -10.646 2.085 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.011 -11.829 1.859 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.524 -10.396 2.507 1.00 0.00 O ATOM 0 H GLU A 4 -5.161 -9.658 0.755 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.432 -7.524 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.873 -10.509 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.660 -9.197 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.924 -8.552 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.971 -9.594 0.841 1.00 0.00 H new ATOM 49 N HIS A 5 -3.171 -9.767 3.407 1.00 0.00 N ATOM 50 CA HIS A 5 -2.066 -10.070 4.298 1.00 0.00 C ATOM 51 C HIS A 5 -0.893 -9.112 4.086 1.00 0.00 C ATOM 52 O HIS A 5 -0.071 -8.941 4.986 1.00 0.00 O ATOM 53 CB HIS A 5 -1.658 -11.527 4.085 1.00 0.00 C ATOM 54 CG HIS A 5 -0.543 -12.003 4.981 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.682 -12.735 6.136 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.792 -11.779 4.802 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.546 -12.995 6.611 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.486 -12.466 5.803 1.00 0.00 N ATOM 0 H HIS A 5 -3.301 -10.460 2.670 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.382 -9.933 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.530 -12.162 4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.353 -11.657 3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.235 -11.176 4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.752 -13.550 7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.498 -12.550 5.902 1.00 0.00 H new ATOM 66 N PHE A 6 -0.775 -8.475 2.922 1.00 0.00 N ATOM 67 CA PHE A 6 0.261 -7.484 2.700 1.00 0.00 C ATOM 68 C PHE A 6 -0.018 -6.232 3.529 1.00 0.00 C ATOM 69 O PHE A 6 0.893 -5.698 4.161 1.00 0.00 O ATOM 70 CB PHE A 6 0.396 -7.162 1.215 1.00 0.00 C ATOM 71 CG PHE A 6 1.654 -6.369 0.950 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.909 -6.997 1.024 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.574 -4.983 0.747 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.085 -6.233 0.910 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.748 -4.212 0.640 1.00 0.00 C ATOM 76 CZ PHE A 6 4.005 -4.837 0.729 1.00 0.00 C ATOM 0 H PHE A 6 -1.387 -8.632 2.122 1.00 0.00 H new ATOM 0 HA PHE A 6 1.216 -7.895 3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.415 -8.087 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.473 -6.596 0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.971 -8.066 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.608 -4.505 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.050 -6.716 0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.683 -3.144 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.908 -4.248 0.659 1.00 0.00 H new ATOM 86 N VAL A 7 -1.277 -5.787 3.570 1.00 0.00 N ATOM 87 CA VAL A 7 -1.690 -4.704 4.461 1.00 0.00 C ATOM 88 C VAL A 7 -1.414 -5.115 5.907 1.00 0.00 C ATOM 89 O VAL A 7 -0.893 -4.321 6.694 1.00 0.00 O ATOM 90 CB VAL A 7 -3.173 -4.337 4.237 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.585 -3.127 5.086 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.437 -4.012 2.761 1.00 0.00 C ATOM 0 H VAL A 7 -2.029 -6.163 2.993 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.112 -3.807 4.238 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.763 -5.203 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.635 -2.895 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.442 -3.358 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.972 -2.267 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.488 -3.756 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.817 -3.168 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.194 -4.880 2.148 1.00 0.00 H new ATOM 102 N GLU A 8 -1.729 -6.373 6.227 1.00 0.00 N ATOM 103 CA GLU A 8 -1.580 -6.919 7.567 1.00 0.00 C ATOM 104 C GLU A 8 -0.118 -6.825 8.001 1.00 0.00 C ATOM 105 O GLU A 8 0.169 -6.244 9.042 1.00 0.00 O ATOM 106 CB GLU A 8 -2.117 -8.359 7.623 1.00 0.00 C ATOM 107 CG GLU A 8 -2.199 -8.921 9.053 1.00 0.00 C ATOM 108 CD GLU A 8 -3.628 -9.310 9.446 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.063 -10.444 9.152 1.00 0.00 O ATOM 110 OE2 GLU A 8 -4.304 -8.495 10.122 1.00 0.00 O ATOM 0 H GLU A 8 -2.098 -7.043 5.552 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.172 -6.334 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.108 -8.388 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.474 -9.003 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.552 -9.794 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.822 -8.178 9.755 1.00 0.00 H new ATOM 117 N THR A 9 0.811 -7.342 7.197 1.00 0.00 N ATOM 118 CA THR A 9 2.209 -7.467 7.567 1.00 0.00 C ATOM 119 C THR A 9 2.834 -6.105 7.823 1.00 0.00 C ATOM 120 O THR A 9 3.536 -5.931 8.823 1.00 0.00 O ATOM 121 CB THR A 9 3.010 -8.189 6.475 1.00 0.00 C ATOM 122 OG1 THR A 9 2.451 -8.123 5.177 1.00 0.00 O ATOM 123 CG2 THR A 9 3.231 -9.662 6.807 1.00 0.00 C ATOM 0 H THR A 9 0.605 -7.688 6.260 1.00 0.00 H new ATOM 0 HA THR A 9 2.244 -8.055 8.484 1.00 0.00 H new ATOM 0 HB THR A 9 3.953 -7.642 6.461 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.713 -8.764 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.802 -10.134 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.782 -9.745 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.267 -10.161 6.907 1.00 0.00 H new ATOM 131 N VAL A 10 2.612 -5.153 6.916 1.00 0.00 N ATOM 132 CA VAL A 10 3.217 -3.842 7.035 1.00 0.00 C ATOM 133 C VAL A 10 2.721 -3.159 8.311 1.00 0.00 C ATOM 134 O VAL A 10 3.537 -2.510 8.959 1.00 0.00 O ATOM 135 CB VAL A 10 2.956 -3.017 5.764 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.522 -1.606 5.874 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.601 -3.611 4.514 1.00 0.00 C ATOM 0 H VAL A 10 2.018 -5.272 6.096 1.00 0.00 H new ATOM 0 HA VAL A 10 4.299 -3.935 7.124 1.00 0.00 H new ATOM 0 HB VAL A 10 1.870 -3.017 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.315 -1.058 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.057 -1.092 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.599 -1.657 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.377 -2.980 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.681 -3.666 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.206 -4.612 4.341 1.00 0.00 H new ATOM 147 N SER A 11 1.455 -3.327 8.710 1.00 0.00 N ATOM 148 CA SER A 11 0.948 -2.759 9.957 1.00 0.00 C ATOM 149 C SER A 11 1.758 -3.253 11.158 1.00 0.00 C ATOM 150 O SER A 11 2.035 -2.493 12.096 1.00 0.00 O ATOM 151 CB SER A 11 -0.526 -3.138 10.100 1.00 0.00 C ATOM 152 OG SER A 11 -1.124 -2.561 11.239 1.00 0.00 O ATOM 0 H SER A 11 0.762 -3.856 8.181 1.00 0.00 H new ATOM 0 HA SER A 11 1.048 -1.674 9.929 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.068 -2.820 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.615 -4.223 10.157 1.00 0.00 H new ATOM 0 HG SER A 11 -2.065 -2.831 11.286 1.00 0.00 H new ATOM 158 N LEU A 12 2.172 -4.524 11.140 1.00 0.00 N ATOM 159 CA LEU A 12 2.903 -5.103 12.260 1.00 0.00 C ATOM 160 C LEU A 12 4.273 -4.437 12.406 1.00 0.00 C ATOM 161 O LEU A 12 4.703 -4.140 13.519 1.00 0.00 O ATOM 162 CB LEU A 12 3.061 -6.628 12.134 1.00 0.00 C ATOM 163 CG LEU A 12 1.751 -7.381 11.855 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.008 -8.875 11.672 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.697 -7.181 12.947 1.00 0.00 C ATOM 0 H LEU A 12 2.012 -5.165 10.363 1.00 0.00 H new ATOM 0 HA LEU A 12 2.313 -4.914 13.