USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 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 Single : A 1 GLY N :NH3+ -142:sc= 1.26 (180deg=-0.139) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0836 F(o=-0.8,f=-0.084) USER MOD Single : A 9 THR OG1 : rot -55:sc= 0.301 USER MOD Single : A 11 SER OG : rot 180:sc= 0 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 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -59:sc= 1.36 USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0406 (180deg=-0.452) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.14) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-3.6!) USER MOD Single : A 43 THR OG1 : rot 96:sc= -0.0127 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00034 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.28 F(o=-2.1,f=-1.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 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 -21:sc= 0.0491 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.147 -13.610 1.370 1.00 0.00 N ATOM 2 CA GLY A 1 -6.393 -12.741 0.461 1.00 0.00 C ATOM 3 C GLY A 1 -4.909 -12.714 0.780 1.00 0.00 C ATOM 4 O GLY A 1 -4.507 -12.611 1.941 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.890 -14.107 0.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.504 -14.305 1.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.583 -13.034 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.535 -13.083 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.792 -11.728 0.517 1.00 0.00 H new ATOM 8 N SER A 2 -4.085 -12.774 -0.267 1.00 0.00 N ATOM 9 CA SER A 2 -2.635 -12.569 -0.242 1.00 0.00 C ATOM 10 C SER A 2 -2.300 -11.090 -0.020 1.00 0.00 C ATOM 11 O SER A 2 -1.344 -10.714 0.657 1.00 0.00 O ATOM 12 CB SER A 2 -2.072 -12.943 -1.621 1.00 0.00 C ATOM 13 OG SER A 2 -2.691 -14.081 -2.198 1.00 0.00 O ATOM 0 H SER A 2 -4.429 -12.978 -1.205 1.00 0.00 H new ATOM 0 HA SER A 2 -2.213 -13.175 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.191 -12.095 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.002 -13.129 -1.529 1.00 0.00 H new ATOM 0 HG SER A 2 -2.289 -14.264 -3.073 1.00 0.00 H new ATOM 19 N GLU A 3 -3.096 -10.258 -0.676 1.00 0.00 N ATOM 20 CA GLU A 3 -3.117 -8.816 -0.712 1.00 0.00 C ATOM 21 C GLU A 3 -3.499 -8.294 0.681 1.00 0.00 C ATOM 22 O GLU A 3 -2.809 -7.441 1.234 1.00 0.00 O ATOM 23 CB GLU A 3 -4.121 -8.368 -1.803 1.00 0.00 C ATOM 24 CG GLU A 3 -4.111 -9.138 -3.142 1.00 0.00 C ATOM 25 CD GLU A 3 -4.939 -10.439 -3.132 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.349 -10.919 -2.054 1.00 0.00 O ATOM 27 OE2 GLU A 3 -5.141 -11.036 -4.211 1.00 0.00 O ATOM 0 H GLU A 3 -3.835 -10.636 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.139 -8.405 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.125 -8.435 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.936 -7.316 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.492 -8.484 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.080 -9.379 -3.401 1.00 0.00 H new ATOM 34 N GLU A 4 -4.539 -8.877 1.290 1.00 0.00 N ATOM 35 CA GLU A 4 -4.986 -8.587 2.657 1.00 0.00 C ATOM 36 C GLU A 4 -3.848 -8.828 3.655 1.00 0.00 C ATOM 37 O GLU A 4 -3.656 -8.067 4.604 1.00 0.00 O ATOM 38 CB GLU A 4 -6.179 -9.484 3.035 1.00 0.00 C ATOM 39 CG GLU A 4 -7.373 -9.395 2.071 1.00 0.00 C ATOM 40 CD GLU A 4 -8.513 -10.349 2.457 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.215 -11.519 2.798 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.696 -9.952 2.326 1.00 0.00 O ATOM 0 H GLU A 4 -5.110 -9.586 0.830 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.290 -7.541 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.840 -10.519 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.516 -9.216 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.749 -8.372 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.037 -9.625 1.060 1.00 0.00 H new ATOM 49 N HIS A 5 -3.067 -9.881 3.421 1.00 0.00 N ATOM 50 CA HIS A 5 -1.943 -10.246 4.265 1.00 0.00 C ATOM 51 C HIS A 5 -0.827 -9.204 4.133 1.00 0.00 C ATOM 52 O HIS A 5 -0.166 -8.907 5.130 1.00 0.00 O ATOM 53 CB HIS A 5 -1.510 -11.678 3.913 1.00 0.00 C ATOM 54 CG HIS A 5 -0.116 -12.081 4.331 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.577 -11.692 5.447 1.00 0.00 N flip ATOM 56 CD2 HIS A 5 0.679 -12.963 3.643 1.00 0.00 C flip ATOM 57 CE1 HIS A 5 1.840 -12.284 5.390 1.00 0.00 C flip ATOM 58 NE2 HIS A 5 1.831 -13.088 4.316 1.00 0.00 N flip ATOM 0 H HIS A 5 -3.203 -10.509 2.629 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.220 -10.245 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.217 -12.370 4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.593 -11.804 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.422 -13.467 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.661 -12.126 6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.595 -13.708 4.049 1.00 0.00 H new ATOM 66 N PHE A 6 -0.616 -8.585 2.966 1.00 0.00 N ATOM 67 CA PHE A 6 0.330 -7.483 2.871 1.00 0.00 C ATOM 68 C PHE A 6 -0.097 -6.318 3.768 1.00 0.00 C ATOM 69 O PHE A 6 0.714 -5.760 4.509 1.00 0.00 O ATOM 70 CB PHE A 6 0.528 -7.015 1.427 1.00 0.00 C ATOM 71 CG PHE A 6 1.739 -6.119 1.196 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.794 -6.037 2.125 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.836 -5.384 0.005 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.944 -5.292 1.838 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.014 -4.683 -0.309 1.00 0.00 C ATOM 76 CZ PHE A 6 4.070 -4.633 0.611 1.00 0.00 C ATOM 0 H PHE A 6 -1.082 -8.827 2.092 1.00 0.00 H new ATOM 0 HA PHE A 6 1.292 -7.855 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.618 -7.892 0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.366 -6.479 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.715 -6.555 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.999 -5.356 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.738 -5.226 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.105 -4.182 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.973 -4.090 0.374 1.00 0.00 H new ATOM 86 N VAL A 7 -1.387 -5.986 3.729 1.00 0.00 N ATOM 87 CA VAL A 7 -1.970 -4.948 4.561 1.00 0.00 C ATOM 88 C VAL A 7 -1.797 -5.270 6.043 1.00 0.00 C ATOM 89 O VAL A 7 -1.570 -4.353 6.833 1.00 0.00 O ATOM 90 CB VAL A 7 -3.431 -4.718 4.135 1.00 0.00 C ATOM 91 CG1 VAL A 7 -4.221 -3.847 5.110 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.427 -4.065 2.753 1.00 0.00 C ATOM 0 H VAL A 7 -2.060 -6.439 3.110 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.442 -4.006 4.414 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.928 -5.688 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.242 -3.727 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.239 -4.323 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.747 -2.869 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.453 -3.892 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.897 -3.114 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.928 -4.723 2.041 1.00 0.00 H new ATOM 102 N GLU A 8 -1.870 -6.540 6.446 1.00 0.00 N ATOM 103 CA GLU A 8 -1.523 -6.912 7.807 1.00 0.00 C ATOM 104 C GLU A 8 -0.027 -6.700 8.047 1.00 0.00 C ATOM 105 O GLU A 8 0.335 -6.009 8.993 1.00 0.00 O ATOM 106 CB GLU A 8 -1.982 -8.336 8.152 1.00 0.00 C ATOM 107 CG GLU A 8 -1.514 -8.678 9.576 1.00 0.00 C ATOM 108 CD GLU A 8 -2.282 -9.823 10.223 1.00 0.00 C ATOM 109 OE1 GLU A 8 -3.307 -9.549 10.886 1.00 0.00 O ATOM 110 OE2 GLU A 8 -1.771 -10.969 10.191 1.00 0.00 O ATOM 0 H GLU A 8 -2.163 -7.316 5.853 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.064 -6.257 