USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 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 66:sc= 0.933 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 28:sc= 0.0187 USER MOD Single : A 5 HIS :FLIP no HE2:sc= -0.101 F(o=-0.77,f=-0.1) USER MOD Single : A 9 THR OG1 : rot -76:sc= 0.914 USER MOD Single : A 15 SER OG : rot 80:sc= 1.26 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -166:sc= 0.00209 USER MOD Single : A 24 GLN : amide:sc= 0.934 K(o=0.93,f=-0.046) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.859 K(o=-0.86,f=-3.4!) USER MOD Single : A 43 THR OG1 : rot 99:sc= 0.0414 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.741 F(o=-2.1,f=-0.74) USER MOD Single : A 58 SER OG : rot 180:sc= -0.167 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -4.326 -12.492 -0.933 1.00 0.00 N ATOM 9 CA SER A 2 -2.904 -12.427 -0.556 1.00 0.00 C ATOM 10 C SER A 2 -2.454 -10.986 -0.289 1.00 0.00 C ATOM 11 O SER A 2 -1.483 -10.711 0.415 1.00 0.00 O ATOM 12 CB SER A 2 -2.066 -12.957 -1.710 1.00 0.00 C ATOM 13 OG SER A 2 -2.330 -14.315 -2.035 1.00 0.00 O ATOM 0 HA SER A 2 -2.773 -13.018 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.247 -12.341 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.011 -12.852 -1.458 1.00 0.00 H new ATOM 0 HG SER A 2 -3.256 -14.533 -1.800 1.00 0.00 H new ATOM 19 N GLU A 3 -3.148 -10.060 -0.926 1.00 0.00 N ATOM 20 CA GLU A 3 -2.959 -8.628 -0.900 1.00 0.00 C ATOM 21 C GLU A 3 -3.374 -8.098 0.475 1.00 0.00 C ATOM 22 O GLU A 3 -2.645 -7.311 1.068 1.00 0.00 O ATOM 23 CB GLU A 3 -3.781 -7.993 -2.037 1.00 0.00 C ATOM 24 CG GLU A 3 -3.644 -8.674 -3.414 1.00 0.00 C ATOM 25 CD GLU A 3 -4.706 -9.747 -3.702 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.158 -10.431 -2.752 1.00 0.00 O ATOM 27 OE2 GLU A 3 -5.005 -10.032 -4.886 1.00 0.00 O ATOM 0 H GLU A 3 -3.929 -10.320 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.912 -8.368 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.833 -8.001 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.485 -6.949 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.697 -7.910 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.656 -9.130 -3.483 1.00 0.00 H new ATOM 34 N GLU A 4 -4.485 -8.612 1.011 1.00 0.00 N ATOM 35 CA GLU A 4 -4.948 -8.389 2.390 1.00 0.00 C ATOM 36 C GLU A 4 -3.800 -8.652 3.374 1.00 0.00 C ATOM 37 O GLU A 4 -3.480 -7.841 4.238 1.00 0.00 O ATOM 38 CB GLU A 4 -6.125 -9.333 2.716 1.00 0.00 C ATOM 39 CG GLU A 4 -7.338 -9.185 1.787 1.00 0.00 C ATOM 40 CD GLU A 4 -8.457 -10.170 2.139 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.238 -11.393 1.975 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.554 -9.738 2.559 1.00 0.00 O ATOM 0 H GLU A 4 -5.111 -9.217 0.480 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.280 -7.355 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.771 -10.363 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.445 -9.152 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.720 -8.166 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.026 -9.346 0.755 1.00 0.00 H new ATOM 49 N HIS A 5 -3.112 -9.778 3.185 1.00 0.00 N ATOM 50 CA HIS A 5 -2.018 -10.203 4.046 1.00 0.00 C ATOM 51 C HIS A 5 -0.839 -9.233 3.932 1.00 0.00 C ATOM 52 O HIS A 5 -0.088 -9.032 4.886 1.00 0.00 O ATOM 53 CB HIS A 5 -1.649 -11.645 3.670 1.00 0.00 C ATOM 54 CG HIS A 5 -0.392 -12.214 4.282 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.230 -11.826 5.440 1.00 0.00 N flip ATOM 56 CD2 HIS A 5 0.319 -13.273 3.767 1.00 0.00 C flip ATOM 57 CE1 HIS A 5 1.371 -12.613 5.602 1.00 0.00 C flip ATOM 58 NE2 HIS A 5 1.353 -13.495 4.594 1.00 0.00 N flip ATOM 0 H HIS A 5 -3.304 -10.425 2.420 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.316 -10.187 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.482 -12.291 3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.551 -11.698 2.586 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.086 -11.091 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.089 -13.823 2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.115 -12.528 6.380 1.00 0.00 H new ATOM 66 N PHE A 6 -0.636 -8.614 2.772 1.00 0.00 N ATOM 67 CA PHE A 6 0.424 -7.631 2.650 1.00 0.00 C ATOM 68 C PHE A 6 0.135 -6.375 3.474 1.00 0.00 C ATOM 69 O PHE A 6 1.032 -5.861 4.140 1.00 0.00 O ATOM 70 CB PHE A 6 0.663 -7.278 1.194 1.00 0.00 C ATOM 71 CG PHE A 6 1.864 -6.379 1.019 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.148 -6.834 1.362 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.677 -5.047 0.620 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.255 -5.975 1.237 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.783 -4.186 0.503 1.00 0.00 C ATOM 76 CZ PHE A 6 4.075 -4.653 0.787 1.00 0.00 C ATOM 0 H PHE A 6 -1.180 -8.773 1.924 1.00 0.00 H new ATOM 0 HA PHE A 6 1.333 -8.080 3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.808 -8.192 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.221 -6.784 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.285 -7.843 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.684 -4.683 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.244 -6.330 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.637 -3.162 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.927 -4.002 0.661 1.00 0.00 H new ATOM 86 N VAL A 7 -1.111 -5.897 3.452 1.00 0.00 N ATOM 87 CA VAL A 7 -1.536 -4.796 4.320 1.00 0.00 C ATOM 88 C VAL A 7 -1.237 -5.157 5.773 1.00 0.00 C ATOM 89 O VAL A 7 -0.619 -4.378 6.501 1.00 0.00 O ATOM 90 CB VAL A 7 -3.026 -4.457 4.117 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.507 -3.370 5.085 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.275 -3.992 2.681 1.00 0.00 C ATOM 0 H VAL A 7 -1.845 -6.256 2.841 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.975 -3.900 4.055 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.589 -5.368 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.562 -3.164 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.374 -3.712 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.928 -2.460 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.331 -3.756 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.678 -3.103 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.994 -4.785 1.988 1.00 0.00 H new ATOM 102 N GLU A 8 -1.649 -6.364 6.152 1.00 0.00 N ATOM 103 CA GLU A 8 -1.522 -6.902 7.497 1.00 0.00 C ATOM 104 C GLU A 8 -0.058 -6.824 7.934 1.00 0.00 C ATOM 105 O GLU A 8 0.254 -6.244 8.972 1.00 0.00 O ATOM 106 CB GLU A 8 -2.080 -8.327 7.523 1.00 0.00 C ATOM 107 CG GLU A 8 -1.984 -8.970 8.907 1.00 0.00 C ATOM 108 CD GLU A 8 -3.197 -8.764 9.810 1.00 0.00 C ATOM 109 OE1 GLU A 8 -3.826 -7.683 9.783 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.441 -9.692 10.619 1.00 0.00 O ATOM 0 H GLU A 8 -2.096 -7.015 5.506 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.102 -6.317 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.123 -8.311 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.537 -8.939 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.824 -10.041 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.104 -8.573 9.413 1.00 0.00 H new ATOM 117 N THR A 9 0.854 -7.387 7.141 1.00 0.00 N ATOM 118 CA THR A 9 2.252 -7.509 7.510 1.00 0.00 C ATOM 119 C THR A 9 2.910 -6.145 7.704 1.00 0.00 C ATOM 120 O THR A 9 3.667 -5.953 8.665 1.00 0.00 O ATOM 121 CB THR A 9 3.024 -8.308 6.451 1.00 0.00 C ATOM 122 OG1 THR A 9 2.470 -8.282 5.156 1.00 0.00 O ATOM 123 CG2 THR A 9 3.184 -9.774 6.856 1.00 0.00 C ATOM 0 H THR A 9 0.636 -7.771 6.222 1.00 0.00 H new ATOM 0 HA THR A 9 2.286 -8.041 8.461 1.00 0.00 H new ATOM 0 HB THR A 9 3.986 -7.798 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.687 -8.871 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.735 -10.307 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.731 -9.834 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.200 -10.227 6.978 1.00 0.00 H new ATOM 131 N VAL A 10 2.639 -5.209 6.792 1.00 0.00 N ATOM 132 CA VAL A 10 3.217 -3.882 6.879 1.00 0.00 C ATOM 133 C VAL A 10 2.682 -3.182 8.136 1.00 0.00 C ATOM 134 O VAL A 10 3.465 -2.505 8.803 1.00 0.00 O ATOM 135 CB VAL A 10 2.949 -3.105 5.579 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.397 -1.654 5.698 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.681 -3.659 4.358 1.00 0.00 C ATOM 0 H VAL A 10 2.024 -5.352 5.991 1.00 0.00 H new ATOM 0 HA VAL A 10 4.301 -3.936 6.981 1.00 0.00 H new ATOM 0 HB VAL A 10 1.872 -3.201 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.194 -1.133 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.852 -1.170 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.466 -1.619 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.439 -3.055 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.756 -3.628 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.371 -4.690 4.185 1.00 0.00 H new ATOM 147 N SER A 11 1.408 -3.364 8.508 1.00 0.00 N ATOM 148 CA SER A 11 0.844 -2.765 9.717 1.00 0.00 C ATOM 149 C SER A 11 1.643 -3.157 10.955 1.00 0.00 C ATOM 150 O SER A 11 1.886 -2.340 11.851 1.00 0.00 O ATOM 151 CB SER A 11 -0.623 -3.172 9.875 1.00 0.00 C ATOM 152 OG SER A 11 -1.282 -2.388 10.853 1.00 0.00 O ATOM 0 H SER A 11 0.744 -3.929 7.979 1.00 0.00 H new ATOM 0 HA SER A 11 0.901 -1.681 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.135 -3.066 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.681 -4.224 10.153 1.00 0.00 H new ATOM 0 HG SER A 11 -1.328 -1.457 10.549 1.00 0.00 H new ATOM 158 N LEU A 12 2.101 -4.408 11.007 1.00 0.00 N ATOM 159 CA LEU A 12 2.873 -4.875 12.142 1.00 0.00 C ATOM 160 C LEU A 12 4.175 -4.087 12.224 1.00 0.00 C ATOM 161 O LEU A 12 4.480 -3.506 13.267 1.00 0.00 O ATOM 162 CB LEU A 12 3.123 -6.383 12.083 1.00 0.00 C ATOM 163 CG LEU A 12 1.841 -7.205 11.908 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.232 -8.681 11.937 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.784 -6.947 12.988 1.00 0.00 C ATOM 0 H LEU A 12 1.949 -5.106 10.279 1.00 0.00 H new ATOM 0 HA LEU A 12 2.298 -4.701 13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.801 -6.600 11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.625 -6.697 12.998 1.00 0.00 H new ATOM 0 HG LEU A 12 1.386 -6.909 10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.340 -9.296 11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.930 -8.888 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.705 -8.913 12.891 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.092 -7.565 12.794 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.195 -7.196 13.966 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.497 -5.896 12.972 1.00 0.00 H new ATOM 177 N ALA A 13 4.933 -4.045 11.127 1.00 0.00 N ATOM 178 CA ALA A 13 6.190 -3.309 11.064 1.00 0.00 C ATOM 179 C ALA A 13 5.986 -1.795 11.214 1.00 0.00 C ATOM 180 O ALA A 13 6.899 -1.096 11.648 1.00 0.00 O ATOM 181 CB ALA A 13 6.895 -3.656 9.749 1.00 0.00 C ATOM 0 H ALA A 13 4.690 -4.522 10.259 1.00 0.00 H new ATOM 0 HA ALA A 13 6.816 -3.608 11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.838 -3.113 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.091 -4.728 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.259 -3.375 8.910 1.00 0.00 H new ATOM 187 N GLY A 14 4.800 -1.276 10.890 1.00 0.00 N ATOM 188 CA GLY A 14 4.533 0.150 10.783 1.00 0.00 C ATOM 189 C GLY A 14 5.275 0.774 9.599 1.00 0.00 C ATOM 190 O GLY A 14 5.382 1.996 9.519 1.00 0.00 O ATOM 0 H GLY A 14 3.983 -1.853 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.461 0.313 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.834 0.647 11.705 1.00 0.00 H new ATOM 194 N SER A 15 5.807 -0.024 8.667 1.00 0.00 N ATOM 195 CA SER A 15 6.655 0.440 7.581 1.00 0.00 C ATOM 196 C SER A 15 6.948 -0.736 6.648 1.00 0.00 C ATOM 197 O SER A 15 6.716 -1.896 6.996 1.00 0.00 O ATOM 198 CB SER A 15 7.912 1.088 8.202 1.00 0.00 C ATOM 199 OG SER A 15 9.115 0.838 7.514 1.00 0.00 O ATOM 0 H SER A 15 5.652 -1.032 8.653 1.00 0.00 H new ATOM 0 HA SER A 15 6.174 1.201 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.758 2.166 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.017 0.732 9.227 1.00 0.00 H new ATOM 0 HG SER A 15 9.180 1.437 6.741 1.00 0.00 H new ATOM 205 N TYR A 16 7.463 -0.439 5.454 1.00 0.00 N ATOM 206 CA TYR A 16 7.954 -1.444 4.524 1.00 0.00 C ATOM 207 C TYR A 16 9.201 -0.921 3.835 1.00 0.00 C ATOM 208 O TYR A 16 9.119 0.122 3.188 1.00 0.00 O ATOM 209 CB TYR A 16 6.887 -1.786 3.479 1.00 0.00 C ATOM 210 CG TYR A 16 7.262 -2.980 2.627 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.276 -4.262 3.199 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.644 -2.812 1.285 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.661 -5.377 2.440 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.996 -3.928 0.502 1.00 0.00 C ATOM 215 CZ TYR A 16 8.023 -5.216 1.084 1.00 0.00 C ATOM 216 OH TYR A 16 8.412 -6.280 0.333 1.00 0.00 O ATOM 0 H TYR A 16 7.550 0.516 5.107 1.00 0.00 H new ATOM 0 HA TYR A 16 8.191 -2.352 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.942 -1.988 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.726 -0.922 2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.988 -4.391 4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.668 -1.823 0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.681 -6.358 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.245 -3.800 -0.541 1.00 0.00 H new ATOM 0 HH TYR A 16 7.966 -7.090 0.658 1.00 0.00 H new ATOM 226 N ARG A 17 10.316 -1.653 3.905 1.00 0.00 N ATOM 227 CA ARG A 17 11.612 -1.325 3.302 1.00 0.00 C ATOM 228 C ARG A 17 12.170 -0.001 3.826 1.00 0.00 C ATOM 229 O ARG A 17 13.007 0.017 4.721 1.00 0.00 O ATOM 230 CB ARG A 17 11.508 -1.345 1.760 1.00 0.00 C ATOM 231 CG ARG A 17 11.004 -2.670 1.167 1.00 0.00 C ATOM 232 CD ARG A 17 12.115 -3.483 0.512 1.00 0.00 C ATOM 233 NE ARG A 17 12.910 -4.193 1.520 1.00 0.00 N ATOM 234 CZ ARG A 17 14.007 -3.748 2.139 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.674 -2.695 1.674 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.396 -4.360 3.249 1.00 0.00 N ATOM 0 H ARG A 17 10.341 -2.538 4.411 1.00 0.00 H new ATOM 0 HA ARG A 17 12.327 -2.092 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.840 -0.544 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.490 -1.125 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.542 -3.264 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.229 -2.462 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.683 -4.200 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.761 -2.823 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 17 12.591 -5.127 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.349 -2.216 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.510 -2.367 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.861 -5.150 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.230 -4.041 3.742 1.00 0.00 H new ATOM 250 N ASP A 18 11.704 1.097 3.244 1.00 0.00 N ATOM 251 CA ASP A 18 12.108 2.481 3.498 1.00 0.00 C ATOM 252 C ASP A 18 10.893 3.379 3.776 1.00 0.00 C ATOM 253 O ASP A 18 11.015 4.522 4.211 1.00 0.00 O ATOM 254 CB ASP A 18 12.849 2.978 2.254 1.00 0.00 C ATOM 255 CG ASP A 18 13.948 3.993 2.554 1.00 0.00 C ATOM 256 OD1 ASP A 18 13.675 5.206 2.688 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.123 3.556 2.564 1.00 0.00 O ATOM 0 H ASP A 18 10.979 1.043 2.528 1.00 0.00 H new ATOM 0 HA ASP A 18 12.747 2.521 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.288 2.124 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.129 3.428 1.570 1.00 0.00 H new ATOM 262 N TRP A 19 9.697 2.860 3.495 1.00 0.00 N ATOM 263 CA TRP A 19 8.424 3.548 3.587 1.00 0.00 C ATOM 264 C TRP A 19 7.921 3.464 5.019 1.00 0.00 C ATOM 265 O TRP A 19 8.455 2.703 5.823 1.00 0.00 O ATOM 266 CB TRP A 19 7.393 2.881 2.650 1.00 0.00 C ATOM 267 CG TRP A 19 7.695 2.853 1.187 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.734 2.224 0.603 1.00 0.00 C ATOM 269 CD2 TRP A 19 6.965 3.503 0.106 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.710 2.467 -0.753 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.669 3.292 -1.110 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.803 4.294 0.039 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.238 3.844 -2.325 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.361 4.861 -1.158 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.080 4.639 -2.344 1.00 0.00 C ATOM 0 H TRP A 19 9.593 1.895 3.181 1.00 0.00 H new ATOM 0 HA TRP A 19 8.554 4.589 3.292 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.255 1.852 2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.439 3.391 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.470 1.624 1.117 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.384 2.081 -1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.236 4.468 0.