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.767 -6.843 11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.498 -7.013 13.055 1.00 0.00 H new ATOM 0 HG LEU A 12 1.356 -6.955 10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.065 -9.385 11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.685 -9.027 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.458 -9.280 12.578 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.204 -7.739 12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.087 -7.540 13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.456 -6.121 13.030 1.00 0.00 H new ATOM 177 N ALA A 13 4.949 -4.176 11.283 1.00 0.00 N ATOM 178 CA ALA A 13 6.208 -3.440 11.260 1.00 0.00 C ATOM 179 C ALA A 13 5.991 -1.933 11.434 1.00 0.00 C ATOM 180 O ALA A 13 6.897 -1.217 11.858 1.00 0.00 O ATOM 181 CB ALA A 13 6.922 -3.716 9.933 1.00 0.00 C ATOM 0 H ALA A 13 4.632 -4.473 10.360 1.00 0.00 H new ATOM 0 HA ALA A 13 6.819 -3.779 12.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.865 -3.170 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.119 -4.784 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.291 -3.391 9.106 1.00 0.00 H new ATOM 187 N GLY A 14 4.809 -1.423 11.094 1.00 0.00 N ATOM 188 CA GLY A 14 4.564 -0.011 10.850 1.00 0.00 C ATOM 189 C GLY A 14 5.336 0.508 9.632 1.00 0.00 C ATOM 190 O GLY A 14 5.457 1.722 9.469 1.00 0.00 O ATOM 0 H GLY A 14 3.976 -2.000 10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.497 0.150 10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.850 0.563 11.731 1.00 0.00 H new ATOM 194 N SER A 15 5.911 -0.352 8.778 1.00 0.00 N ATOM 195 CA SER A 15 6.825 0.103 7.738 1.00 0.00 C ATOM 196 C SER A 15 7.103 -0.998 6.701 1.00 0.00 C ATOM 197 O SER A 15 6.827 -2.175 6.957 1.00 0.00 O ATOM 198 CB SER A 15 8.085 0.646 8.451 1.00 0.00 C ATOM 199 OG SER A 15 9.215 -0.206 8.374 1.00 0.00 O ATOM 0 H SER A 15 5.756 -1.360 8.792 1.00 0.00 H new ATOM 0 HA SER A 15 6.388 0.906 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.344 1.612 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.847 0.820 9.500 1.00 0.00 H new ATOM 0 HG SER A 15 9.969 0.207 8.845 1.00 0.00 H new ATOM 205 N TYR A 16 7.655 -0.635 5.535 1.00 0.00 N ATOM 206 CA TYR A 16 8.110 -1.592 4.518 1.00 0.00 C ATOM 207 C TYR A 16 9.312 -1.057 3.744 1.00 0.00 C ATOM 208 O TYR A 16 9.212 0.005 3.132 1.00 0.00 O ATOM 209 CB TYR A 16 6.982 -1.919 3.529 1.00 0.00 C ATOM 210 CG TYR A 16 7.284 -3.094 2.611 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.947 -2.915 1.379 1.00 0.00 C ATOM 212 CD2 TYR A 16 6.917 -4.389 3.006 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.213 -4.016 0.536 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.174 -5.487 2.179 1.00 0.00 C ATOM 215 CZ TYR A 16 7.804 -5.311 0.929 1.00 0.00 C ATOM 216 OH TYR A 16 8.019 -6.378 0.115 1.00 0.00 O ATOM 0 H TYR A 16 7.799 0.339 5.269 1.00 0.00 H new ATOM 0 HA TYR A 16 8.405 -2.499 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.072 -2.134 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.780 -1.038 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.255 -1.925 1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.431 -4.540 3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.726 -3.870 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.888 -6.478 2.500 1.00 0.00 H new ATOM 0 HH TYR A 16 7.676 -7.190 0.543 1.00 0.00 H new ATOM 226 N ARG A 17 10.397 -1.832 3.672 1.00 0.00 N ATOM 227 CA ARG A 17 11.690 -1.490 3.070 1.00 0.00 C ATOM 228 C ARG A 17 12.259 -0.199 3.658 1.00 0.00 C ATOM 229 O ARG A 17 13.050 -0.298 4.589 1.00 0.00 O ATOM 230 CB ARG A 17 11.638 -1.462 1.532 1.00 0.00 C ATOM 231 CG ARG A 17 11.322 -2.823 0.887 1.00 0.00 C ATOM 232 CD ARG A 17 12.452 -3.399 0.024 1.00 0.00 C ATOM 233 NE ARG A 17 13.081 -4.619 0.564 1.00 0.00 N ATOM 234 CZ ARG A 17 13.857 -4.776 1.642 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.167 -3.741 2.408 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.342 -5.974 1.948 1.00 0.00 N ATOM 0 H ARG A 17 10.397 -2.776 4.057 1.00 0.00 H new ATOM 0 HA ARG A 17 12.381 -2.292 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.884 -0.740 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.597 -1.107 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.085 -3.537 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.429 -2.720 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.057 -3.619 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.220 -2.636 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 17 12.896 -5.472 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.813 -2.812 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.760 -3.873 3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.123 -6.778 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.933 -6.090 2.771 1.00 0.00 H new ATOM 250 N ASP A 18 11.876 0.963 3.131 1.00 0.00 N ATOM 251 CA ASP A 18 12.267 2.306 3.584 1.00 0.00 C ATOM 252 C ASP A 18 11.020 3.147 3.911 1.00 0.00 C ATOM 253 O ASP A 18 11.111 4.216 4.514 1.00 0.00 O ATOM 254 CB ASP A 18 13.101 3.013 2.489 1.00 0.00 C ATOM 255 CG ASP A 18 14.551 3.288 2.887 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.324 2.307 2.968 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.955 4.473 2.994 1.00 0.00 O ATOM 0 H ASP A 18 11.247 0.999 2.329 1.00 0.00 H new ATOM 0 HA ASP A 18 12.870 2.205 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.093 2.399 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.620 3.958 2.235 1.00 0.00 H new ATOM 262 N TRP A 19 9.833 2.688 3.504 1.00 0.00 N ATOM 263 CA TRP A 19 8.547 3.359 3.620 1.00 0.00 C ATOM 264 C TRP A 19 8.006 3.210 5.032 1.00 0.00 C ATOM 265 O TRP A 19 8.406 2.304 5.766 1.00 0.00 O ATOM 266 CB TRP A 19 7.535 2.747 2.641 1.00 0.00 C ATOM 267 CG TRP A 19 7.880 2.760 1.190 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.940 2.157 0.620 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.167 3.408 0.100 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.953 2.418 -0.728 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.876 3.178 -1.110 1.00 0.00 C ATOM 272 CE3 TRP A 19 6.002 4.191 0.017 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.414 3.650 -2.341 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.529 4.684 -1.203 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.222 4.390 -2.391 1.00 0.00 C ATOM 0 H TRP A 19 9.746 1.776 3.055 1.00 0.00 H new ATOM 0 HA TRP A 19 8.692 4.414 3.387 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.366 1.711 2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.588 3.272 2.765 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.670 1.558 1.144 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.675 2.087 -1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.457 4.418 0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.968 3.448 -3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.635 5.289 -1.233 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.838 4.733 -3.340 1.00 0.00 H new ATOM 286 N SER A 20 7.014 4.021 5.360 1.00 0.00 N ATOM 287 CA SER A 20 6.349 4.129 6.638 1.00 0.00 C ATOM 288 C SER A 20 4.867 3.853 6.400 1.00 0.00 C ATOM 289 O SER A 20 4.314 4.348 5.421 1.00 0.00 O ATOM 290 CB SER A 20 6.579 5.564 7.114 1.00 0.00 C ATOM 291 OG SER A 20 7.786 5.666 7.849 1.00 0.00 O ATOM 0 H SER A 20 6.625 4.673 4.679 1.00 0.00 H new ATOM 0 HA SER A 20 6.719 3.428 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.614 6.235 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.742 5.884 7.735 1.00 0.00 H new ATOM 0 HG SER A 20 7.913 6.593 8.142 1.00 0.00 H new