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.067 -8.409 8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.569 -9.049 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.455 -8.935 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.610 -7.791 10.202 1.00 0.00 H new ATOM 117 N THR A 9 0.858 -7.268 7.226 1.00 0.00 N ATOM 118 CA THR A 9 2.267 -7.378 7.576 1.00 0.00 C ATOM 119 C THR A 9 2.910 -6.003 7.766 1.00 0.00 C ATOM 120 O THR A 9 3.739 -5.817 8.664 1.00 0.00 O ATOM 121 CB THR A 9 3.048 -8.183 6.526 1.00 0.00 C ATOM 122 OG1 THR A 9 2.462 -8.283 5.241 1.00 0.00 O ATOM 123 CG2 THR A 9 3.340 -9.607 6.992 1.00 0.00 C ATOM 0 H THR A 9 0.619 -7.658 6.314 1.00 0.00 H new ATOM 0 HA THR A 9 2.313 -7.912 8.525 1.00 0.00 H new ATOM 0 HB THR A 9 3.955 -7.588 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.558 -8.652 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.893 -10.137 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.934 -9.576 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.401 -10.126 7.187 1.00 0.00 H new ATOM 131 N VAL A 10 2.537 -5.039 6.927 1.00 0.00 N ATOM 132 CA VAL A 10 3.020 -3.678 7.056 1.00 0.00 C ATOM 133 C VAL A 10 2.416 -3.015 8.297 1.00 0.00 C ATOM 134 O VAL A 10 3.119 -2.255 8.958 1.00 0.00 O ATOM 135 CB VAL A 10 2.746 -2.917 5.751 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.042 -1.436 5.877 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.589 -3.462 4.606 1.00 0.00 C ATOM 0 H VAL A 10 1.896 -5.184 6.147 1.00 0.00 H new ATOM 0 HA VAL A 10 4.099 -3.666 7.209 1.00 0.00 H new ATOM 0 HB VAL A 10 1.685 -3.058 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.833 -0.941 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.415 -1.005 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.091 -1.295 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.372 -2.902 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.646 -3.360 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.353 -4.515 4.450 1.00 0.00 H new ATOM 147 N SER A 11 1.166 -3.315 8.663 1.00 0.00 N ATOM 148 CA SER A 11 0.569 -2.824 9.900 1.00 0.00 C ATOM 149 C SER A 11 1.382 -3.284 11.108 1.00 0.00 C ATOM 150 O SER A 11 1.601 -2.505 12.036 1.00 0.00 O ATOM 151 CB SER A 11 -0.922 -3.214 9.954 1.00 0.00 C ATOM 152 OG SER A 11 -1.372 -3.814 11.159 1.00 0.00 O ATOM 0 H SER A 11 0.544 -3.904 8.109 1.00 0.00 H new ATOM 0 HA SER A 11 0.600 -1.735 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.517 -2.318 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.126 -3.901 9.133 1.00 0.00 H new ATOM 0 HG SER A 11 -2.328 -4.018 11.086 1.00 0.00 H new ATOM 158 N LEU A 12 1.883 -4.519 11.087 1.00 0.00 N ATOM 159 CA LEU A 12 2.680 -5.046 12.183 1.00 0.00 C ATOM 160 C LEU A 12 3.985 -4.269 12.294 1.00 0.00 C ATOM 161 O LEU A 12 4.375 -3.885 13.396 1.00 0.00 O ATOM 162 CB LEU A 12 2.952 -6.549 12.017 1.00 0.00 C ATOM 163 CG LEU A 12 1.675 -7.390 11.857 1.00 0.00 C ATOM 164 CD1 LEU A 12 2.040 -8.870 11.688 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.721 -7.225 13.042 1.00 0.00 C ATOM 0 H LEU A 12 1.747 -5.173 10.316 1.00 0.00 H new ATOM 0 HA LEU A 12 2.112 -4.923 13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.589 -6.701 11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.507 -6.907 12.884 1.00 0.00 H new ATOM 0 HG LEU A 12 1.159 -7.031 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.130 -9.459 11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.663 -8.992 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.587 -9.212 12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.166 -7.838 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.221 -7.540 13.958 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.428 -6.179 13.130 1.00 0.00 H new ATOM 177 N ALA A 13 4.673 -4.045 11.175 1.00 0.00 N ATOM 178 CA ALA A 13 5.912 -3.277 11.151 1.00 0.00 C ATOM 179 C ALA A 13 5.684 -1.794 11.475 1.00 0.00 C ATOM 180 O ALA A 13 6.577 -1.128 11.996 1.00 0.00 O ATOM 181 CB ALA A 13 6.542 -3.427 9.766 1.00 0.00 C ATOM 0 H ALA A 13 4.385 -4.392 10.260 1.00 0.00 H new ATOM 0 HA ALA A 13 6.578 -3.665 11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.472 -2.859 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.751 -4.479 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.853 -3.049 9.010 1.00 0.00 H new ATOM 187 N GLY A 14 4.508 -1.263 11.138 1.00 0.00 N ATOM 188 CA GLY A 14 4.268 0.166 11.022 1.00 0.00 C ATOM 189 C GLY A 14 5.007 0.765 9.822 1.00 0.00 C ATOM 190 O GLY A 14 5.098 1.988 9.709 1.00 0.00 O ATOM 0 H GLY A 14 3.684 -1.829 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.198 0.349 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.591 0.665 11.935 1.00 0.00 H new ATOM 194 N SER A 15 5.570 -0.049 8.921 1.00 0.00 N ATOM 195 CA SER A 15 6.485 0.429 7.898 1.00 0.00 C ATOM 196 C SER A 15 6.786 -0.679 6.882 1.00 0.00 C ATOM 197 O SER A 15 6.316 -1.809 7.033 1.00 0.00 O ATOM 198 CB SER A 15 7.727 0.966 8.629 1.00 0.00 C ATOM 199 OG SER A 15 8.709 -0.022 8.833 1.00 0.00 O ATOM 0 H SER A 15 5.399 -1.054 8.887 1.00 0.00 H new ATOM 0 HA SER A 15 6.055 1.236 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.157 1.785 8.052 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.426 1.378 9.593 1.00 0.00 H new ATOM 0 HG SER A 15 9.476 0.371 9.299 1.00 0.00 H new ATOM 205 N TYR A 16 7.527 -0.369 5.814 1.00 0.00 N ATOM 206 CA TYR A 16 7.958 -1.363 4.827 1.00 0.00 C ATOM 207 C TYR A 16 9.128 -0.851 4.006 1.00 0.00 C ATOM 208 O TYR A 16 9.006 0.227 3.437 1.00 0.00 O ATOM 209 CB TYR A 16 6.805 -1.657 3.865 1.00 0.00 C ATOM 210 CG TYR A 16 7.068 -2.868 3.008 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.009 -4.141 3.594 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.420 -2.729 1.655 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.271 -5.283 2.826 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.637 -3.872 0.866 1.00 0.00 C ATOM 215 CZ TYR A 16 7.582 -5.156 1.454 1.00 0.00 C ATOM 216 OH TYR A 16 7.817 -6.262 0.700 1.00 0.00 O ATOM 0 H TYR A 16 7.845 0.578 5.609 1.00 0.00 H new ATOM 0 HA TYR A 16 8.260 -2.260 5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.889 -1.811 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.640 -0.791 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.761 -4.241 4.640 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.524 -1.745 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.235 -6.261 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.846 -3.769 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 16 8.015 -5.994 -0.222 1.00 0.00 H new ATOM 226 N ARG A 17 10.192 -1.641 3.816 1.00 0.00 N ATOM 227 CA ARG A 17 11.406 -1.294 3.068 1.00 0.00 C ATOM 228 C ARG A 17 12.108 -0.080 3.661 1.00 0.00 C ATOM 229 O ARG A 17 12.998 -0.219 4.494 1.00 0.00 O ATOM 230 CB ARG A 17 11.087 -1.139 1.571 1.00 0.00 C ATOM 231 CG ARG A 17 10.719 -2.488 0.974 1.00 0.00 C ATOM 232 CD ARG A 17 11.908 -3.402 0.744 1.00 0.00 C ATOM 233 NE ARG A 17 13.071 -2.800 0.062 1.00 0.00 N ATOM 234 CZ ARG A 17 14.295 -3.328 -0.057 1.00 0.00 C ATOM 235 NH1 ARG A 17 14.595 -4.492 0.503 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.212 -2.690 -0.771 1.00 0.00 N ATOM 0 H ARG A 17 10.231 -2.586 4.199 1.00 0.00 H new ATOM 0 HA ARG A 17 12.117 -2.115 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.264 -0.437 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.949 -0.724 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.012 -2.987 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.207 -2.327 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.238 -3.785 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.573 -4.259 0.159 1.00 