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.790 3.660 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.468 5.469 -1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.743 5.080 -3.271 1.00 0.00 H new ATOM 286 N SER A 20 6.819 4.139 5.299 1.00 0.00 N ATOM 287 CA SER A 20 6.130 4.266 6.559 1.00 0.00 C ATOM 288 C SER A 20 4.700 3.802 6.321 1.00 0.00 C ATOM 289 O SER A 20 4.131 4.149 5.291 1.00 0.00 O ATOM 290 CB SER A 20 6.130 5.758 6.864 1.00 0.00 C ATOM 291 OG SER A 20 7.414 6.186 7.277 1.00 0.00 O ATOM 0 H SER A 20 6.340 4.664 4.568 1.00 0.00 H new ATOM 0 HA SER A 20 6.581 3.693 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.823 6.315 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.401 5.974 7.645 1.00 0.00 H new ATOM 0 HG SER A 20 7.393 7.147 7.466 1.00 0.00 H new ATOM 297 N TYR A 21 4.116 3.005 7.208 1.00 0.00 N ATOM 298 CA TYR A 21 2.679 2.733 7.198 1.00 0.00 C ATOM 299 C TYR A 21 1.922 4.017 7.574 1.00 0.00 C ATOM 300 O TYR A 21 2.517 5.000 8.023 1.00 0.00 O ATOM 301 CB TYR A 21 2.397 1.576 8.172 1.00 0.00 C ATOM 302 CG TYR A 21 1.018 0.940 8.129 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.602 0.207 6.999 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.185 0.987 9.263 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.626 -0.476 7.011 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.072 0.359 9.255 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.470 -0.396 8.135 1.00 0.00 C ATOM 308 OH TYR A 21 -2.651 -1.061 8.124 1.00 0.00 O ATOM 0 H TYR A 21 4.622 2.529 7.954 1.00 0.00 H new ATOM 0 HA TYR A 21 2.336 2.432 6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.133 0.794 7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.567 1.941 9.185 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.229 0.170 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.515 1.511 10.148 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.923 -1.064 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.731 0.455 10.105 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.120 -0.909 8.971 1.00 0.00 H new ATOM 318 N SER A 22 0.611 4.021 7.369 1.00 0.00 N ATOM 319 CA SER A 22 -0.335 4.984 7.890 1.00 0.00 C ATOM 320 C SER A 22 -1.552 4.153 8.298 1.00 0.00 C ATOM 321 O SER A 22 -1.502 3.433 9.287 1.00 0.00 O ATOM 322 CB SER A 22 -0.589 6.119 6.887 1.00 0.00 C ATOM 323 OG SER A 22 -1.415 7.115 7.456 1.00 0.00 O ATOM 0 H SER A 22 0.158 3.306 6.799 1.00 0.00 H new ATOM 0 HA SER A 22 0.024 5.532 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.360 6.559 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.060 5.719 5.989 1.00 0.00 H new ATOM 0 HG SER A 22 -1.746 7.709 6.750 1.00 0.00 H new ATOM 329 N GLY A 23 -2.672 4.282 7.594 1.00 0.00 N ATOM 330 CA GLY A 23 -3.896 3.540 7.849 1.00 0.00 C ATOM 331 C GLY A 23 -5.098 4.457 8.013 1.00 0.00 C ATOM 332 O GLY A 23 -6.152 4.025 8.478 1.00 0.00 O ATOM 0 H GLY A 23 -2.753 4.926 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.078 2.848 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.774 2.939 8.750 1.00 0.00 H new ATOM 336 N GLN A 24 -4.954 5.714 7.603 1.00 0.00 N ATOM 337 CA GLN A 24 -5.986 6.726 7.618 1.00 0.00 C ATOM 338 C GLN A 24 -6.913 6.495 6.432 1.00 0.00 C ATOM 339 O GLN A 24 -6.527 6.710 5.277 1.00 0.00 O ATOM 340 CB GLN A 24 -5.290 8.089 7.548 1.00 0.00 C ATOM 341 CG GLN A 24 -6.273 9.268 7.475 1.00 0.00 C ATOM 342 CD GLN A 24 -7.107 9.399 8.747 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.571 9.582 9.839 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.419 9.292 8.643 1.00 0.00 N ATOM 0 H GLN A 24 -4.069 6.063 7.235 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.592 6.685 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.653 8.210 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.639 8.113 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.719 10.192 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.935 9.135 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.848 9.140 7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.004 9.361 9.476 1.00 0.00 H new ATOM 353 N ARG A 25 -8.139 6.042 6.695 1.00 0.00 N ATOM 354 CA ARG A 25 -9.194 6.120 5.689 1.00 0.00 C ATOM 355 C ARG A 25 -9.367 7.574 5.254 1.00 0.00 C ATOM 356 O ARG A 25 -9.365 8.488 6.079 1.00 0.00 O ATOM 357 CB ARG A 25 -10.498 5.469 6.125 1.00 0.00 C ATOM 358 CG ARG A 25 -10.933 5.903 7.519 1.00 0.00 C ATOM 359 CD ARG A 25 -10.773 4.781 8.556 1.00 0.00 C ATOM 360 NE ARG A 25 -12.065 4.228 9.020 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.875 3.379 8.371 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.448 2.715 7.301 1.00 0.00 N ATOM 363 NH2 ARG A 25 -14.123 3.189 8.792 1.00 0.00 N ATOM 0 H ARG A 25 -8.422 5.624 7.581 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.884 5.532 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.281 5.719 5.410 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.383 4.385 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.345 6.767 7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.975 6.221 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.176 3.978 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.220 5.164 9.414 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.376 4.529 9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.494 2.849 6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.074 2.072 6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.467 3.690 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.736 2.542 8.295 1.00 0.00 H new ATOM 377 N THR A 26 -9.494 7.768 3.953 1.00 0.00 N ATOM 378 CA THR A 26 -9.884 9.022 3.316 1.00 0.00 C ATOM 379 C THR A 26 -10.930 8.675 2.255 1.00 0.00 C ATOM 380 O THR A 26 -11.480 7.571 2.260 1.00 0.00 O ATOM 381 CB THR A 26 -8.682 9.848 2.793 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.100 9.311 1.620 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.573 10.092 3.825 1.00 0.00 C ATOM 0 H THR A 26 -9.321 7.024 3.277 1.00 0.00 H new ATOM 0 HA THR A 26 -10.325 9.701 4.046 1.00 0.00 H new ATOM 0 HB THR A 26 -9.139 10.810 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.350 9.876 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.775 10.678 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.982 10.636 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.174 9.136 4.163 1.00 0.00 H new ATOM 391 N GLU A 27 -11.237 9.607 1.364 1.00 0.00 N ATOM 392 CA GLU A 27 -12.134 9.410 0.238 1.00 0.00 C ATOM 393 C GLU A 27 -11.586 8.369 -0.739 1.00 0.00 C ATOM 394 O GLU A 27 -12.329 7.515 -1.223 1.00 0.00 O ATOM 395 CB GLU A 27 -12.263 10.774 -0.433 1.00 0.00 C ATOM 396 CG GLU A 27 -13.402 10.873 -1.448 1.00 0.00 C ATOM 397 CD GLU A 27 -13.731 12.351 -1.645 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.939 13.064 -2.292 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.711 