ATOM 297 N TYR A 21 4.241 3.039 7.249 1.00 0.00 N ATOM 298 CA TYR A 21 2.798 2.788 7.228 1.00 0.00 C ATOM 299 C TYR A 21 2.018 4.083 7.540 1.00 0.00 C ATOM 300 O TYR A 21 2.602 5.115 7.884 1.00 0.00 O ATOM 301 CB TYR A 21 2.528 1.633 8.213 1.00 0.00 C ATOM 302 CG TYR A 21 1.123 1.042 8.282 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.700 0.088 7.333 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.257 1.365 9.344 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.559 -0.525 7.432 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.017 0.771 9.441 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.427 -0.185 8.485 1.00 0.00 C ATOM 308 OH TYR A 21 -2.637 -0.803 8.558 1.00 0.00 O ATOM 0 H TYR A 21 4.729 2.526 7.983 1.00 0.00 H new ATOM 0 HA TYR A 21 2.446 2.487 6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.216 0.823 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.789 1.983 9.212 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.356 -0.175 6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.573 2.076 10.093 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.861 -1.258 6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.681 1.047 10.247 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.128 -0.469 9.337 1.00 0.00 H new ATOM 318 N SER A 22 0.699 4.041 7.364 1.00 0.00 N ATOM 319 CA SER A 22 -0.260 5.094 7.655 1.00 0.00 C ATOM 320 C SER A 22 -1.514 4.415 8.216 1.00 0.00 C ATOM 321 O SER A 22 -1.498 3.965 9.360 1.00 0.00 O ATOM 322 CB SER A 22 -0.477 6.005 6.435 1.00 0.00 C ATOM 323 OG SER A 22 -1.395 7.039 6.753 1.00 0.00 O ATOM 0 H SER A 22 0.244 3.209 6.987 1.00 0.00 H new ATOM 0 HA SER A 22 0.102 5.789 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.473 6.436 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.854 5.419 5.597 1.00 0.00 H new ATOM 0 HG SER A 22 -1.505 7.629 5.978 1.00 0.00 H new ATOM 329 N GLY A 23 -2.627 4.416 7.481 1.00 0.00 N ATOM 330 CA GLY A 23 -3.923 3.917 7.914 1.00 0.00 C ATOM 331 C GLY A 23 -4.969 5.021 8.030 1.00 0.00 C ATOM 332 O GLY A 23 -6.075 4.795 8.521 1.00 0.00 O ATOM 0 H GLY A 23 -2.645 4.781 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.272 3.164 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.814 3.423 8.879 1.00 0.00 H new ATOM 336 N GLN A 24 -4.644 6.232 7.579 1.00 0.00 N ATOM 337 CA GLN A 24 -5.582 7.327 7.412 1.00 0.00 C ATOM 338 C GLN A 24 -6.552 6.910 6.312 1.00 0.00 C ATOM 339 O GLN A 24 -6.193 6.909 5.135 1.00 0.00 O ATOM 340 CB GLN A 24 -4.790 8.601 7.072 1.00 0.00 C ATOM 341 CG GLN A 24 -5.625 9.805 6.607 1.00 0.00 C ATOM 342 CD GLN A 24 -6.524 10.365 7.703 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.070 11.126 8.555 1.00 0.00 O ATOM 344 NE2 GLN A 24 -7.801 10.026 7.736 1.00 0.00 N ATOM 0 H GLN A 24 -3.691 6.479 7.314 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.154 7.545 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.220 8.897 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.069 8.360 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.956 10.591 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.239 9.508 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.179 9.395 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.408 10.396 8.468 1.00 0.00 H new ATOM 353 N ARG A 25 -7.771 6.513 6.679 1.00 0.00 N ATOM 354 CA ARG A 25 -8.808 6.266 5.685 1.00 0.00 C ATOM 355 C ARG A 25 -9.214 7.595 5.061 1.00 0.00 C ATOM 356 O ARG A 25 -9.312 8.594 5.777 1.00 0.00 O ATOM 357 CB ARG A 25 -9.963 5.467 6.299 1.00 0.00 C ATOM 358 CG ARG A 25 -10.840 6.288 7.236 1.00 0.00 C ATOM 359 CD ARG A 25 -11.666 5.352 8.124 1.00 0.00 C ATOM 360 NE ARG A 25 -12.937 5.972 8.525 1.00 0.00 N ATOM 361 CZ ARG A 25 -14.146 5.419 8.388 1.00 0.00 C ATOM 362 NH1 ARG A 25 -14.299 4.115 8.189 1.00 0.00 N ATOM 363 NH2 ARG A 25 -15.229 6.181 8.420 1.00 0.00 N ATOM 0 H ARG A 25 -8.059 6.358 7.645 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.436 5.639 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.581 5.063 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.556 4.617 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.220 6.938 7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.501 6.934 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.866 4.424 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.091 5.091 9.012 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.893 6.902 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.481 3.508 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.234 3.721 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.140 7.189 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.152 5.760 8.316 1.00 0.00 H new ATOM 377 N THR A 26 -9.455 7.623 3.759 1.00 0.00 N ATOM 378 CA THR A 26 -9.939 8.785 3.035 1.00 0.00 C ATOM 379 C THR A 26 -10.991 8.311 2.026 1.00 0.00 C ATOM 380 O THR A 26 -11.379 7.142 2.005 1.00 0.00 O ATOM 381 CB THR A 26 -8.780 9.584 2.390 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.378 9.072 1.134 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.531 9.722 3.268 1.00 0.00 C ATOM 0 H THR A 26 -9.314 6.810 3.159 1.00 0.00 H new ATOM 0 HA THR A 26 -10.409 9.491 3.720 1.00 0.00 H new ATOM 0 HB THR A 26 -9.220 10.573 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.646 9.618 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.773 10.296 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.792 10.236 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.139 8.732 3.501 1.00 0.00 H new ATOM 391 N GLU A 27 -11.467 9.216 1.176 1.00 0.00 N ATOM 392 CA GLU A 27 -12.410 8.906 0.109 1.00 0.00 C ATOM 393 C GLU A 27 -11.821 7.966 -0.949 1.00 0.00 C ATOM 394 O GLU A 27 -12.555 7.247 -1.633 1.00 0.00 O ATOM 395 CB GLU A 27 -12.799 10.235 -0.555 1.00 0.00 C ATOM 396 CG GLU A 27 -14.250 10.283 -1.016 1.00 0.00 C ATOM 397 CD GLU A 27 -15.192 10.488 0.168 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.333 9.592 1.028 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.789 11.584 0.271 1.00 0.00 O ATOM 0 H GLU A 27 -11.203 10.201 1.211 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.269 8.392 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.623 11.049 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.148 10.408 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.381 11.092 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.503 9.356 -1.531 1.00 0.00 H new ATOM 406 N LEU A 28 -10.497 8.011 -1.114 1.00 0.00 N ATOM 407 CA LEU A 28 -9.777 7.328 -2.185 1.00 0.00 C ATOM 408 C LEU A 28 -9.374 5.919 -1.811 1.00 0.00 C ATOM 409 O LEU A 28 -8.896 5.181 -2.676 1.00 0.00 O ATOM 410 CB LEU A 28 -8.564 8.169 -2.616 1.00 0.00 C ATOM 411 CG LEU A 28 -8.929 9.574 -3.134 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.652 10.369 -3.394 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.777 9.549 -4.413 1.00 0.00 C ATOM 0 H LEU A 28 -9.884 8.536 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.456 7.228 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.885 8.270 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.023 7.634 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.533 10.046 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.910 11.363 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.085 10.460 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.048 9.853 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.998 10.570 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.227 9.041 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.709 9.018 -4.221 1.00 0.00 H new ATOM 425 N GLY A 29 -9.609 