0.00 H new ATOM 0 HE ARG A 17 12.926 -1.884 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.888 -5.000 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.533 -4.880 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.982 -1.805 -1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.148 -3.084 -0.868 1.00 0.00 H new ATOM 250 N ASP A 18 11.656 1.090 3.239 1.00 0.00 N ATOM 251 CA ASP A 18 12.062 2.411 3.730 1.00 0.00 C ATOM 252 C ASP A 18 10.876 3.369 3.889 1.00 0.00 C ATOM 253 O ASP A 18 11.045 4.574 4.067 1.00 0.00 O ATOM 254 CB ASP A 18 13.086 3.028 2.771 1.00 0.00 C ATOM 255 CG ASP A 18 14.261 3.723 3.465 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.257 3.904 4.707 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.219 4.047 2.718 1.00 0.00 O ATOM 0 H ASP A 18 10.954 1.154 2.501 1.00 0.00 H new ATOM 0 HA ASP A 18 12.502 2.265 4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.475 2.245 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.578 3.750 2.132 1.00 0.00 H new ATOM 262 N TRP A 19 9.662 2.858 3.708 1.00 0.00 N ATOM 263 CA TRP A 19 8.413 3.581 3.785 1.00 0.00 C ATOM 264 C TRP A 19 7.836 3.423 5.183 1.00 0.00 C ATOM 265 O TRP A 19 8.177 2.476 5.893 1.00 0.00 O ATOM 266 CB TRP A 19 7.385 2.996 2.799 1.00 0.00 C ATOM 267 CG TRP A 19 7.738 2.934 1.352 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.786 2.286 0.803 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.036 3.552 0.238 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.822 2.498 -0.556 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.764 3.283 -0.956 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.855 4.309 0.109 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.329 3.742 -2.207 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.407 4.783 -1.130 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.154 4.512 -2.291 1.00 0.00 C ATOM 0 H TRP A 19 9.524 1.871 3.492 1.00 0.00 H new ATOM 0 HA TRP A 19 8.607 4.626 3.545 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.152 1.983 3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.469 3.579 2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.496 1.686 1.352 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.535 2.124 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.277 4.531 0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.891 3.507 -3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.492 5.354 -1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.826 4.895 -3.246 1.00 0.00 H new ATOM 286 N SER A 20 6.863 4.263 5.506 1.00 0.00 N ATOM 287 CA SER A 20 6.101 4.288 6.740 1.00 0.00 C ATOM 288 C SER A 20 4.679 3.864 6.409 1.00 0.00 C ATOM 289 O SER A 20 4.178 4.217 5.348 1.00 0.00 O ATOM 290 CB SER A 20 6.066 5.738 7.218 1.00 0.00 C ATOM 291 OG SER A 20 7.131 5.994 8.112 1.00 0.00 O ATOM 0 H SER A 20 6.566 4.997 4.863 1.00 0.00 H new ATOM 0 HA SER A 20 6.534 3.634 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.133 6.410 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.115 5.941 7.710 1.00 0.00 H new ATOM 0 HG SER A 20 7.094 6.928 8.406 1.00 0.00 H new ATOM 297 N TYR A 21 4.020 3.130 7.294 1.00 0.00 N ATOM 298 CA TYR A 21 2.576 2.895 7.250 1.00 0.00 C ATOM 299 C TYR A 21 1.807 4.196 7.563 1.00 0.00 C ATOM 300 O TYR A 21 2.402 5.236 7.861 1.00 0.00 O ATOM 301 CB TYR A 21 2.287 1.745 8.229 1.00 0.00 C ATOM 302 CG TYR A 21 0.851 1.268 8.348 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.230 0.566 7.292 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.138 1.504 9.537 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.098 0.116 7.420 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.193 1.077 9.662 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.824 0.403 8.597 1.00 0.00 C ATOM 308 OH TYR A 21 -3.135 0.057 8.716 1.00 0.00 O ATOM 0 H TYR A 21 4.479 2.670 8.080 1.00 0.00 H new ATOM 0 HA TYR A 21 2.233 2.603 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.901 0.893 7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.621 2.055 9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.777 0.373 6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.617 2.016 10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.559 -0.446 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.735 1.265 10.577 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.468 0.334 9.595 1.00 0.00 H new ATOM 318 N SER A 22 0.483 4.142 7.439 1.00 0.00 N ATOM 319 CA SER A 22 -0.487 5.176 7.779 1.00 0.00 C ATOM 320 C SER A 22 -1.730 4.480 8.364 1.00 0.00 C ATOM 321 O SER A 22 -1.678 4.014 9.498 1.00 0.00 O ATOM 322 CB SER A 22 -0.727 6.097 6.575 1.00 0.00 C ATOM 323 OG SER A 22 -1.728 7.067 6.832 1.00 0.00 O ATOM 0 H SER A 22 0.027 3.308 7.069 1.00 0.00 H new ATOM 0 HA SER A 22 -0.126 5.855 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.204 6.599 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.018 5.497 5.713 1.00 0.00 H new ATOM 0 HG SER A 22 -1.633 7.810 6.200 1.00 0.00 H new ATOM 329 N GLY A 23 -2.874 4.479 7.670 1.00 0.00 N ATOM 330 CA GLY A 23 -4.153 3.974 8.179 1.00 0.00 C ATOM 331 C GLY A 23 -5.264 5.032 8.155 1.00 0.00 C ATOM 332 O GLY A 23 -6.350 4.821 8.698 1.00 0.00 O ATOM 0 H GLY A 23 -2.937 4.838 6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.462 3.116 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.017 3.620 9.201 1.00 0.00 H new ATOM 336 N GLN A 24 -5.018 6.185 7.532 1.00 0.00 N ATOM 337 CA GLN A 24 -6.012 7.226 7.295 1.00 0.00 C ATOM 338 C GLN A 24 -6.956 6.740 6.201 1.00 0.00 C ATOM 339 O GLN A 24 -6.557 6.669 5.041 1.00 0.00 O ATOM 340 CB GLN A 24 -5.273 8.500 6.871 1.00 0.00 C ATOM 341 CG GLN A 24 -6.155 9.698 6.487 1.00 0.00 C ATOM 342 CD GLN A 24 -6.409 10.648 7.653 1.00 0.00 C ATOM 343 OE1 GLN A 24 -5.652 11.594 7.872 1.00 0.00 O ATOM 344 NE2 GLN A 24 -7.467 10.426 8.417 1.00 0.00 N ATOM 0 H GLN A 24 -4.095 6.425 7.169 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.597 7.442 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.618 8.804 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.633 8.259 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.679 10.247 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.110 9.333 6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.082 9.637 8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.667 11.044 9.203 1.00 0.00 H new ATOM 353 N ARG A 25 -8.191 6.359 6.537 1.00 0.00 N ATOM 354 CA ARG A 25 -9.197 6.157 5.495 1.00 0.00 C ATOM 355 C ARG A 25 -9.489 7.492 4.817 1.00 0.00 C ATOM 356 O ARG A 25 -9.581 8.511 5.496 1.00 0.00 O ATOM 357 CB ARG A 25 -10.447 5.430 5.955 1.00 0.00 C ATOM 358 CG ARG A 25 -11.005 5.979 7.248 1.00 0.00 C ATOM 359 CD ARG A 25 -10.524 5.162 8.451 1.00 0.00 C ATOM 360 NE ARG A 25 -11.504 4.164 8.888 1.00 0.00 N ATOM 361 CZ ARG A 25 -11.335 3.287 9.882 1.00 0.00 C ATOM 362 NH1 ARG A 25 -10.166 3.158 10.501 1.00 0.00 N ATOM 363 NH2 ARG A 25 -12.357 2.530 10.252 1.00 0.00 N ATOM 0 H ARG A 25 -8.511 6.189 7.491 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.776 5.470 4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.208 5.500 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.219 4.372 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.700 7.019 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.094 5.969 7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.591 4.660 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.306 5.837 9.279 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.393 4.136 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.374 3.736 10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.061 2.482 11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.257 