12.828 -1.015 1.00 0.00 O ATOM 0 H GLU A 27 -10.855 10.552 1.408 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.101 9.031 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.412 11.531 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.324 11.009 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.110 10.418 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.278 10.332 -1.091 1.00 0.00 H new ATOM 406 N LEU A 28 -10.279 8.421 -1.014 1.00 0.00 N ATOM 407 CA LEU A 28 -9.662 7.717 -2.143 1.00 0.00 C ATOM 408 C LEU A 28 -9.217 6.312 -1.793 1.00 0.00 C ATOM 409 O LEU A 28 -8.620 5.632 -2.627 1.00 0.00 O ATOM 410 CB LEU A 28 -8.523 8.570 -2.737 1.00 0.00 C ATOM 411 CG LEU A 28 -9.002 9.915 -3.323 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.796 10.768 -3.722 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.918 9.722 -4.539 1.00 0.00 C ATOM 0 H LEU A 28 -9.614 8.957 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.425 7.585 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.783 8.764 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.023 7.999 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.579 10.421 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.141 11.716 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.178 10.958 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.208 10.239 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.230 10.695 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.379 9.185 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.797 9.148 -4.245 1.00 0.00 H new ATOM 425 N GLY A 29 -9.531 5.864 -0.582 1.00 0.00 N ATOM 426 CA GLY A 29 -9.027 4.623 -0.052 1.00 0.00 C ATOM 427 C GLY A 29 -8.473 4.868 1.341 1.00 0.00 C ATOM 428 O GLY A 29 -8.759 5.906 1.950 1.00 0.00 O ATOM 0 H GLY A 29 -10.149 6.364 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.823 3.879 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.248 4.225 -0.702 1.00 0.00 H new ATOM 432 N VAL A 30 -7.677 3.943 1.864 1.00 0.00 N ATOM 433 CA VAL A 30 -6.939 4.154 3.107 1.00 0.00 C ATOM 434 C VAL A 30 -5.446 4.338 2.783 1.00 0.00 C ATOM 435 O VAL A 30 -4.915 3.688 1.882 1.00 0.00 O ATOM 436 CB VAL A 30 -7.311 3.051 4.111 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.254 1.661 3.508 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.439 3.072 5.360 1.00 0.00 C ATOM 0 H VAL A 30 -7.524 3.027 1.441 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.217 5.078 3.615 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.341 3.275 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.527 0.925 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.951 1.598 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.243 1.459 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.747 2.272 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.396 2.928 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.549 4.032 5.864 1.00 0.00 H new ATOM 448 N GLU A 31 -4.792 5.284 3.471 1.00 0.00 N ATOM 449 CA GLU A 31 -3.396 5.670 3.285 1.00 0.00 C ATOM 450 C GLU A 31 -2.534 4.462 3.640 1.00 0.00 C ATOM 451 O GLU A 31 -2.539 4.026 4.797 1.00 0.00 O ATOM 452 CB GLU A 31 -3.029 6.868 4.186 1.00 0.00 C ATOM 453 CG GLU A 31 -3.612 8.209 3.712 1.00 0.00 C ATOM 454 CD GLU A 31 -2.974 9.440 4.378 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.842 9.499 5.623 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.624 10.392 3.644 1.00 0.00 O ATOM 0 H GLU A 31 -5.248 5.824 4.206 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.228 5.976 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.380 6.669 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.943 6.953 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.486 8.287 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.684 8.217 3.909 1.00 0.00 H new ATOM 463 N PHE A 32 -1.849 3.887 2.654 1.00 0.00 N ATOM 464 CA PHE A 32 -1.026 2.709 2.822 1.00 0.00 C ATOM 465 C PHE A 32 0.349 3.058 3.336 1.00 0.00 C ATOM 466 O PHE A 32 0.565 3.488 4.474 1.00 0.00 O ATOM 467 CB PHE A 32 -1.197 1.720 1.644 1.00 0.00 C ATOM 468 CG PHE A 32 -0.733 0.280 1.901 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.607 -0.261 3.208 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.421 -0.549 0.804 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.096 -1.548 3.408 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.068 -1.850 1.008 1.00 0.00 C ATOM 473 CZ PHE A 32 0.266 -2.341 2.312 1.00 0.00 C ATOM 0 H PHE A 32 -1.856 4.241 1.698 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.381 2.087 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.251 1.697 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.649 2.110 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.910 0.330 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.559 -0.181 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.020 -1.931 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.294 -2.478 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.693 -3.321 2.466 1.00 0.00 H new ATOM 483 N LEU A 33 1.270 2.822 2.444 1.00 0.00 N ATOM 484 CA LEU A 33 2.688 3.127 2.583 1.00 0.00 C ATOM 485 C LEU A 33 2.899 4.544 2.077 1.00 0.00 C ATOM 486 O LEU A 33 2.511 4.890 0.965 1.00 0.00 O ATOM 487 CB LEU A 33 3.618 2.155 1.833 1.00 0.00 C ATOM 488 CG LEU A 33 3.881 0.813 2.532 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.415 1.015 3.956 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.639 -0.054 2.470 1.00 0.00 C ATOM 0 H LEU A 33 1.051 2.388 1.547 1.00 0.00 H new ATOM 0 HA LEU A 33 2.953 3.021 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.188 1.955 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.574 2.651 1.667 1.00 0.00 H new ATOM 0 HG LEU A 33 4.670 0.280 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.590 0.044 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.351 1.573 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.684 1.572 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.833 -1.004 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.815 0.455 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.375 -0.237 1.428 1.00 0.00 H new ATOM 502 N LYS A 34 3.578 5.356 2.865 1.00 0.00 N ATOM 503 CA LYS A 34 4.102 6.651 2.492 1.00 0.00 C ATOM 504 C LYS A 34 5.628 6.595 2.444 1.00 0.00 C ATOM 505 O LYS A 34 6.221 5.870 3.236 1.00 0.00 O ATOM 506 CB LYS A 34 3.638 7.656 3.536 1.00 0.00 C ATOM 507 CG LYS A 34 2.166 8.047 3.374 1.00 0.00 C ATOM 508 CD LYS A 34 1.846 9.396 4.030 1.00 0.00 C ATOM 509 CE LYS A 34 2.477 10.562 3.254 1.00 0.00 C ATOM 510 NZ LYS A 34 2.689 11.753 4.098 1.00 0.00 N ATOM 0 H LYS A 34 3.789 5.115 3.833 1.00 0.00 H new ATOM 0 HA LYS A 34 3.744 6.945 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.790 7.236 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.256 8.552 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.920 8.094 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.536 7.273 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.766 9.532 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.213 9.399 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.432 10.242 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.834 10.826 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.116 12.511 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.776 12.077 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.324 11.512 4.885 1.00 0.00 H new ATOM 524 N ARG A 35 6.284 7.312 1.531 1.00 0.00 N ATOM 525 CA ARG A 35 7.745 7.442 1.503 1.00 0.00 C ATOM 526 C ARG A 35 8.088 8.713 0.768 1.00 0.00 C ATOM 527 O ARG A 35 7.744 8.832 -0.404 1.00 0.00 O ATOM 528 CB ARG A 35 8.399 6.247 0.792 1.00 0.00 C ATOM 529 CG ARG A 35 9.930 6.325 0.676 1.00 0.00 C ATOM 530 CD ARG A 35 10.503 5.072 0.000 1.00 0.00 C ATOM 531 NE ARG A 35 11.914 5.248 -0.370 1.00 0.00 N ATOM 532 CZ ARG A 35 12.746 4.380 -0.967 