5.520 -0.567 1.00 0.00 N ATOM 426 CA GLY A 29 -9.028 4.312 -0.040 1.00 0.00 C ATOM 427 C GLY A 29 -8.423 4.620 1.317 1.00 0.00 C ATOM 428 O GLY A 29 -8.656 5.694 1.877 1.00 0.00 O ATOM 0 H GLY A 29 -10.202 6.025 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.787 3.535 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.264 3.932 -0.718 1.00 0.00 H new ATOM 432 N VAL A 30 -7.661 3.682 1.859 1.00 0.00 N ATOM 433 CA VAL A 30 -6.907 3.917 3.088 1.00 0.00 C ATOM 434 C VAL A 30 -5.459 4.178 2.700 1.00 0.00 C ATOM 435 O VAL A 30 -4.912 3.450 1.874 1.00 0.00 O ATOM 436 CB VAL A 30 -7.094 2.710 4.015 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.305 2.805 5.315 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.548 2.594 4.465 1.00 0.00 C ATOM 0 H VAL A 30 -7.546 2.747 1.468 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.259 4.789 3.640 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.752 1.863 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.488 1.915 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.241 2.878 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.621 3.689 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.658 1.731 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.836 3.498 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.190 2.470 3.593 1.00 0.00 H new ATOM 448 N GLU A 31 -4.854 5.229 3.259 1.00 0.00 N ATOM 449 CA GLU A 31 -3.435 5.504 3.103 1.00 0.00 C ATOM 450 C GLU A 31 -2.641 4.299 3.578 1.00 0.00 C ATOM 451 O GLU A 31 -2.900 3.757 4.655 1.00 0.00 O ATOM 452 CB GLU A 31 -2.977 6.689 3.955 1.00 0.00 C ATOM 453 CG GLU A 31 -3.322 8.074 3.403 1.00 0.00 C ATOM 454 CD GLU A 31 -2.558 9.199 4.125 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.665 8.914 4.969 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.853 10.379 3.838 1.00 0.00 O ATOM 0 H GLU A 31 -5.344 5.914 3.835 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.269 5.728 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.419 6.593 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.896 6.627 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.090 8.106 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.394 8.245 3.501 1.00 0.00 H new ATOM 463 N PHE A 32 -1.625 3.945 2.819 1.00 0.00 N ATOM 464 CA PHE A 32 -0.795 2.791 3.042 1.00 0.00 C ATOM 465 C PHE A 32 0.589 3.215 3.446 1.00 0.00 C ATOM 466 O PHE A 32 0.832 3.802 4.490 1.00 0.00 O ATOM 467 CB PHE A 32 -1.015 1.775 1.904 1.00 0.00 C ATOM 468 CG PHE A 32 -0.610 0.333 2.174 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.566 -0.213 3.478 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.266 -0.483 1.083 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.075 -1.508 3.686 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.202 -1.787 1.293 1.00 0.00 C ATOM 473 CZ PHE A 32 0.332 -2.291 2.599 1.00 0.00 C ATOM 0 H PHE A 32 -1.347 4.480 1.996 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.076 2.198 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.073 1.786 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.465 2.123 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.913 0.372 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.363 -0.103 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.010 -1.904 4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.464 -2.407 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.743 -3.276 2.763 1.00 0.00 H new ATOM 483 N LEU A 33 1.483 2.906 2.559 1.00 0.00 N ATOM 484 CA LEU A 33 2.903 3.181 2.676 1.00 0.00 C ATOM 485 C LEU A 33 3.147 4.588 2.151 1.00 0.00 C ATOM 486 O LEU A 33 2.888 4.880 0.987 1.00 0.00 O ATOM 487 CB LEU A 33 3.799 2.164 1.955 1.00 0.00 C ATOM 488 CG LEU A 33 4.032 0.837 2.692 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.566 1.046 4.112 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.764 0.007 2.648 1.00 0.00 C ATOM 0 H LEU A 33 1.243 2.432 1.688 1.00 0.00 H new ATOM 0 HA LEU A 33 3.178 3.095 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.358 1.945 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.767 2.629 1.769 1.00 0.00 H new ATOM 0 HG LEU A 33 4.817 0.281 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.714 0.078 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.516 1.579 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.848 1.630 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.928 -0.935 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.954 0.554 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.497 -0.195 1.611 1.00 0.00 H new ATOM 502 N LYS A 34 3.651 5.469 2.997 1.00 0.00 N ATOM 503 CA LYS A 34 4.267 6.731 2.645 1.00 0.00 C ATOM 504 C LYS A 34 5.776 6.532 2.504 1.00 0.00 C ATOM 505 O LYS A 34 6.359 5.805 3.305 1.00 0.00 O ATOM 506 CB LYS A 34 4.001 7.734 3.767 1.00 0.00 C ATOM 507 CG LYS A 34 2.595 8.353 3.738 1.00 0.00 C ATOM 508 CD LYS A 34 2.613 9.820 4.190 1.00 0.00 C ATOM 509 CE LYS A 34 3.192 10.711 3.083 1.00 0.00 C ATOM 510 NZ LYS A 34 3.628 12.031 3.573 1.00 0.00 N ATOM 0 H LYS A 34 3.639 5.311 4.005 1.00 0.00 H new ATOM 0 HA LYS A 34 3.855 7.098 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.147 7.237 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.739 8.534 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.189 8.288 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.931 7.780 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.602 10.144 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.209 9.921 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.039 10.203 2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.441 10.849 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.009 12.587 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.817 12.532 3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.366 11.907 4.295 1.00 0.00 H new ATOM 524 N ARG A 35 6.420 7.180 1.535 1.00 0.00 N ATOM 525 CA ARG A 35 7.868 7.401 1.482 1.00 0.00 C ATOM 526 C ARG A 35 8.071 8.673 0.680 1.00 0.00 C ATOM 527 O ARG A 35 7.607 8.731 -0.455 1.00 0.00 O ATOM 528 CB ARG A 35 8.587 6.238 0.779 1.00 0.00 C ATOM 529 CG ARG A 35 10.098 6.462 0.601 1.00 0.00 C ATOM 530 CD ARG A 35 10.788 5.309 -0.140 1.00 0.00 C ATOM 531 NE ARG A 35 12.048 5.756 -0.766 1.00 0.00 N ATOM 532 CZ ARG A 35 12.560 5.261 -1.901 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.150 4.099 -2.391 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.499 5.925 -2.557 1.00 0.00 N ATOM 0 H ARG A 35 5.932 7.581 0.735 1.00 0.00 H new ATOM 0 HA ARG A 35 8.278 7.474 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.429 5.325 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.134 6.081 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.261 7.389 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.560 6.586 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.993 4.496 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.120 4.912 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 35 12.569 6.498 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.432 3.564 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.553 3.740 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.836 6.818 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.885 5.543 -3.420 1.00 0.00 H new ATOM 548 N GLY A 36 8.759 9.677 1.217 1.00 0.00 N ATOM 549 CA GLY A 36 8.813 10.997 0.604 1.00 0.00 C ATOM 550 C GLY A 36 7.418 11.455 0.219 1.00 0.00 C ATOM 551 O GLY A 36 6.499 11.407 1.037 1.00 0.00 O ATOM 0 H GLY A 36 9.291 9.598 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.259 11.710 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.451 