2.621 9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.244 1.856 11.009 1.00 0.00 H new ATOM 377 N THR A 26 -9.639 7.482 3.497 1.00 0.00 N ATOM 378 CA THR A 26 -9.995 8.651 2.708 1.00 0.00 C ATOM 379 C THR A 26 -10.952 8.212 1.594 1.00 0.00 C ATOM 380 O THR A 26 -11.165 7.011 1.368 1.00 0.00 O ATOM 381 CB THR A 26 -8.730 9.334 2.134 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.183 8.587 1.069 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.605 9.604 3.137 1.00 0.00 C ATOM 0 H THR A 26 -9.513 6.640 2.935 1.00 0.00 H new ATOM 0 HA THR A 26 -10.492 9.388 3.339 1.00 0.00 H new ATOM 0 HB THR A 26 -9.102 10.303 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.956 7.687 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.770 10.084 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.972 10.259 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.271 8.662 3.572 1.00 0.00 H new ATOM 391 N GLU A 27 -11.459 9.176 0.826 1.00 0.00 N ATOM 392 CA GLU A 27 -12.144 8.945 -0.442 1.00 0.00 C ATOM 393 C GLU A 27 -11.320 8.102 -1.415 1.00 0.00 C ATOM 394 O GLU A 27 -11.874 7.305 -2.175 1.00 0.00 O ATOM 395 CB GLU A 27 -12.516 10.293 -1.071 1.00 0.00 C ATOM 396 CG GLU A 27 -11.396 11.337 -1.234 1.00 0.00 C ATOM 397 CD GLU A 27 -11.884 12.719 -0.792 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.201 12.878 0.416 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.990 13.625 -1.654 1.00 0.00 O ATOM 0 H GLU A 27 -11.402 10.163 1.076 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.047 8.372 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.940 10.098 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.306 10.739 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.529 11.044 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.074 11.374 -2.275 1.00 0.00 H new ATOM 406 N LEU A 28 -9.997 8.235 -1.371 1.00 0.00 N ATOM 407 CA LEU A 28 -9.049 7.616 -2.296 1.00 0.00 C ATOM 408 C LEU A 28 -8.621 6.227 -1.841 1.00 0.00 C ATOM 409 O LEU A 28 -7.712 5.645 -2.430 1.00 0.00 O ATOM 410 CB LEU A 28 -7.868 8.582 -2.509 1.00 0.00 C ATOM 411 CG LEU A 28 -8.321 9.872 -3.225 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.399 11.047 -2.906 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.449 9.651 -4.733 1.00 0.00 C ATOM 0 H LEU A 28 -9.535 8.801 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.533 7.448 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.424 8.835 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.094 8.089 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.310 10.128 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.750 11.937 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.403 11.231 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.385 10.812 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.770 10.577 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.484 9.348 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.185 8.870 -4.925 1.00 0.00 H new ATOM 425 N GLY A 29 -9.301 5.671 -0.838 1.00 0.00 N ATOM 426 CA GLY A 29 -8.901 4.430 -0.204 1.00 0.00 C ATOM 427 C GLY A 29 -8.253 4.765 1.130 1.00 0.00 C ATOM 428 O GLY A 29 -8.170 5.941 1.501 1.00 0.00 O ATOM 0 H GLY A 29 -10.150 6.078 -0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.766 3.784 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.202 3.886 -0.840 1.00 0.00 H new ATOM 432 N VAL A 30 -7.837 3.761 1.896 1.00 0.00 N ATOM 433 CA VAL A 30 -7.022 4.062 3.077 1.00 0.00 C ATOM 434 C VAL A 30 -5.561 4.270 2.651 1.00 0.00 C ATOM 435 O VAL A 30 -5.066 3.575 1.763 1.00 0.00 O ATOM 436 CB VAL A 30 -7.273 3.026 4.185 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.064 1.607 3.700 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.411 3.216 5.433 1.00 0.00 C ATOM 0 H VAL A 30 -8.037 2.774 1.736 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.316 5.006 3.537 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.316 3.194 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.253 0.911 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.751 1.398 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.038 1.489 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.652 2.443 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.358 3.143 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.607 4.197 5.865 1.00 0.00 H new ATOM 448 N GLU A 31 -4.887 5.256 3.256 1.00 0.00 N ATOM 449 CA GLU A 31 -3.459 5.514 3.104 1.00 0.00 C ATOM 450 C GLU A 31 -2.697 4.264 3.551 1.00 0.00 C ATOM 451 O GLU A 31 -2.814 3.843 4.705 1.00 0.00 O ATOM 452 CB GLU A 31 -3.005 6.726 3.947 1.00 0.00 C ATOM 453 CG GLU A 31 -3.403 8.103 3.395 1.00 0.00 C ATOM 454 CD GLU A 31 -2.613 9.267 4.031 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.883 9.687 5.182 1.00 0.00 O ATOM 456 OE2 GLU A 31 -1.801 9.902 3.323 1.00 0.00 O ATOM 0 H GLU A 31 -5.342 5.917 3.886 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.252 5.746 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.418 6.623 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.920 6.693 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.247 8.113 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.468 8.261 3.564 1.00 0.00 H new ATOM 463 N PHE A 32 -1.917 3.686 2.644 1.00 0.00 N ATOM 464 CA PHE A 32 -1.000 2.591 2.889 1.00 0.00 C ATOM 465 C PHE A 32 0.327 3.115 3.375 1.00 0.00 C ATOM 466 O PHE A 32 0.478 3.653 4.468 1.00 0.00 O ATOM 467 CB PHE A 32 -1.063 1.555 1.739 1.00 0.00 C ATOM 468 CG PHE A 32 -0.612 0.115 2.044 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.637 -0.440 3.349 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.200 -0.721 0.984 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.182 -1.751 3.585 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.251 -2.035 1.225 1.00 0.00 C ATOM 473 CZ PHE A 32 0.287 -2.551 2.529 1.00 0.00 C ATOM 0 H PHE A 32 -1.911 3.988 1.670 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.297 1.968 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.092 1.515 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.453 1.930 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.010 0.151 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.231 -0.348 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.193 -2.147 4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.572 -2.650 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.668 -3.544 2.718 1.00 0.00 H new ATOM 483 N LEU A 33 1.281 2.916 2.520 1.00 0.00 N ATOM 484 CA LEU A 33 2.674 3.263 2.704 1.00 0.00 C ATOM 485 C LEU A 33 2.910 4.673 2.191 1.00 0.00 C ATOM 486 O LEU A 33 2.616 4.978 1.036 1.00 0.00 O ATOM 487 CB LEU A 33 3.666 2.284 2.051 1.00 0.00 C ATOM 488 CG LEU A 33 3.872 0.931 2.756 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.309 1.122 4.211 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.636 0.068 2.575 1.00 0.00 C ATOM 0 H LEU A 33 1.107 2.480 1.615 1.00 0.00 H new ATOM 0 HA LEU A 33 2.870 3.200 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.330 2.089 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.634 2.780 1.978 1.00 0.00 H new ATOM 0 HG LEU A 33 4.696 0.390 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.446 0.148 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.249 1.674 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.544 1.680 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.784 -0.889 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.773 0.574 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.463 -0.101 1.512 1.00 0.00 H new ATOM 502 N LYS A 34 3.549 5.496 3.012 1.00 0.00 N ATOM 503 CA LYS A 34 4.054 6.817 2.690 1.00 