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.373 3.134 -1.274 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.968 4.818 -1.238 1.00 0.00 N ATOM 0 H ARG A 35 5.815 7.824 0.784 1.00 0.00 H new ATOM 0 HA ARG A 35 8.121 7.468 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.135 5.335 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.977 6.162 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.209 7.209 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.367 6.437 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.407 4.220 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.920 4.841 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 35 12.318 6.156 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.429 2.816 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.032 2.501 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.234 5.772 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.642 4.201 -1.691 1.00 0.00 H new ATOM 548 N GLY A 36 8.816 9.626 1.390 1.00 0.00 N ATOM 549 CA GLY A 36 9.233 10.849 0.741 1.00 0.00 C ATOM 550 C GLY A 36 8.014 11.674 0.404 1.00 0.00 C ATOM 551 O GLY A 36 7.404 12.245 1.304 1.00 0.00 O ATOM 0 H GLY A 36 9.131 9.537 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.899 11.413 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.794 10.621 -0.165 1.00 0.00 H new ATOM 555 N ASP A 37 7.673 11.692 -0.879 1.00 0.00 N ATOM 556 CA ASP A 37 6.563 12.411 -1.499 1.00 0.00 C ATOM 557 C ASP A 37 5.735 11.395 -2.298 1.00 0.00 C ATOM 558 O ASP A 37 5.340 11.633 -3.440 1.00 0.00 O ATOM 559 CB ASP A 37 7.113 13.499 -2.429 1.00 0.00 C ATOM 560 CG ASP A 37 7.749 14.737 -1.810 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.798 14.900 -0.566 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.264 15.544 -2.617 1.00 0.00 O ATOM 0 H ASP A 37 8.207 11.163 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 37 5.940 12.889 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.856 13.035 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.295 13.832 -3.068 1.00 0.00 H new ATOM 567 N LYS A 38 5.604 10.175 -1.771 1.00 0.00 N ATOM 568 CA LYS A 38 4.867 9.089 -2.404 1.00 0.00 C ATOM 569 C LYS A 38 3.853 8.574 -1.399 1.00 0.00 C ATOM 570 O LYS A 38 4.202 8.408 -0.227 1.00 0.00 O ATOM 571 CB LYS A 38 5.843 7.974 -2.809 1.00 0.00 C ATOM 572 CG LYS A 38 6.996 8.416 -3.723 1.00 0.00 C ATOM 573 CD LYS A 38 6.566 8.902 -5.108 1.00 0.00 C ATOM 574 CE LYS A 38 5.931 7.780 -5.930 1.00 0.00 C ATOM 575 NZ LYS A 38 5.375 8.296 -7.186 1.00 0.00 N ATOM 0 H LYS A 38 6.017 9.914 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 38 4.356 9.434 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.265 7.536 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.282 7.187 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.548 9.215 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.686 7.581 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.856 9.722 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.431 9.297 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.678 7.016 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.143 7.301 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.950 7.514 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.647 9.008 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.134 8.732 -7.748 1.00 0.00 H new ATOM 589 N ILE A 39 2.634 8.282 -1.848 1.00 0.00 N ATOM 590 CA ILE A 39 1.546 7.764 -1.018 1.00 0.00 C ATOM 591 C ILE A 39 0.873 6.646 -1.799 1.00 0.00 C ATOM 592 O ILE A 39 0.215 6.892 -2.812 1.00 0.00 O ATOM 593 CB ILE A 39 0.501 8.827 -0.611 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.198 10.080 -0.051 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.480 8.178 0.397 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.229 11.118 0.525 1.00 0.00 C ATOM 0 H ILE A 39 2.368 8.402 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 39 1.976 7.412 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.070 9.164 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.898 9.778 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.784 10.544 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.228 8.911 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.974 7.327 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.071 7.839 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.792 11.972 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.456 11.449 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.340 10.672 1.341 1.00 0.00 H new ATOM 608 N VAL A 40 1.050 5.416 -1.330 1.00 0.00 N ATOM 609 CA VAL A 40 0.253 4.284 -1.770 1.00 0.00 C ATOM 610 C VAL A 40 -1.071 4.350 -1.017 1.00 0.00 C ATOM 611 O VAL A 40 -1.116 4.750 0.145 1.00 0.00 O ATOM 612 CB VAL A 40 0.999 2.949 -1.525 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.313 1.727 -2.157 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.434 2.961 -2.056 1.00 0.00 C ATOM 0 H VAL A 40 1.754 5.178 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 40 0.071 4.328 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 40 0.987 2.860 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.895 0.831 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.689 1.617 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.246 1.865 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.905 1.999 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.423 3.142 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.998 3.751 -1.561 1.00 0.00 H new ATOM 624 N TYR A 41 -2.136 3.888 -1.653 1.00 0.00 N ATOM 625 CA TYR A 41 -3.458 3.667 -1.092 1.00 0.00 C ATOM 626 C TYR A 41 -3.751 2.178 -1.226 1.00 0.00 C ATOM 627 O TYR A 41 -3.196 1.531 -2.118 1.00 0.00 O ATOM 628 CB TYR A 41 -4.469 4.524 -1.867 1.00 0.00 C ATOM 629 CG TYR A 41 -4.334 5.993 -1.528 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.323 6.748 -2.156 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.138 6.570 -0.523 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.115 8.085 -1.786 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.906 7.902 -0.127 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.896 8.664 -0.762 1.00 0.00 C ATOM 635 OH TYR A 41 -3.629 9.939 -0.360 1.00 0.00 O ATOM 0 H TYR A 41 -2.096 3.641 -2.642 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.521 3.953 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.321 4.383 -2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.481 4.189 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.709 6.297 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.926 5.995 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.357 8.672 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.499 8.342 0.661 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.253 10.195 0.351 1.00 0.00 H new ATOM 645 N HIS A 42 -4.614 1.631 -0.374 1.00 0.00 N ATOM 646 CA HIS A 42 -5.163 0.293 -0.558 1.00 0.00 C ATOM 647 C HIS A 42 -6.681 0.359 -0.396 1.00 0.00 C ATOM 648 O HIS A 42 -7.206 1.297 0.224 1.00 0.00 O ATOM 649 CB HIS A 42 -4.466 -0.725 0.356 1.00 0.00 C ATOM 650 CG HIS A 42 -4.903 -0.746 1.800 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.041 -1.343 2.292 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.189 -0.285 2.873 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.005 -1.249 3.631 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.901 -0.599 4.030 1.00 0.00 N ATOM 0 H HIS A 42 -4.952 2.104 0.464 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.964 -0.070 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.621 -1.720 -0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.394 -0.531 0.327 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.779 -1.779 1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.241 0.231 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.760 -1.642 4.295 1.00 0.00 H new ATOM 662 N THR A 43 -7.398 -0.609 -0.964 1.00 0.00 