10.970 -0.279 1.00 0.00 H new ATOM 555 N ASP A 37 7.284 11.850 -1.040 1.00 0.00 N ATOM 556 CA ASP A 37 6.052 12.331 -1.652 1.00 0.00 C ATOM 557 C ASP A 37 5.183 11.184 -2.183 1.00 0.00 C ATOM 558 O ASP A 37 4.123 11.430 -2.762 1.00 0.00 O ATOM 559 CB ASP A 37 6.435 13.299 -2.782 1.00 0.00 C ATOM 560 CG ASP A 37 6.850 14.655 -2.221 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.965 15.418 -1.780 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.079 14.907 -2.133 1.00 0.00 O ATOM 0 H ASP A 37 8.068 11.844 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 37 5.451 12.841 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.253 12.877 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.591 13.425 -3.460 1.00 0.00 H new ATOM 567 N LYS A 38 5.612 9.923 -2.051 1.00 0.00 N ATOM 568 CA LYS A 38 4.876 8.775 -2.564 1.00 0.00 C ATOM 569 C LYS A 38 3.963 8.274 -1.476 1.00 0.00 C ATOM 570 O LYS A 38 4.428 7.972 -0.378 1.00 0.00 O ATOM 571 CB LYS A 38 5.835 7.692 -3.058 1.00 0.00 C ATOM 572 CG LYS A 38 6.715 8.189 -4.202 1.00 0.00 C ATOM 573 CD LYS A 38 6.068 8.962 -5.363 1.00 0.00 C ATOM 574 CE LYS A 38 5.302 8.096 -6.366 1.00 0.00 C ATOM 575 NZ LYS A 38 5.044 8.817 -7.632 1.00 0.00 N ATOM 0 H LYS A 38 6.484 9.676 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 38 4.273 9.065 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.465 7.361 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.264 6.825 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.485 8.829 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.222 7.323 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.385 9.704 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.847 9.507 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.872 7.190 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.355 7.783 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.009 8.137 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.135 9.318 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.806 9.504 -7.802 1.00 0.00 H new ATOM 589 N ILE A 39 2.677 8.181 -1.787 1.00 0.00 N ATOM 590 CA ILE A 39 1.650 7.683 -0.891 1.00 0.00 C ATOM 591 C ILE A 39 0.940 6.572 -1.646 1.00 0.00 C ATOM 592 O ILE A 39 0.198 6.815 -2.600 1.00 0.00 O ATOM 593 CB ILE A 39 0.678 8.790 -0.434 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.477 10.019 0.046 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.227 8.178 0.657 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.611 11.106 0.681 1.00 0.00 C ATOM 0 H ILE A 39 2.312 8.459 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 39 2.091 7.310 0.034 1.00 0.00 H new ATOM 0 HB ILE A 39 0.045 9.147 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.225 9.695 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.015 10.445 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.932 8.931 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.776 7.332 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.387 7.838 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.242 11.938 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.121 11.459 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.093 10.698 1.549 1.00 0.00 H new ATOM 608 N VAL A 40 1.171 5.342 -1.212 1.00 0.00 N ATOM 609 CA VAL A 40 0.370 4.215 -1.638 1.00 0.00 C ATOM 610 C VAL A 40 -0.908 4.287 -0.813 1.00 0.00 C ATOM 611 O VAL A 40 -0.886 4.703 0.341 1.00 0.00 O ATOM 612 CB VAL A 40 1.137 2.893 -1.406 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.422 1.672 -2.002 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.535 2.924 -2.026 1.00 0.00 C ATOM 0 H VAL A 40 1.916 5.102 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 40 0.142 4.246 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 40 1.192 2.801 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.010 0.775 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.562 1.568 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.310 1.805 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.037 1.975 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.453 3.085 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.112 3.734 -1.581 1.00 0.00 H new ATOM 624 N TYR A 41 -2.009 3.837 -1.394 1.00 0.00 N ATOM 625 CA TYR A 41 -3.281 3.560 -0.762 1.00 0.00 C ATOM 626 C TYR A 41 -3.592 2.090 -0.993 1.00 0.00 C ATOM 627 O TYR A 41 -3.019 1.471 -1.893 1.00 0.00 O ATOM 628 CB TYR A 41 -4.386 4.433 -1.374 1.00 0.00 C ATOM 629 CG TYR A 41 -4.282 5.905 -1.039 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.251 6.682 -1.602 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.218 6.498 -0.169 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.149 8.045 -1.292 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.103 7.859 0.164 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.071 8.643 -0.401 1.00 0.00 C ATOM 635 OH TYR A 41 -3.978 9.966 -0.089 1.00 0.00 O ATOM 0 H TYR A 41 -2.034 3.643 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.232 3.783 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.364 4.318 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.353 4.064 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.538 6.227 -2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.023 5.907 0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.364 8.641 -1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.804 8.306 0.853 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.694 10.206 0.536 1.00 0.00 H new ATOM 645 N HIS A 42 -4.530 1.540 -0.234 1.00 0.00 N ATOM 646 CA HIS A 42 -5.112 0.240 -0.516 1.00 0.00 C ATOM 647 C HIS A 42 -6.627 0.370 -0.531 1.00 0.00 C ATOM 648 O HIS A 42 -7.198 1.269 0.106 1.00 0.00 O ATOM 649 CB HIS A 42 -4.600 -0.798 0.484 1.00 0.00 C ATOM 650 CG HIS A 42 -5.010 -0.589 1.922 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.190 -1.005 2.494 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.243 -0.053 2.919 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.132 -0.725 3.806 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.960 -0.143 4.116 1.00 0.00 N ATOM 0 H HIS A 42 -4.909 1.988 0.600 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.806 -0.115 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.947 -1.781 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.511 -0.814 0.436 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.970 -1.447 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.255 0.367 2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.919 -0.938 4.515 1.00 0.00 H new ATOM 662 N THR A 43 -7.278 -0.519 -1.271 1.00 0.00 N ATOM 663 CA THR A 43 -8.721 -0.627 -1.254 1.00 0.00 C ATOM 664 C THR A 43 -9.153 -1.231 0.081 1.00 0.00 C ATOM 665 O THR A 43 -8.411 -1.978 0.727 1.00 0.00 O ATOM 666 CB THR A 43 -9.197 -1.445 -2.466 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.561 -2.694 -2.550 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.864 -0.710 -3.765 1.00 0.00 C ATOM 0 H THR A 43 -6.817 -1.181 -1.896 1.00 0.00 H new ATOM 0 HA THR A 43 -9.187 0.355 -1.339 1.00 0.00 H new ATOM 0 HB THR A 43 -10.270 -1.580 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.182 -3.397 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.206 -1.300 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.362 0.260 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.786 -0.565 -3.835 1.00 0.00 H new ATOM 676 N LEU A 44 -10.371 -0.900 0.502 1.00 0.00 N ATOM 677 CA LEU A 44 -11.037 -1.582 1.604 1.00 0.00 C ATOM 678 C LEU A 44 -11.327 -3.030 1.215 1.00 0.00 C ATOM 679 O LEU A 44 -11.056 -3.947 1.987 