0.00 C ATOM 504 C LYS A 34 5.576 6.782 2.703 1.00 0.00 C ATOM 505 O LYS A 34 6.170 6.325 3.681 1.00 0.00 O ATOM 506 CB LYS A 34 3.528 7.809 3.736 1.00 0.00 C ATOM 507 CG LYS A 34 2.079 8.222 3.449 1.00 0.00 C ATOM 508 CD LYS A 34 1.681 9.621 3.947 1.00 0.00 C ATOM 509 CE LYS A 34 2.465 10.746 3.245 1.00 0.00 C ATOM 510 NZ LYS A 34 1.712 12.020 3.203 1.00 0.00 N ATOM 0 H LYS A 34 3.738 5.239 3.981 1.00 0.00 H new ATOM 0 HA LYS A 34 3.719 7.129 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.589 7.359 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.163 8.695 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.913 8.177 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.413 7.489 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.614 9.771 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.850 9.682 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.411 10.904 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.706 10.437 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.174 12.675 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.738 11.837 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.694 12.444 4.152 1.00 0.00 H new ATOM 524 N ARG A 35 6.235 7.271 1.656 1.00 0.00 N ATOM 525 CA ARG A 35 7.676 7.519 1.643 1.00 0.00 C ATOM 526 C ARG A 35 7.850 8.874 0.983 1.00 0.00 C ATOM 527 O ARG A 35 7.556 9.007 -0.203 1.00 0.00 O ATOM 528 CB ARG A 35 8.429 6.419 0.863 1.00 0.00 C ATOM 529 CG ARG A 35 9.908 6.729 0.559 1.00 0.00 C ATOM 530 CD ARG A 35 10.586 5.620 -0.268 1.00 0.00 C ATOM 531 NE ARG A 35 11.490 6.181 -1.289 1.00 0.00 N ATOM 532 CZ ARG A 35 12.172 5.497 -2.219 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.212 4.170 -2.225 1.00 0.00 N ATOM 534 NH2 ARG A 35 12.814 6.152 -3.177 1.00 0.00 N ATOM 0 H ARG A 35 5.776 7.511 0.777 1.00 0.00 H new ATOM 0 HA ARG A 35 8.091 7.507 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.378 5.491 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.910 6.243 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.974 7.673 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.448 6.860 1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.148 4.963 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.824 5.009 -0.752 1.00 0.00 H new ATOM 0 HE ARG A 35 11.609 7.194 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.715 3.642 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.740 3.679 -2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.787 7.171 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.334 5.636 -3.887 1.00 0.00 H new ATOM 548 N GLY A 36 8.313 9.868 1.724 1.00 0.00 N ATOM 549 CA GLY A 36 8.614 11.195 1.238 1.00 0.00 C ATOM 550 C GLY A 36 7.375 11.855 0.679 1.00 0.00 C ATOM 551 O GLY A 36 6.538 12.362 1.420 1.00 0.00 O ATOM 0 H GLY A 36 8.495 9.762 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.020 11.801 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.382 11.139 0.466 1.00 0.00 H new ATOM 555 N ASP A 37 7.229 11.811 -0.632 1.00 0.00 N ATOM 556 CA ASP A 37 6.180 12.457 -1.406 1.00 0.00 C ATOM 557 C ASP A 37 5.314 11.436 -2.146 1.00 0.00 C ATOM 558 O ASP A 37 4.446 11.835 -2.924 1.00 0.00 O ATOM 559 CB ASP A 37 6.807 13.466 -2.375 1.00 0.00 C ATOM 560 CG ASP A 37 7.683 12.865 -3.475 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.330 11.814 -3.244 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.884 13.541 -4.503 1.00 0.00 O ATOM 0 H ASP A 37 7.878 11.292 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 37 5.519 12.988 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.007 14.039 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.408 14.170 -1.800 1.00 0.00 H new ATOM 567 N LYS A 38 5.517 10.141 -1.881 1.00 0.00 N ATOM 568 CA LYS A 38 4.859 9.011 -2.530 1.00 0.00 C ATOM 569 C LYS A 38 3.849 8.471 -1.531 1.00 0.00 C ATOM 570 O LYS A 38 4.194 8.347 -0.347 1.00 0.00 O ATOM 571 CB LYS A 38 5.920 7.938 -2.885 1.00 0.00 C ATOM 572 CG LYS A 38 6.993 8.419 -3.874 1.00 0.00 C ATOM 573 CD LYS A 38 6.466 8.921 -5.227 1.00 0.00 C ATOM 574 CE LYS A 38 5.905 7.800 -6.107 1.00 0.00 C ATOM 575 NZ LYS A 38 5.447 8.329 -7.407 1.00 0.00 N ATOM 0 H LYS A 38 6.182 9.841 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 38 4.360 9.301 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.408 7.608 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.415 7.069 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.562 9.222 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.689 7.600 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.687 9.663 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.273 9.424 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.671 7.041 -6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.075 7.312 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.182 7.539 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.622 8.946 -7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.214 8.876 -7.849 1.00 0.00 H new ATOM 589 N ILE A 39 2.629 8.169 -1.974 1.00 0.00 N ATOM 590 CA ILE A 39 1.553 7.644 -1.135 1.00 0.00 C ATOM 591 C ILE A 39 0.890 6.484 -1.866 1.00 0.00 C ATOM 592 O ILE A 39 0.213 6.667 -2.882 1.00 0.00 O ATOM 593 CB ILE A 39 0.511 8.706 -0.732 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.206 9.968 -0.193 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.442 8.066 0.304 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.242 11.021 0.347 1.00 0.00 C ATOM 0 H ILE A 39 2.355 8.286 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 39 1.997 7.306 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.071 9.027 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.896 9.680 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.803 10.411 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.192 8.796 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.936 7.202 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.129 7.748 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.807 11.880 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.432 11.339 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.338 10.597 1.167 1.00 0.00 H new ATOM 608 N VAL A 40 1.119 5.276 -1.362 1.00 0.00 N ATOM 609 CA VAL A 40 0.328 4.124 -1.736 1.00 0.00 C ATOM 610 C VAL A 40 -0.957 4.199 -0.916 1.00 0.00 C ATOM 611 O VAL A 40 -0.936 4.565 0.258 1.00 0.00 O ATOM 612 CB VAL A 40 1.115 2.823 -1.444 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.388 1.584 -1.990 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.510 2.818 -2.066 1.00 0.00 C ATOM 0 H VAL A 40 1.856 5.075 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 40 0.097 4.118 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 40 1.193 2.788 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.972 0.691 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.594 1.503 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.270 1.678 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.012 1.881 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.426 2.918 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.089 3.651 -1.668 1.00 0.00 H new ATOM 624 N TYR A 41 -2.056 3.796 -1.528 1.00 0.00 N ATOM 625 CA TYR A 41 -3.361 3.575 -0.945 1.00 0.00 C ATOM 626 C TYR A 41 -3.680 2.094 -1.098 1.00 0.00 C ATOM 627 O TYR A 41 -3.084 1.437 -1.955 1.00 0.00 O ATOM 628 CB TYR A 41 -4.373 4.439 -1.702 1.00 0.00 C ATOM 629 CG TYR A 41 -4.239 5.910 -1.378 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.225 6.680 -1.983 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.110 6.498 -0.443 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.132 8.056 -1.704 