N ATOM 663 CA THR A 43 -8.853 -0.633 -0.879 1.00 0.00 C ATOM 664 C THR A 43 -9.276 -1.229 0.462 1.00 0.00 C ATOM 665 O THR A 43 -8.579 -2.072 1.040 1.00 0.00 O ATOM 666 CB THR A 43 -9.450 -1.383 -2.083 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.923 -2.680 -2.221 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.112 -0.621 -3.367 1.00 0.00 C ATOM 0 H THR A 43 -6.993 -1.386 -1.487 1.00 0.00 H new ATOM 0 HA THR A 43 -9.246 0.383 -0.923 1.00 0.00 H new ATOM 0 HB THR A 43 -10.525 -1.452 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.550 -3.330 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.532 -1.147 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.533 0.383 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.030 -0.555 -3.477 1.00 0.00 H new ATOM 676 N LEU A 44 -10.436 -0.799 0.961 1.00 0.00 N ATOM 677 CA LEU A 44 -11.020 -1.331 2.192 1.00 0.00 C ATOM 678 C LEU A 44 -11.558 -2.755 2.037 1.00 0.00 C ATOM 679 O LEU A 44 -11.802 -3.407 3.050 1.00 0.00 O ATOM 680 CB LEU A 44 -12.180 -0.439 2.657 1.00 0.00 C ATOM 681 CG LEU A 44 -11.822 1.026 2.965 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.070 1.741 3.489 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.728 1.151 4.026 1.00 0.00 C ATOM 0 H LEU A 44 -10.998 -0.070 0.521 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.212 -1.347 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.952 -0.450 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.617 -0.882 3.552 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.454 1.472 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.828 2.780 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.855 1.704 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.418 1.248 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.514 2.205 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.065 0.686 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.824 0.651 3.677 1.00 0.00 H new ATOM 695 N GLU A 45 -11.772 -3.238 0.812 1.00 0.00 N ATOM 696 CA GLU A 45 -12.414 -4.523 0.551 1.00 0.00 C ATOM 697 C GLU A 45 -11.541 -5.366 -0.379 1.00 0.00 C ATOM 698 O GLU A 45 -10.674 -4.824 -1.076 1.00 0.00 O ATOM 699 CB GLU A 45 -13.805 -4.297 -0.062 1.00 0.00 C ATOM 700 CG GLU A 45 -14.763 -3.544 0.875 1.00 0.00 C ATOM 701 CD GLU A 45 -16.021 -3.076 0.147 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.965 -1.989 -0.482 1.00 0.00 O ATOM 703 OE2 GLU A 45 -17.065 -3.760 0.263 1.00 0.00 O ATOM 0 H GLU A 45 -11.500 -2.740 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.534 -5.063 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.699 -3.736 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.242 -5.261 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.044 -4.193 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.250 -2.683 1.303 1.00 0.00 H new ATOM 710 N SER A 46 -11.787 -6.680 -0.379 1.00 0.00 N ATOM 711 CA SER A 46 -11.095 -7.656 -1.200 1.00 0.00 C ATOM 712 C SER A 46 -11.566 -7.599 -2.662 1.00 0.00 C ATOM 713 O SER A 46 -12.751 -7.325 -2.903 1.00 0.00 O ATOM 714 CB SER A 46 -11.319 -9.063 -0.618 1.00 0.00 C ATOM 715 OG SER A 46 -12.692 -9.429 -0.564 1.00 0.00 O ATOM 0 H SER A 46 -12.501 -7.100 0.217 1.00 0.00 H new ATOM 0 HA SER A 46 -10.031 -7.422 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.778 -9.791 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.897 -9.106 0.386 1.00 0.00 H new ATOM 0 HG SER A 46 -12.776 -10.330 -0.189 1.00 0.00 H new ATOM 721 N PRO A 47 -10.726 -8.037 -3.619 1.00 0.00 N ATOM 722 CA PRO A 47 -9.286 -8.168 -3.453 1.00 0.00 C ATOM 723 C PRO A 47 -8.705 -6.780 -3.231 1.00 0.00 C ATOM 724 O PRO A 47 -9.193 -5.796 -3.789 1.00 0.00 O ATOM 725 CB PRO A 47 -8.777 -8.806 -4.741 1.00 0.00 C ATOM 726 CG PRO A 47 -9.757 -8.295 -5.787 1.00 0.00 C ATOM 727 CD PRO A 47 -11.078 -8.192 -5.019 1.00 0.00 C ATOM 0 HA PRO A 47 -8.999 -8.782 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.754 -8.503 -4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.781 -9.894 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.449 -7.329 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.836 -8.980 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.665 -7.343 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.686 -9.084 -5.170 1.00 0.00 H new ATOM 735 N VAL A 48 -7.711 -6.715 -2.352 1.00 0.00 N ATOM 736 CA VAL A 48 -7.125 -5.445 -2.000 1.00 0.00 C ATOM 737 C VAL A 48 -6.268 -5.009 -3.179 1.00 0.00 C ATOM 738 O VAL A 48 -5.290 -5.667 -3.539 1.00 0.00 O ATOM 739 CB VAL A 48 -6.405 -5.516 -0.655 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.632 -4.225 -0.389 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.432 -5.723 0.467 1.00 0.00 C ATOM 0 H VAL A 48 -7.304 -7.522 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.880 -4.676 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.705 -6.351 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.126 -4.296 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.894 -4.074 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.324 -3.383 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.917 -5.774 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.135 -4.890 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.974 -6.653 0.297 1.00 0.00 H new ATOM 751 N GLU A 49 -6.691 -3.927 -3.812 1.00 0.00 N ATOM 752 CA GLU A 49 -5.933 -3.261 -4.847 1.00 0.00 C ATOM 753 C GLU A 49 -5.024 -2.249 -4.152 1.00 0.00 C ATOM 754 O GLU A 49 -5.338 -1.779 -3.054 1.00 0.00 O ATOM 755 CB GLU A 49 -6.887 -2.620 -5.869 1.00 0.00 C ATOM 756 CG GLU A 49 -7.755 -3.703 -6.534 1.00 0.00 C ATOM 757 CD GLU A 49 -8.689 -3.164 -7.616 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.236 -2.486 -8.565 1.00 0.00 O ATOM 759 OE2 GLU A 49 -9.896 -3.495 -7.605 1.00 0.00 O ATOM 0 H GLU A 49 -7.587 -3.483 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.315 -3.956 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.523 -1.886 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.315 -2.086 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.104 -4.459 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.350 -4.200 -5.768 1.00 0.00 H new ATOM 766 N PHE A 50 -3.905 -1.910 -4.791 1.00 0.00 N ATOM 767 CA PHE A 50 -2.894 -0.998 -4.274 1.00 0.00 C ATOM 768 C PHE A 50 -2.692 0.070 -5.323 1.00 0.00 C ATOM 769 O PHE A 50 -2.451 -0.288 -6.473 1.00 0.00 O ATOM 770 CB PHE A 50 -1.569 -1.736 -4.072 1.00 0.00 C ATOM 771 CG PHE A 50 -1.667 -2.960 -3.186 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.912 -2.831 -1.804 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.460 -4.230 -3.749 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.932 -3.976 -0.985 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.474 -5.359 -2.920 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.682 -5.246 -1.540 1.00 0.00 C ATOM 0 H PHE A 50 -3.673 -2.277 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.212 -0.580 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.182 -2.037 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.844 -1.046 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.084 -1.855 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.292 -4.335 -4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.139 -3.880 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.321 -6.336 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.651 -6.122 -0.909 1.00 0.00 H new ATOM 786 N HIS A 51 -2.783 1.352 -4.986 1.00 0.00 N ATOM 787 CA HIS A 51 -2.641 2.416 -5.975 1.00 0.00 C ATOM 788 C HIS A 51 -1.550 3.354 -5.502 1.00 0.00 C ATOM 789 O HIS A 51 -1.413 3.569 -4.305 1.00 0.00 O ATOM 790 CB HIS A 51 -3.943 3.191 -6.192 1.00 0.00 C ATOM 791 CG HIS A 51 -5.238 2.486 -5.878 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.552 1.208 -6.228 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.335 3.033 -5.240 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.858 