1.00 0.00 O ATOM 680 CB LEU A 44 -12.343 -0.858 1.978 1.00 0.00 C ATOM 681 CG LEU A 44 -12.154 0.630 2.318 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.463 1.236 2.814 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.122 0.829 3.422 1.00 0.00 C ATOM 0 H LEU A 44 -10.923 -0.150 0.087 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.379 -1.571 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.046 -0.945 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.794 -1.362 2.833 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.818 1.116 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.310 2.289 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.223 1.144 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.792 0.708 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.016 1.893 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.449 0.310 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.162 0.426 3.099 1.00 0.00 H new ATOM 695 N GLU A 45 -11.892 -3.225 0.024 1.00 0.00 N ATOM 696 CA GLU A 45 -12.347 -4.525 -0.449 1.00 0.00 C ATOM 697 C GLU A 45 -11.235 -5.267 -1.188 1.00 0.00 C ATOM 698 O GLU A 45 -10.253 -4.667 -1.635 1.00 0.00 O ATOM 699 CB GLU A 45 -13.571 -4.329 -1.355 1.00 0.00 C ATOM 700 CG GLU A 45 -14.802 -3.895 -0.543 1.00 0.00 C ATOM 701 CD GLU A 45 -15.488 -2.670 -1.149 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.136 -1.522 -0.771 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.442 -2.841 -1.935 1.00 0.00 O ATOM 0 H GLU A 45 -12.047 -2.472 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.626 -5.137 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.349 -3.578 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.789 -5.258 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.512 -4.720 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.500 -3.672 0.480 1.00 0.00 H new ATOM 710 N SER A 46 -11.435 -6.578 -1.332 1.00 0.00 N ATOM 711 CA SER A 46 -10.547 -7.509 -2.002 1.00 0.00 C ATOM 712 C SER A 46 -10.971 -7.752 -3.459 1.00 0.00 C ATOM 713 O SER A 46 -12.162 -7.674 -3.773 1.00 0.00 O ATOM 714 CB SER A 46 -10.519 -8.822 -1.225 1.00 0.00 C ATOM 715 OG SER A 46 -11.826 -9.307 -0.991 1.00 0.00 O ATOM 0 H SER A 46 -12.268 -7.036 -0.962 1.00 0.00 H new ATOM 0 HA SER A 46 -9.547 -7.076 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.947 -9.565 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.008 -8.674 -0.274 1.00 0.00 H new ATOM 0 HG SER A 46 -11.778 -10.150 -0.493 1.00 0.00 H new ATOM 721 N PRO A 47 -10.040 -8.147 -4.342 1.00 0.00 N ATOM 722 CA PRO A 47 -8.610 -8.204 -4.077 1.00 0.00 C ATOM 723 C PRO A 47 -8.090 -6.810 -3.823 1.00 0.00 C ATOM 724 O PRO A 47 -8.592 -5.842 -4.397 1.00 0.00 O ATOM 725 CB PRO A 47 -7.990 -8.814 -5.310 1.00 0.00 C ATOM 726 CG PRO A 47 -8.936 -8.399 -6.435 1.00 0.00 C ATOM 727 CD PRO A 47 -10.301 -8.394 -5.749 1.00 0.00 C ATOM 0 HA PRO A 47 -8.369 -8.797 -3.195 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.980 -8.439 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.918 -9.898 -5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.682 -7.418 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.905 -9.101 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.946 -7.621 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.812 -9.346 -5.890 1.00 0.00 H new ATOM 735 N VAL A 48 -7.203 -6.722 -2.840 1.00 0.00 N ATOM 736 CA VAL A 48 -6.768 -5.434 -2.372 1.00 0.00 C ATOM 737 C VAL A 48 -5.831 -4.920 -3.451 1.00 0.00 C ATOM 738 O VAL A 48 -4.760 -5.484 -3.682 1.00 0.00 O ATOM 739 CB VAL A 48 -6.200 -5.512 -0.953 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.611 -4.166 -0.546 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.293 -5.903 0.057 1.00 0.00 C ATOM 0 H VAL A 48 -6.782 -7.520 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.578 -4.716 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.421 -6.274 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.210 -4.235 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.811 -3.895 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.390 -3.404 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.863 -5.951 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.088 -5.158 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.703 -6.877 -0.209 1.00 0.00 H new ATOM 751 N GLU A 49 -6.306 -3.916 -4.174 1.00 0.00 N ATOM 752 CA GLU A 49 -5.496 -3.207 -5.135 1.00 0.00 C ATOM 753 C GLU A 49 -4.766 -2.106 -4.381 1.00 0.00 C ATOM 754 O GLU A 49 -5.228 -1.614 -3.347 1.00 0.00 O ATOM 755 CB GLU A 49 -6.343 -2.663 -6.289 1.00 0.00 C ATOM 756 CG GLU A 49 -6.906 -3.795 -7.159 1.00 0.00 C ATOM 757 CD GLU A 49 -7.279 -3.335 -8.572 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.186 -2.482 -8.730 1.00 0.00 O ATOM 759 OE2 GLU A 49 -6.689 -3.843 -9.562 1.00 0.00 O ATOM 0 H GLU A 49 -7.265 -3.575 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.773 -3.877 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.164 -2.068 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.737 -1.998 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.169 -4.595 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.788 -4.214 -6.675 1.00 0.00 H new ATOM 766 N PHE A 50 -3.610 -1.718 -4.908 1.00 0.00 N ATOM 767 CA PHE A 50 -2.657 -0.889 -4.203 1.00 0.00 C ATOM 768 C PHE A 50 -2.347 0.290 -5.096 1.00 0.00 C ATOM 769 O PHE A 50 -1.598 0.141 -6.055 1.00 0.00 O ATOM 770 CB PHE A 50 -1.406 -1.706 -3.907 1.00 0.00 C ATOM 771 CG PHE A 50 -1.621 -2.922 -3.019 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.731 -2.770 -1.624 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.693 -4.212 -3.582 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.901 -3.897 -0.799 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.876 -5.338 -2.757 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.978 -5.182 -1.364 1.00 0.00 C ATOM 0 H PHE A 50 -3.311 -1.977 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.053 -0.534 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.976 -2.038 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.671 -1.056 -3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.685 -1.784 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.607 -4.337 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.973 -3.775 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.938 -6.323 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.115 -6.046 -0.730 1.00 0.00 H new ATOM 786 N HIS A 51 -2.982 1.431 -4.869 1.00 0.00 N ATOM 787 CA HIS A 51 -2.857 2.572 -5.767 1.00 0.00 C ATOM 788 C HIS A 51 -1.696 3.410 -5.283 1.00 0.00 C ATOM 789 O HIS A 51 -1.672 3.770 -4.110 1.00 0.00 O ATOM 790 CB HIS A 51 -4.137 3.417 -5.817 1.00 0.00 C ATOM 791 CG HIS A 51 -5.436 2.661 -5.704 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.655 1.402 -6.175 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.602 3.092 -5.109 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.973 1.057 -5.896 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.503 2.100 -5.234 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.592 1.592 -4.067 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.687 2.211 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.096 4.150 -5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.144 3.973 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.763 4.047 -4.632 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.471 0.135 -6.159 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.457 2.135 -4.876 1.00 0.00 H new ATOM 803 N LEU A 52 -0.762 3.758 -6.156 1.00 