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.002 7.866 -0.143 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.033 8.660 -0.793 1.00 0.00 C ATOM 635 OH TYR A 41 -3.996 10.001 -0.546 1.00 0.00 O ATOM 0 H TYR A 41 -2.055 3.599 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.395 3.845 0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.240 4.293 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.382 4.108 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.522 6.215 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.863 5.897 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.372 8.653 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.662 8.311 0.587 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.690 10.233 0.106 1.00 0.00 H new ATOM 645 N HIS A 42 -4.612 1.567 -0.305 1.00 0.00 N ATOM 646 CA HIS A 42 -5.136 0.221 -0.499 1.00 0.00 C ATOM 647 C HIS A 42 -6.658 0.233 -0.359 1.00 0.00 C ATOM 648 O HIS A 42 -7.227 1.111 0.305 1.00 0.00 O ATOM 649 CB HIS A 42 -4.425 -0.779 0.424 1.00 0.00 C ATOM 650 CG HIS A 42 -4.855 -0.798 1.870 1.00 0.00 C ATOM 651 ND1 HIS A 42 -5.994 -1.390 2.367 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.122 -0.360 2.940 1.00 0.00 C ATOM 653 CE1 HIS A 42 -5.936 -1.316 3.707 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.812 -0.696 4.108 1.00 0.00 N ATOM 0 H HIS A 42 -5.022 2.062 0.487 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.924 -0.122 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.567 -1.779 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.356 -0.570 0.391 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.745 -1.808 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.174 0.156 2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.692 -1.703 4.374 1.00 0.00 H new ATOM 662 N THR A 43 -7.327 -0.728 -0.996 1.00 0.00 N ATOM 663 CA THR A 43 -8.778 -0.822 -0.950 1.00 0.00 C ATOM 664 C THR A 43 -9.218 -1.559 0.315 1.00 0.00 C ATOM 665 O THR A 43 -8.448 -2.290 0.953 1.00 0.00 O ATOM 666 CB THR A 43 -9.323 -1.472 -2.237 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.742 -2.738 -2.443 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.983 -0.614 -3.457 1.00 0.00 C ATOM 0 H THR A 43 -6.879 -1.456 -1.553 1.00 0.00 H new ATOM 0 HA THR A 43 -9.203 0.181 -0.903 1.00 0.00 H new ATOM 0 HB THR A 43 -10.403 -1.563 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.336 -3.432 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.376 -1.089 -4.356 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.430 0.374 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.901 -0.515 -3.542 1.00 0.00 H new ATOM 676 N LEU A 44 -10.471 -1.348 0.694 1.00 0.00 N ATOM 677 CA LEU A 44 -11.147 -1.913 1.867 1.00 0.00 C ATOM 678 C LEU A 44 -11.851 -3.266 1.630 1.00 0.00 C ATOM 679 O LEU A 44 -12.659 -3.733 2.443 1.00 0.00 O ATOM 680 CB LEU A 44 -12.121 -0.883 2.419 1.00 0.00 C ATOM 681 CG LEU A 44 -11.491 0.486 2.770 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.496 1.432 3.431 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.290 0.326 3.704 1.00 0.00 C ATOM 0 H LEU A 44 -11.088 -0.738 0.158 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.366 -2.141 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.914 -0.725 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.590 -1.291 3.314 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.167 0.917 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.008 2.380 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.331 1.608 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.866 0.983 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.872 1.307 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.610 -0.154 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.532 -0.289 3.219 1.00 0.00 H new ATOM 695 N GLU A 45 -11.665 -3.820 0.452 1.00 0.00 N ATOM 696 CA GLU A 45 -12.179 -5.103 -0.053 1.00 0.00 C ATOM 697 C GLU A 45 -11.151 -5.845 -0.916 1.00 0.00 C ATOM 698 O GLU A 45 -10.156 -5.242 -1.331 1.00 0.00 O ATOM 699 CB GLU A 45 -13.471 -4.862 -0.846 1.00 0.00 C ATOM 700 CG GLU A 45 -13.324 -3.817 -1.969 1.00 0.00 C ATOM 701 CD GLU A 45 -14.579 -2.960 -2.117 1.00 0.00 C ATOM 702 OE1 GLU A 45 -14.997 -2.349 -1.099 1.00 0.00 O ATOM 703 OE2 GLU A 45 -15.077 -2.801 -3.253 1.00 0.00 O ATOM 0 H GLU A 45 -11.098 -3.350 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.387 -5.740 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.801 -5.805 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.253 -4.537 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.469 -3.175 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.117 -4.324 -2.912 1.00 0.00 H new ATOM 710 N SER A 46 -11.397 -7.138 -1.175 1.00 0.00 N ATOM 711 CA SER A 46 -10.527 -8.026 -1.936 1.00 0.00 C ATOM 712 C SER A 46 -10.872 -8.041 -3.437 1.00 0.00 C ATOM 713 O SER A 46 -12.041 -7.879 -3.794 1.00 0.00 O ATOM 714 CB SER A 46 -10.588 -9.446 -1.356 1.00 0.00 C ATOM 715 OG SER A 46 -11.910 -9.944 -1.226 1.00 0.00 O ATOM 0 H SER A 46 -12.242 -7.605 -0.844 1.00 0.00 H new ATOM 0 HA SER A 46 -9.511 -7.642 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.016 -10.117 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.107 -9.452 -0.378 1.00 0.00 H new ATOM 0 HG SER A 46 -11.883 -10.850 -0.854 1.00 0.00 H new ATOM 721 N PRO A 47 -9.900 -8.361 -4.315 1.00 0.00 N ATOM 722 CA PRO A 47 -8.478 -8.343 -4.008 1.00 0.00 C ATOM 723 C PRO A 47 -8.094 -6.910 -3.710 1.00 0.00 C ATOM 724 O PRO A 47 -8.520 -5.993 -4.414 1.00 0.00 O ATOM 725 CB PRO A 47 -7.762 -8.826 -5.258 1.00 0.00 C ATOM 726 CG PRO A 47 -8.698 -8.369 -6.380 1.00 0.00 C ATOM 727 CD PRO A 47 -10.093 -8.428 -5.756 1.00 0.00 C ATOM 0 HA PRO A 47 -8.221 -8.971 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.770 -8.384 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.630 -9.908 -5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.455 -7.361 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.624 -9.021 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.710 -7.600 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.606 -9.348 -6.037 1.00 0.00 H new ATOM 735 N VAL A 48 -7.315 -6.754 -2.646 1.00 0.00 N ATOM 736 CA VAL A 48 -6.878 -5.451 -2.223 1.00 0.00 C ATOM 737 C VAL A 48 -6.039 -4.909 -3.370 1.00 0.00 C ATOM 738 O VAL A 48 -5.002 -5.474 -3.737 1.00 0.00 O ATOM 739 CB VAL A 48 -6.169 -5.517 -0.871 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.584 -4.162 -0.488 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.123 -5.976 0.239 1.00 0.00 C ATOM 0 H VAL A 48 -6.978 -7.523 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.703 -4.764 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.363 -6.243 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.086 -4.241 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.863 -3.850 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.384 -3.425 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.587 -6.012 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.954 -5.275 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.507 -6.968 0.001 1.00 0.00 H new ATOM 751 N GLU A 49 -6.560 -3.881 -4.019 1.00 0.00 N ATOM 752 CA GLU A 49 -5.797 -3.123 -4.971 1.00 0.00 C ATOM 753 C GLU A 49 -4.928 -2.172 -4.176 1.00 0.00 C ATOM 754 O GLU A 49 -5.203 -1.855 -3.016 1.00 0.00 O ATOM 755 CB GLU A 49 -6.695 -2.368 -5.950 1.00 0.00 C ATOM 756 CG GLU A 49 -7.466 -3.317 -6.872 1.00 0.00 C ATOM 757 CD GLU A 49 -7.498 -2.785 -8.305 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.095 -1.718 -8.586 1.00 0.00 O ATOM 759 OE2 GLU A 49 -6.877 -3.450 -9.171 1.00 0.00 O ATOM 0 H GLU A 49 -7.519 -3.557 -3.895 