0.963 -5.790 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.277 2.078 -5.162 1.00 0.00 N flip ATOM 0 H HIS A 51 -2.954 1.680 -4.036 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.384 1.967 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.899 4.097 -5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.976 3.505 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.420 4.044 -4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.423 0.053 -5.929 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.178 2.182 -4.695 1.00 0.00 H new ATOM 803 N LEU A 52 -0.786 3.906 -6.431 1.00 0.00 N ATOM 804 CA LEU A 52 0.285 4.849 -6.136 1.00 0.00 C ATOM 805 C LEU A 52 0.343 5.927 -7.197 1.00 0.00 C ATOM 806 O LEU A 52 0.478 5.613 -8.383 1.00 0.00 O ATOM 807 CB LEU A 52 1.630 4.119 -6.064 1.00 0.00 C ATOM 808 CG LEU A 52 2.837 5.053 -5.862 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.732 5.889 -4.589 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.125 4.236 -5.797 1.00 0.00 C ATOM 0 H LEU A 52 -0.893 3.710 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 52 0.081 5.313 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.599 3.400 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.773 3.550 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 52 2.847 5.733 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.611 6.528 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.836 6.508 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.674 5.229 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.973 4.905 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.070 3.536 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.252 3.683 -6.727 1.00 0.00 H new ATOM 822 N ASP A 53 0.310 7.183 -6.753 1.00 0.00 N ATOM 823 CA ASP A 53 0.386 8.424 -7.524 1.00 0.00 C ATOM 824 C ASP A 53 -0.905 8.651 -8.285 1.00 0.00 C ATOM 825 O ASP A 53 -1.581 9.661 -8.099 1.00 0.00 O ATOM 826 CB ASP A 53 1.629 8.491 -8.426 1.00 0.00 C ATOM 827 CG ASP A 53 1.982 9.949 -8.712 1.00 0.00 C ATOM 828 OD1 ASP A 53 2.322 10.666 -7.741 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.966 10.363 -9.889 1.00 0.00 O ATOM 0 H ASP A 53 0.221 7.375 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 53 0.505 9.246 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.468 7.992 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.440 7.963 -9.361 1.00 0.00 H new ATOM 834 N GLY A 54 -1.298 7.643 -9.040 1.00 0.00 N ATOM 835 CA GLY A 54 -2.610 7.436 -9.592 1.00 0.00 C ATOM 836 C GLY A 54 -2.681 6.127 -10.374 1.00 0.00 C ATOM 837 O GLY A 54 -3.676 5.882 -11.048 1.00 0.00 O ATOM 0 H GLY A 54 -0.655 6.895 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.347 7.423 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.867 8.268 -10.247 1.00 0.00 H new ATOM 841 N GLU A 55 -1.658 5.275 -10.298 1.00 0.00 N ATOM 842 CA GLU A 55 -1.522 4.015 -10.985 1.00 0.00 C ATOM 843 C GLU A 55 -1.746 2.912 -9.971 1.00 0.00 C ATOM 844 O GLU A 55 -0.996 2.789 -9.007 1.00 0.00 O ATOM 845 CB GLU A 55 -0.119 3.939 -11.586 1.00 0.00 C ATOM 846 CG GLU A 55 0.009 4.819 -12.839 1.00 0.00 C ATOM 847 CD GLU A 55 1.343 5.573 -12.878 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.392 4.923 -13.124 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.369 6.805 -12.688 1.00 0.00 O ATOM 0 H GLU A 55 -0.850 5.474 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.247 3.912 -11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.613 4.255 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.112 2.905 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.082 4.197 -13.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.813 5.535 -12.865 1.00 0.00 H new ATOM 856 N VAL A 56 -2.816 2.159 -10.165 1.00 0.00 N ATOM 857 CA VAL A 56 -3.026 0.875 -9.524 1.00 0.00 C ATOM 858 C VAL A 56 -2.012 -0.175 -9.975 1.00 0.00 C ATOM 859 O VAL A 56 -1.818 -0.427 -11.165 1.00 0.00 O ATOM 860 CB VAL A 56 -4.524 0.561 -9.402 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.376 0.901 -10.601 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.776 -0.894 -8.988 1.00 0.00 C ATOM 0 H VAL A 56 -3.578 2.431 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.758 0.885 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.847 1.240 -8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.413 0.635 -10.398 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.309 1.970 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.022 0.344 -11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.849 -1.071 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.348 -1.564 -9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.310 -1.083 -8.021 1.00 0.00 H new ATOM 872 N LEU A 57 -1.274 -0.662 -8.979 1.00 0.00 N ATOM 873 CA LEU A 57 -0.104 -1.519 -9.089 1.00 0.00 C ATOM 874 C LEU A 57 -0.506 -2.949 -8.738 1.00 0.00 C ATOM 875 O LEU A 57 -1.408 -3.143 -7.916 1.00 0.00 O ATOM 876 CB LEU A 57 0.985 -1.049 -8.105 1.00 0.00 C ATOM 877 CG LEU A 57 1.238 0.476 -8.021 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.237 0.773 -6.889 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.682 1.081 -9.365 1.00 0.00 C ATOM 0 H LEU A 57 -1.497 -0.451 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 57 0.285 -1.473 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.720 -1.405 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.922 -1.534 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 57 0.292 0.964 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.413 1.847 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.828 0.422 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.178 0.261 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.845 2.152 -9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.609 0.607 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.908 0.913 -10.113 1.00 0.00 H new ATOM 891 N SER A 58 0.200 -3.954 -9.266 1.00 0.00 N ATOM 892 CA SER A 58 -0.043 -5.338 -8.845 1.00 0.00 C ATOM 893 C SER A 58 0.504 -5.508 -7.429 1.00 0.00 C ATOM 894 O SER A 58 1.318 -4.703 -6.974 1.00 0.00 O ATOM 895 CB SER A 58 0.615 -6.367 -9.779 1.00 0.00 C ATOM 896 OG SER A 58 1.067 -5.778 -10.980 1.00 0.00 O ATOM 0 H SER A 58 0.929 -3.841 -9.970 1.00 0.00 H new ATOM 0 HA SER A 58 -1.117 -5.522 -8.882 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.455 -6.836 -9.267 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.100 -7.157 -10.009 1.00 0.00 H new ATOM 0 HG SER A 58 1.480 -6.464 -11.545 1.00 0.00 H new ATOM 902 N LEU A 59 0.139 -6.584 -6.738 1.00 0.00 N ATOM 903 CA LEU A 59 0.662 -6.856 -5.407 1.00 0.00 C ATOM 904 C LEU A 59 2.135 -7.186 -5.495 1.00 0.00 C ATOM 905 O LEU A 59 2.959 -6.657 -4.752 1.00 0.00 O ATOM 906 CB LEU A 59 -0.090 -8.040 -4.803 1.00 0.00 C ATOM 907 CG LEU A 59 0.364 -8.453 -3.381 1.00 0.00 C ATOM 908 CD1 LEU A 59 1.462 -9.467 -3.336 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.782 -7.402 -2.334 1.00 0.00 C ATOM 0 H LEU A 59 -0.520 -7.283 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 59 0.528 -5.976 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.152 -7.798 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.022 -8.898 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.619 -8.826 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.709 -9.690 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.136 -10.379 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.343 -9.072 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.063 -7.903 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.631 -6.831 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.052 -6.727 -2.143 1.00 0.00 H new ATOM 921 N ASP A 60 2.463 -8.110 -6.390 1.00 0.00 N ATOM 922 CA ASP A 60 3.828 -8.595 -6.468 1.00 0.00 C ATOM 923 C ASP A 60 4.738 -7.478 -6.991 1.00 0.00 C ATOM 924 O ASP A 60 5.862 -7.303 -6.518 1.00 0.00 O ATOM 925 CB ASP A 60 3.896 -9.816 -7.405 1.00 0.00 C ATOM 926 CG ASP A 60 4.369 -11.110 -6.731 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.751 -11.099 -5.543 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.266 -12.188 -7.370 1.00 0.00 O ATOM 0 H ASP A 60 1.815 -8.529 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 60 4.164 -8.895 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.908 -9.985 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.567 -9.586 -8.232 1.00 0.00 H new ATOM 933 N LYS A 61 4.220 -6.681 -7.939 1.00 0.00 N ATOM 934 CA LYS A 61 4.870 -5.491 -8.477 1.00 0.00 C ATOM 935 C LYS A 61 5.103 -4.509 -7.353 1.00 0.00 C ATOM 936 O LYS A 61 6.241 -4.093 -7.185 1.00 0.00 O ATOM 937 CB LYS A 61 4.041 -4.842 -9.602 1.00 0.00 C ATOM 938 CG LYS A 61 4.847 -4.736 -10.900 1.00 0.00 C ATOM 939 CD LYS A 61 4.010 -4.176 -12.060 1.00 0.00 C ATOM 940 CE LYS A 61 4.813 -4.237 -13.365 1.00 0.00 C ATOM 941 NZ LYS A 61 3.997 -3.892 -14.550 1.00 0.00 N ATOM 0 H LYS A 61 3.308 -6.859 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 61 5.823 -5.785 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.140 -5.430 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.717 -3.849 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.713 -4.094 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.227 -5.721 -11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.088 -4.749 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.723 -3.146 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.659 -3.553 -13.299 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.222 -5.240 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.586 -3.948 -15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.204 -4.559 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.627 -2.925 -14.447 1.00 0.00 H new ATOM 955 N LEU A 62 4.069 -4.186 -6.567 1.00 0.00 N ATOM 956 CA LEU A 62 4.123 -3.237 -5.466 1.00 0.00 C ATOM 957 C LEU A 62 5.377 -3.492 -4.648 1.00 0.00 C ATOM 958 O LEU A 62 6.179 -2.583 -4.504 1.00 0.00 O ATOM 959 CB LEU A 62 2.858 -3.311 -4.601 1.00 0.00 C ATOM 960 CG LEU A 62 2.939 -2.455 -3.328 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.990 -0.960 -3.645 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.721 -2.704 -2.453 1.00 0.00 C ATOM 0 H LEU A 62 3.143 -4.596 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 62 4.165 -2.225 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.002 -2.988 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.678 -4.349 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 62 3.856 -2.742 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.047 -0.393 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.868 -0.747 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.091 -0.673 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.788 -2.092 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.818 -2.441 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.683 -3.757 -2.174 1.00 0.00 H new ATOM 974 N LYS A 63 5.607 -4.715 -4.162 1.00 0.00 N ATOM 975 CA LYS A 63 6.782 -4.962 -3.321 1.00 0.00 C ATOM 976 C LYS A 63 8.091 -4.582 -4.022 1.00 0.00 C ATOM 977 O LYS A 63 8.943 -3.925 -3.426 1.00 0.00 O ATOM 978 CB LYS A 63 6.842 -6.420 -2.869 1.00 0.00 C ATOM 979 CG LYS A 63 5.605 -6.834 -2.068 1.00 0.00 C ATOM 980 CD LYS A 63 5.828 -8.237 -1.508 1.00 0.00 C ATOM 981 CE LYS A 63 4.495 -8.925 -1.219 1.00 0.00 C ATOM 982 NZ LYS A 63 4.674 -10.387 -1.236 1.00 0.00 N ATOM 0 H LYS A 63 5.015 -5.528 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 63 6.673 -4.322 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.938 -7.065 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.733 -6.573 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.427 -6.128 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.720 -6.818 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.402 -8.830 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.418 -8.179 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.114 -8.607 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.755 -8.631 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.764 -10.850 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.018 -10.684 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.366 -10.660 -0.510 1.00 0.00 H new ATOM 996 N SER A 64 8.224 -4.955 -5.296 1.00 0.00 N ATOM 997 CA SER A 64 9.356 -4.566 -6.131 1.00 0.00 C ATOM 998 C SER A 64 9.456 -3.046 -6.286 1.00 0.00 C ATOM 999 O SER A 64 10.570 -2.528 -6.258 1.00 0.00 O ATOM 1000 CB SER A 64 9.269 -5.218 -7.521 1.00 0.00 C ATOM 1001 OG SER A 64 10.031 -6.411 -7.557 1.00 0.00 O ATOM 0 H SER A 64 7.542 -5.540 -5.779 1.00 0.00 H new ATOM 0 HA SER A 64 10.254 -4.920 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.229 -5.436 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.633 -4.524 -8.278 1.00 0.00 H new ATOM 0 HG SER A 64 9.964 -6.815 -8.447 1.00 0.00 H new ATOM 1007 N LEU A 65 8.331 -2.355 -6.489 1.00 0.00 N ATOM 1008 CA LEU A 65 8.256 -0.910 -6.674 1.00 0.00 C ATOM 1009 C LEU A 65 8.603 -0.165 -5.384 1.00 0.00 C ATOM 1010 O LEU A 65 9.171 0.928 -5.443 1.00 0.00 O ATOM 1011 CB LEU A 65 6.848 -0.498 -7.146 1.00 0.00 C ATOM 1012 CG LEU A 65 6.357 -1.026 -8.513 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.983 -0.438 -8.802 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.323 -0.710 -9.657 1.00 0.00 C ATOM 0 H LEU A 65 7.417 -2.806 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 65 8.986 -0.639 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.134 -0.820 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.811 0.591 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 65 6.303 -2.113 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.626 -0.804 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.287 -0.738 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.051 0.650 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.923 -1.106 -10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.444 0.370 -9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.291 -1.168 -9.453 1.00 0.00 H new ATOM 1026 N LEU A 66 8.258 -0.736 -4.227 1.00 0.00 N ATOM 1027 CA LEU A 66 8.502 -0.143 -2.916 1.00 0.00 C ATOM 1028 C LEU A 66 9.973 -0.224 -2.512 1.00 0.00 C ATOM 1029 O LEU A 66 10.388 0.516 -1.617 1.00 0.00 O ATOM 1030 CB LEU A 66 7.668 -0.844 -1.830 1.00 0.00 C ATOM 1031 CG LEU A 66 6.149 -0.631 -1.931 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.415 -1.502 -0.914 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.751 0.804 -1.663 1.00 0.00 C ATOM 0 H LEU A 66 7.792 -1.642 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 66 8.212 0.904 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.872 -1.914 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.004 -0.493 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 66 5.875 -0.900 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.341 -1.337 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.638 -2.552 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.742 -1.240 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.669 0.903 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.065 1.087 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.232 1.457 -2.391 1.00 0.00 H new ATOM 1045 N SER A 67 10.742 -1.134 -3.112 1.00 0.00 N ATOM 1046 CA SER A 67 12.163 -1.272 -2.834 1.00 0.00 C ATOM 1047 C SER A 67 12.835 0.092 -3.033 1.00 0.00 C ATOM 1048 O SER A 67 13.437 0.601 -2.058 1.00 0.00 O ATOM 1049 CB SER A 67 12.697 -2.403 -3.726 1.00 0.00 C ATOM 1050 OG SER A 67 14.033 -2.774 -3.430 1.00 0.00 O ATOM 0 H SER A 67 10.391 -1.795 -3.805 1.00 0.00 H new ATOM 0 HA SER A 67 12.381 -1.555 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.053 -3.276 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.637 -2.091 -4.769 1.00 0.00 H new ATOM 0 HG SER A 67 14.312 -3.497 -4.029 1.00 0.00 H new