0.00 N ATOM 804 CA LEU A 52 0.293 4.703 -5.840 1.00 0.00 C ATOM 805 C LEU A 52 0.135 5.888 -6.763 1.00 0.00 C ATOM 806 O LEU A 52 0.313 5.747 -7.971 1.00 0.00 O ATOM 807 CB LEU A 52 1.675 4.067 -6.004 1.00 0.00 C ATOM 808 CG LEU A 52 2.827 5.082 -5.885 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.860 5.815 -4.541 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.159 4.365 -6.102 1.00 0.00 C ATOM 0 H LEU A 52 -0.717 3.390 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 52 0.213 5.017 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.803 3.291 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.730 3.577 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 52 2.658 5.838 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.697 6.514 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.928 6.363 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.979 5.091 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.976 5.082 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.280 3.587 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.172 3.914 -7.094 1.00 0.00 H new ATOM 822 N ASP A 53 -0.152 7.048 -6.182 1.00 0.00 N ATOM 823 CA ASP A 53 -0.078 8.355 -6.824 1.00 0.00 C ATOM 824 C ASP A 53 -1.056 8.521 -7.993 1.00 0.00 C ATOM 825 O ASP A 53 -0.993 9.503 -8.733 1.00 0.00 O ATOM 826 CB ASP A 53 1.377 8.609 -7.223 1.00 0.00 C ATOM 827 CG ASP A 53 1.706 10.070 -7.500 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.994 10.980 -7.007 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.767 10.262 -8.134 1.00 0.00 O ATOM 0 H ASP A 53 -0.455 7.105 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.399 9.115 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.028 8.247 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.605 8.023 -8.113 1.00 0.00 H new ATOM 834 N GLY A 54 -2.012 7.600 -8.141 1.00 0.00 N ATOM 835 CA GLY A 54 -2.950 7.569 -9.252 1.00 0.00 C ATOM 836 C GLY A 54 -2.662 6.448 -10.251 1.00 0.00 C ATOM 837 O GLY A 54 -3.286 6.414 -11.312 1.00 0.00 O ATOM 0 H GLY A 54 -2.153 6.841 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.961 7.449 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.920 8.527 -9.772 1.00 0.00 H new ATOM 841 N GLU A 55 -1.755 5.518 -9.952 1.00 0.00 N ATOM 842 CA GLU A 55 -1.574 4.277 -10.697 1.00 0.00 C ATOM 843 C GLU A 55 -1.946 3.135 -9.760 1.00 0.00 C ATOM 844 O GLU A 55 -1.291 2.914 -8.749 1.00 0.00 O ATOM 845 CB GLU A 55 -0.132 4.164 -11.217 1.00 0.00 C ATOM 846 CG GLU A 55 -0.040 4.626 -12.680 1.00 0.00 C ATOM 847 CD GLU A 55 1.409 4.837 -13.146 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.300 4.027 -12.796 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.706 5.862 -13.807 1.00 0.00 O ATOM 0 H GLU A 55 -1.112 5.611 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.213 4.246 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.531 4.769 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.209 3.132 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.519 3.886 -13.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.594 5.557 -12.798 1.00 0.00 H new ATOM 856 N VAL A 56 -3.040 2.443 -10.049 1.00 0.00 N ATOM 857 CA VAL A 56 -3.400 1.172 -9.431 1.00 0.00 C ATOM 858 C VAL A 56 -2.325 0.160 -9.814 1.00 0.00 C ATOM 859 O VAL A 56 -2.107 -0.130 -10.993 1.00 0.00 O ATOM 860 CB VAL A 56 -4.797 0.723 -9.921 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.262 -0.560 -9.230 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.879 1.785 -9.676 1.00 0.00 C ATOM 0 H VAL A 56 -3.721 2.759 -10.739 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.453 1.262 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.675 0.558 -10.992 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.247 -0.838 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.554 -1.363 -9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.316 -0.395 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.839 1.417 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.950 1.992 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.617 2.700 -10.207 1.00 0.00 H new ATOM 872 N LEU A 57 -1.647 -0.371 -8.808 1.00 0.00 N ATOM 873 CA LEU A 57 -0.606 -1.364 -8.934 1.00 0.00 C ATOM 874 C LEU A 57 -1.157 -2.693 -8.387 1.00 0.00 C ATOM 875 O LEU A 57 -2.176 -2.729 -7.689 1.00 0.00 O ATOM 876 CB LEU A 57 0.653 -0.910 -8.170 1.00 0.00 C ATOM 877 CG LEU A 57 0.935 0.579 -7.878 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.947 0.652 -6.727 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.453 1.279 -9.138 1.00 0.00 C ATOM 0 H LEU A 57 -1.820 -0.105 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.315 -1.496 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.640 -1.423 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.512 -1.291 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 57 0.021 1.095 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.165 1.696 -6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.530 0.168 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.867 0.145 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.648 2.329 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.375 0.800 -9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.705 1.207 -9.928 1.00 0.00 H new ATOM 891 N SER A 58 -0.454 -3.786 -8.683 1.00 0.00 N ATOM 892 CA SER A 58 -0.734 -5.136 -8.216 1.00 0.00 C ATOM 893 C SER A 58 0.143 -5.523 -7.033 1.00 0.00 C ATOM 894 O SER A 58 1.046 -4.781 -6.648 1.00 0.00 O ATOM 895 CB SER A 58 -0.569 -6.091 -9.401 1.00 0.00 C ATOM 896 OG SER A 58 -1.572 -5.862 -10.368 1.00 0.00 O ATOM 0 H SER A 58 0.368 -3.747 -9.286 1.00 0.00 H new ATOM 0 HA SER A 58 -1.757 -5.194 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.415 -5.955 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.620 -7.123 -9.053 1.00 0.00 H new ATOM 0 HG SER A 58 -1.450 -6.480 -11.119 1.00 0.00 H new ATOM 902 N LEU A 59 -0.105 -6.681 -6.428 1.00 0.00 N ATOM 903 CA LEU A 59 0.605 -7.087 -5.225 1.00 0.00 C ATOM 904 C LEU A 59 2.069 -7.344 -5.551 1.00 0.00 C ATOM 905 O LEU A 59 2.949 -6.970 -4.785 1.00 0.00 O ATOM 906 CB LEU A 59 -0.051 -8.357 -4.661 1.00 0.00 C ATOM 907 CG LEU A 59 0.700 -8.940 -3.454 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.620 -8.050 -2.217 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.120 -10.292 -3.064 1.00 0.00 C ATOM 0 H LEU A 59 -0.796 -7.356 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 59 0.553 -6.294 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.076 -8.130 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.104 -9.111 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 59 1.740 -9.024 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.169 -8.515 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.057 -7.077 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.423 -7.922 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.665 -10.688 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.932 -10.175 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.210 -10.982 -3.903 1.00 0.00 H new ATOM 921 N ASP A 60 2.335 -8.026 -6.661 1.00 0.00 N ATOM 922 CA ASP A 60 3.690 -8.430 -7.006 1.00 0.00 C ATOM 923 C ASP A 60 4.537 -7.241 -7.387 1.00 0.00 C ATOM 924 O ASP A 60 5.632 -7.064 -6.850 1.00 0.00 O ATOM 925 CB ASP A 60 3.672 -9.451 -8.142 1.00 0.00 C ATOM 926 CG ASP A 60 4.562 -10.626 -7.757 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.158 -11.342 -6.811 1.00 0.00 O ATOM 928 OD2 ASP A 60 5.684 -10.755 -8.296 1.00 0.00 O ATOM 0 H ASP A 60 1.626 -8.310 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 