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.188 -3.788 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.400 -1.751 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.087 -1.692 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.000 -4.302 -6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.484 -3.440 -6.503 1.00 0.00 H new ATOM 766 N PHE A 50 -3.861 -1.736 -4.824 1.00 0.00 N ATOM 767 CA PHE A 50 -2.837 -0.921 -4.230 1.00 0.00 C ATOM 768 C PHE A 50 -2.573 0.175 -5.238 1.00 0.00 C ATOM 769 O PHE A 50 -2.235 -0.141 -6.379 1.00 0.00 O ATOM 770 CB PHE A 50 -1.590 -1.768 -4.013 1.00 0.00 C ATOM 771 CG PHE A 50 -1.752 -2.962 -3.084 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.799 -2.787 -1.688 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.844 -4.262 -3.617 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.893 -3.904 -0.837 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.951 -5.375 -2.763 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.948 -5.206 -1.370 1.00 0.00 C ATOM 0 H PHE A 50 -3.686 -1.950 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.127 -0.510 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.247 -2.130 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.803 -1.127 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.763 -1.792 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.832 -4.406 -4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.923 -3.761 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.036 -6.367 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.987 -6.064 -0.715 1.00 0.00 H new ATOM 786 N HIS A 51 -2.778 1.436 -4.876 1.00 0.00 N ATOM 787 CA HIS A 51 -2.656 2.524 -5.831 1.00 0.00 C ATOM 788 C HIS A 51 -1.583 3.452 -5.325 1.00 0.00 C ATOM 789 O HIS A 51 -1.731 4.039 -4.257 1.00 0.00 O ATOM 790 CB HIS A 51 -3.967 3.276 -6.058 1.00 0.00 C ATOM 791 CG HIS A 51 -5.254 2.534 -5.804 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.543 1.268 -6.212 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.369 3.027 -5.166 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.849 0.973 -5.824 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.304 2.060 -5.176 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.028 1.727 -3.931 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.392 2.110 -6.804 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.960 4.162 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.979 3.624 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.474 4.012 -4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.388 0.055 -6.007 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.228 2.140 -4.752 1.00 0.00 H new ATOM 803 N LEU A 52 -0.496 3.553 -6.069 1.00 0.00 N ATOM 804 CA LEU A 52 0.557 4.504 -5.764 1.00 0.00 C ATOM 805 C LEU A 52 0.336 5.747 -6.597 1.00 0.00 C ATOM 806 O LEU A 52 0.462 5.696 -7.819 1.00 0.00 O ATOM 807 CB LEU A 52 1.937 3.915 -6.044 1.00 0.00 C ATOM 808 CG LEU A 52 3.063 4.936 -5.815 1.00 0.00 C ATOM 809 CD1 LEU A 52 3.041 5.657 -4.468 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.412 4.241 -5.972 1.00 0.00 C ATOM 0 H LEU A 52 -0.319 2.982 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 52 0.521 4.751 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.098 3.050 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.976 3.559 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 52 2.899 5.709 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.878 6.353 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.105 6.207 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.123 4.927 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.214 4.962 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.494 3.437 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.493 3.827 -6.977 1.00 0.00 H new ATOM 822 N ASP A 53 0.022 6.859 -5.939 1.00 0.00 N ATOM 823 CA ASP A 53 0.135 8.212 -6.473 1.00 0.00 C ATOM 824 C ASP A 53 -0.903 8.507 -7.552 1.00 0.00 C ATOM 825 O ASP A 53 -0.979 9.643 -8.023 1.00 0.00 O ATOM 826 CB ASP A 53 1.578 8.516 -6.934 1.00 0.00 C ATOM 827 CG ASP A 53 2.445 9.197 -5.876 1.00 0.00 C ATOM 828 OD1 ASP A 53 2.219 8.979 -4.665 1.00 0.00 O ATOM 829 OD2 ASP A 53 3.419 9.868 -6.288 1.00 0.00 O ATOM 0 H ASP A 53 -0.332 6.841 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.090 8.898 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.056 7.583 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.538 9.152 -7.819 1.00 0.00 H new ATOM 834 N GLY A 54 -1.733 7.523 -7.900 1.00 0.00 N ATOM 835 CA GLY A 54 -2.689 7.565 -8.986 1.00 0.00 C ATOM 836 C GLY A 54 -2.631 6.315 -9.866 1.00 0.00 C ATOM 837 O GLY A 54 -3.633 5.957 -10.493 1.00 0.00 O ATOM 0 H GLY A 54 -1.751 6.634 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.694 7.671 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.499 8.446 -9.599 1.00 0.00 H new ATOM 841 N GLU A 55 -1.505 5.603 -9.883 1.00 0.00 N ATOM 842 CA GLU A 55 -1.307 4.371 -10.631 1.00 0.00 C ATOM 843 C GLU A 55 -1.637 3.211 -9.715 1.00 0.00 C ATOM 844 O GLU A 55 -0.925 2.939 -8.753 1.00 0.00 O ATOM 845 CB GLU A 55 0.138 4.266 -11.134 1.00 0.00 C ATOM 846 CG GLU A 55 0.269 4.934 -12.505 1.00 0.00 C ATOM 847 CD GLU A 55 1.693 5.405 -12.803 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.649 4.592 -12.728 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.881 6.606 -13.103 1.00 0.00 O ATOM 0 H GLU A 55 -0.678 5.882 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.957 4.357 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.814 4.742 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.432 3.219 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.045 4.232 -13.277 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.408 5.787 -12.555 1.00 0.00 H new ATOM 856 N VAL A 56 -2.742 2.539 -9.990 1.00 0.00 N ATOM 857 CA VAL A 56 -3.001 1.228 -9.429 1.00 0.00 C ATOM 858 C VAL A 56 -2.050 0.183 -9.995 1.00 0.00 C ATOM 859 O VAL A 56 -1.831 0.053 -11.203 1.00 0.00 O ATOM 860 CB VAL A 56 -4.490 0.904 -9.374 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.275 1.272 -10.606 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.749 -0.573 -9.041 1.00 0.00 C ATOM 0 H VAL A 56 -3.479 2.885 -10.604 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.747 1.220 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.853 1.542 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.321 1.001 -10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.199 2.345 -10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.874 0.736 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.823 -0.757 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.293 -1.203 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.315 -0.808 -8.069 1.00 0.00 H new ATOM 872 N LEU A 57 -1.422 -0.489 -9.042 1.00 0.00 N ATOM 873 CA LEU A 57 -0.340 -1.440 -9.226 1.00 0.00 C ATOM 874 C LEU A 57 -0.892 -2.859 -9.082 1.00 0.00 C ATOM 875 O LEU A 57 -2.014 -3.042 -8.596 1.00 0.00 O ATOM 876 CB LEU A 57 0.744 -1.156 -8.168 1.00 0.00 C ATOM 877 CG LEU A 57 1.117 0.338 -8.021 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.085 0.519 -6.852 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.652 0.939 -9.328 1.00 0.00 C ATOM 0 H LEU A 57 -1.671 -0.377 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 57 0.100 -1.343 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.399 -1.529 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.642 -1.719 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 57 0.208 0.897 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.344 1.573 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.613 0.174 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.989 -0.061 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.899 1.989 -9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.546 0.398 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.891 0.857 -10.104 1.00 0.00 H new ATOM 891 N SER A 58 -0.101 -3.871 -9.451 1.00 0.00 N ATOM 892 CA SER A 58 -0.362 -5.240 -9.009 1.00 0.00 C ATOM 893 C SER A 58 0.190 -5.384 -7.586 1.00 0.00 C ATOM 894 O SER A 58 1.046 -4.592 -7.186 1.00 0.00 O ATOM 895 CB SER A 58 0.259 -6.270 -9.975 1.00 0.00 C ATOM 896 OG SER A 58 0.483 -5.754 -11.278 1.00 0.00 O ATOM 0 H SER A 58 0.718 -3.768 -10.050 1.00 0.00 H new ATOM 0 HA SER A 58 -1.434 -5.439 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.205 -6.620 -9.