60 4.133 -8.892 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.654 -9.793 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.027 -8.995 -9.066 1.00 0.00 H new ATOM 933 N LYS A 61 4.006 -6.393 -8.276 1.00 0.00 N ATOM 934 CA LYS A 61 4.761 -5.238 -8.725 1.00 0.00 C ATOM 935 C LYS A 61 5.005 -4.343 -7.522 1.00 0.00 C ATOM 936 O LYS A 61 6.125 -3.862 -7.392 1.00 0.00 O ATOM 937 CB LYS A 61 4.148 -4.518 -9.934 1.00 0.00 C ATOM 938 CG LYS A 61 4.977 -4.611 -11.218 1.00 0.00 C ATOM 939 CD LYS A 61 4.390 -3.778 -12.370 1.00 0.00 C ATOM 940 CE LYS A 61 4.486 -2.252 -12.197 1.00 0.00 C ATOM 941 NZ LYS A 61 3.375 -1.666 -11.419 1.00 0.00 N ATOM 0 H LYS A 61 3.077 -6.488 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 61 5.721 -5.570 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.159 -4.934 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.009 -3.467 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.993 -4.274 -11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.043 -5.654 -11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.900 -4.055 -13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.341 -4.047 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.428 -2.011 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.512 -1.786 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.165 -0.712 -11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.530 -2.265 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.646 -1.607 -10.417 1.00 0.00 H new ATOM 955 N LEU A 62 4.006 -4.165 -6.635 1.00 0.00 N ATOM 956 CA LEU A 62 4.114 -3.266 -5.501 1.00 0.00 C ATOM 957 C LEU A 62 5.385 -3.560 -4.721 1.00 0.00 C ATOM 958 O LEU A 62 6.174 -2.642 -4.528 1.00 0.00 O ATOM 959 CB LEU A 62 2.861 -3.345 -4.631 1.00 0.00 C ATOM 960 CG LEU A 62 2.990 -2.559 -3.313 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.156 -1.054 -3.583 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.736 -2.702 -2.462 1.00 0.00 C ATOM 0 H LEU A 62 3.109 -4.646 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 62 4.184 -2.239 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.010 -2.961 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.648 -4.390 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 62 3.860 -2.966 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.245 -0.522 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.054 -0.888 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.287 -0.684 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.857 -2.136 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.877 -2.319 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.575 -3.754 -2.225 1.00 0.00 H new ATOM 974 N LYS A 63 5.639 -4.811 -4.326 1.00 0.00 N ATOM 975 CA LYS A 63 6.837 -5.134 -3.551 1.00 0.00 C ATOM 976 C LYS A 63 8.103 -4.653 -4.256 1.00 0.00 C ATOM 977 O LYS A 63 8.950 -3.995 -3.649 1.00 0.00 O ATOM 978 CB LYS A 63 6.935 -6.647 -3.258 1.00 0.00 C ATOM 979 CG LYS A 63 5.702 -7.157 -2.511 1.00 0.00 C ATOM 980 CD LYS A 63 5.694 -8.658 -2.221 1.00 0.00 C ATOM 981 CE LYS A 63 4.343 -8.965 -1.557 1.00 0.00 C ATOM 982 NZ LYS A 63 4.060 -10.410 -1.444 1.00 0.00 N ATOM 0 H LYS A 63 5.037 -5.609 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 63 6.750 -4.608 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.045 -7.193 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.828 -6.846 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.621 -6.620 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.815 -6.911 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.814 -9.232 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.520 -8.931 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.326 -8.520 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.548 -8.490 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.135 -10.548 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.045 -10.836 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.800 -10.865 -0.871 1.00 0.00 H new ATOM 996 N SER A 64 8.204 -4.932 -5.555 1.00 0.00 N ATOM 997 CA SER A 64 9.294 -4.470 -6.395 1.00 0.00 C ATOM 998 C SER A 64 9.386 -2.937 -6.460 1.00 0.00 C ATOM 999 O SER A 64 10.498 -2.406 -6.480 1.00 0.00 O ATOM 1000 CB SER A 64 9.163 -5.081 -7.801 1.00 0.00 C ATOM 1001 OG SER A 64 10.083 -6.150 -7.951 1.00 0.00 O ATOM 0 H SER A 64 7.516 -5.495 -6.056 1.00 0.00 H new ATOM 0 HA SER A 64 10.226 -4.808 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.146 -5.441 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.351 -4.319 -8.557 1.00 0.00 H new ATOM 0 HG SER A 64 9.993 -6.536 -8.847 1.00 0.00 H new ATOM 1007 N LEU A 65 8.254 -2.228 -6.506 1.00 0.00 N ATOM 1008 CA LEU A 65 8.210 -0.767 -6.567 1.00 0.00 C ATOM 1009 C LEU A 65 8.546 -0.121 -5.221 1.00 0.00 C ATOM 1010 O LEU A 65 8.866 1.071 -5.168 1.00 0.00 O ATOM 1011 CB LEU A 65 6.814 -0.249 -6.960 1.00 0.00 C ATOM 1012 CG LEU A 65 6.141 -0.733 -8.255 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.090 0.305 -8.632 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.124 -0.947 -9.408 1.00 0.00 C ATOM 0 H LEU A 65 7.330 -2.661 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 65 8.951 -0.496 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.139 -0.486 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.878 0.838 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 65 5.695 -1.711 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.588 -0.002 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.358 0.390 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.572 1.270 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.582 -1.288 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.630 -0.008 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.862 -1.697 -9.123 1.00 0.00 H new ATOM 1026 N LEU A 66 8.363 -0.854 -4.121 1.00 0.00 N ATOM 1027 CA LEU A 66 8.665 -0.363 -2.785 1.00 0.00 C ATOM 1028 C LEU A 66 10.138 -0.591 -2.441 1.00 0.00 C ATOM 1029 O LEU A 66 10.601 -0.074 -1.424 1.00 0.00 O ATOM 1030 CB LEU A 66 7.783 -1.038 -1.731 1.00 0.00 C ATOM 1031 CG LEU A 66 6.278 -0.760 -1.852 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.509 -1.722 -0.958 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.888 0.647 -1.435 1.00 0.00 C ATOM 0 H LEU A 66 8.000 -1.807 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 66 8.458 0.707 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.941 -2.115 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.116 -0.717 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 66 6.033 -0.887 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.441 -1.524 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.714 -2.747 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.821 -1.585 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.811 0.774 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.167 0.808 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.405 1.370 -2.066 1.00 0.00 H new ATOM 1045 N SER A 67 10.884 -1.357 -3.240 1.00 0.00 N ATOM 1046 CA SER A 67 12.347 -1.318 -3.198 1.00 0.00 C ATOM 1047 C SER A 67 12.873 0.044 -3.693 1.00 0.00 C ATOM 1048 O SER A 67 14.029 0.383 -3.354 1.00 0.00 O ATOM 1049 CB SER A 67 12.897 -2.515 -3.989 1.00 0.00 C ATOM 1050 OG SER A 67 13.911 -3.190 -3.258 1.00 0.00 O ATOM 0 H SER A 67 10.500 -2.010 -3.923 1.00 0.00 H new ATOM 0 HA SER A 67 12.703 -1.410 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.087 -3.207 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.299 -2.171 -4.942 1.00 0.00 H new ATOM 0 HG SER A 67 14.243 -3.948 -3.783 1.00 0.00 H new