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.399 -7.137 -10.043 1.00 0.00 H new ATOM 0 HG SER A 58 0.878 -6.451 -11.842 1.00 0.00 H new ATOM 902 N LEU A 59 -0.230 -6.400 -6.827 1.00 0.00 N ATOM 903 CA LEU A 59 0.293 -6.646 -5.489 1.00 0.00 C ATOM 904 C LEU A 59 1.765 -6.983 -5.615 1.00 0.00 C ATOM 905 O LEU A 59 2.641 -6.372 -5.009 1.00 0.00 O ATOM 906 CB LEU A 59 -0.451 -7.828 -4.846 1.00 0.00 C ATOM 907 CG LEU A 59 0.023 -8.200 -3.422 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.712 -9.543 -3.357 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.845 -7.206 -2.595 1.00 0.00 C ATOM 0 H LEU A 59 -0.939 -7.070 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 59 0.155 -5.764 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.514 -7.592 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.341 -8.701 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.955 -8.201 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.020 -9.745 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.025 -10.321 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.589 -9.534 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.082 -7.647 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.769 -6.970 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.269 -6.293 -2.446 1.00 0.00 H new ATOM 921 N ASP A 60 2.034 -8.001 -6.416 1.00 0.00 N ATOM 922 CA ASP A 60 3.367 -8.566 -6.463 1.00 0.00 C ATOM 923 C ASP A 60 4.342 -7.537 -7.065 1.00 0.00 C ATOM 924 O ASP A 60 5.494 -7.414 -6.649 1.00 0.00 O ATOM 925 CB ASP A 60 3.322 -9.857 -7.291 1.00 0.00 C ATOM 926 CG ASP A 60 3.716 -11.098 -6.476 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.156 -11.317 -5.377 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.509 -11.928 -6.973 1.00 0.00 O ATOM 0 H ASP A 60 1.355 -8.446 -7.034 1.00 0.00 H new ATOM 0 HA ASP A 60 3.720 -8.808 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.317 -9.993 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.993 -9.760 -8.145 1.00 0.00 H new ATOM 933 N LYS A 61 3.843 -6.725 -8.009 1.00 0.00 N ATOM 934 CA LYS A 61 4.530 -5.558 -8.553 1.00 0.00 C ATOM 935 C LYS A 61 4.818 -4.568 -7.445 1.00 0.00 C ATOM 936 O LYS A 61 5.965 -4.141 -7.346 1.00 0.00 O ATOM 937 CB LYS A 61 3.670 -4.847 -9.613 1.00 0.00 C ATOM 938 CG LYS A 61 4.039 -5.164 -11.066 1.00 0.00 C ATOM 939 CD LYS A 61 3.433 -4.100 -11.999 1.00 0.00 C ATOM 940 CE LYS A 61 3.755 -4.380 -13.470 1.00 0.00 C ATOM 941 NZ LYS A 61 3.051 -3.446 -14.377 1.00 0.00 N ATOM 0 H LYS A 61 2.923 -6.872 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 61 5.455 -5.907 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.626 -5.116 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.749 -3.771 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.123 -5.186 -11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.670 -6.153 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.352 -4.071 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.815 -3.117 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.830 -4.298 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.474 -5.404 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.296 -3.669 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.024 -3.542 -14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.338 -2.470 -14.161 1.00 0.00 H new ATOM 955 N LEU A 62 3.806 -4.175 -6.663 1.00 0.00 N ATOM 956 CA LEU A 62 3.918 -3.198 -5.588 1.00 0.00 C ATOM 957 C LEU A 62 5.128 -3.518 -4.733 1.00 0.00 C ATOM 958 O LEU A 62 5.937 -2.627 -4.505 1.00 0.00 O ATOM 959 CB LEU A 62 2.644 -3.131 -4.727 1.00 0.00 C ATOM 960 CG LEU A 62 2.829 -2.303 -3.436 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.065 -0.815 -3.718 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.639 -2.431 -2.490 1.00 0.00 C ATOM 0 H LEU A 62 2.860 -4.543 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 62 4.043 -2.214 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.836 -2.698 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.338 -4.143 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 62 3.716 -2.721 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.188 -0.281 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.965 -0.697 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.210 -0.407 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.817 -1.831 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.737 -2.078 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.511 -3.475 -2.205 1.00 0.00 H new ATOM 974 N LYS A 63 5.281 -4.766 -4.277 1.00 0.00 N ATOM 975 CA LYS A 63 6.417 -5.132 -3.440 1.00 0.00 C ATOM 976 C LYS A 63 7.723 -4.723 -4.133 1.00 0.00 C ATOM 977 O LYS A 63 8.523 -3.978 -3.559 1.00 0.00 O ATOM 978 CB LYS A 63 6.365 -6.630 -3.070 1.00 0.00 C ATOM 979 CG LYS A 63 5.129 -6.950 -2.211 1.00 0.00 C ATOM 980 CD LYS A 63 5.066 -8.414 -1.757 1.00 0.00 C ATOM 981 CE LYS A 63 3.777 -8.651 -0.946 1.00 0.00 C ATOM 982 NZ LYS A 63 3.723 -10.008 -0.370 1.00 0.00 N ATOM 0 H LYS A 63 4.635 -5.531 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 63 6.371 -4.589 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.344 -7.231 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.269 -6.904 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.129 -6.305 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.229 -6.714 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.089 -9.075 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.939 -8.654 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.714 -7.915 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.911 -8.497 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.839 -10.122 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.757 -10.712 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.534 -10.148 0.265 1.00 0.00 H new ATOM 996 N SER A 64 7.878 -5.082 -5.406 1.00 0.00 N ATOM 997 CA SER A 64 9.026 -4.726 -6.229 1.00 0.00 C ATOM 998 C SER A 64 9.124 -3.213 -6.513 1.00 0.00 C ATOM 999 O SER A 64 10.198 -2.754 -6.903 1.00 0.00 O ATOM 1000 CB SER A 64 8.974 -5.529 -7.534 1.00 0.00 C ATOM 1001 OG SER A 64 10.171 -5.378 -8.272 1.00 0.00 O ATOM 0 H SER A 64 7.188 -5.644 -5.905 1.00 0.00 H new ATOM 0 HA SER A 64 9.927 -4.979 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.812 -6.583 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.128 -5.197 -8.136 1.00 0.00 H new ATOM 0 HG SER A 64 10.631 -4.561 -7.986 1.00 0.00 H new ATOM 1007 N LEU A 65 8.055 -2.425 -6.357 1.00 0.00 N ATOM 1008 CA LEU A 65 8.047 -0.965 -6.501 1.00 0.00 C ATOM 1009 C LEU A 65 8.294 -0.250 -5.173 1.00 0.00 C ATOM 1010 O LEU A 65 8.447 0.974 -5.149 1.00 0.00 O ATOM 1011 CB LEU A 65 6.694 -0.465 -7.037 1.00 0.00 C ATOM 1012 CG LEU A 65 6.270 -0.917 -8.441 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.046 -0.120 -8.854 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.375 -0.728 -9.487 1.00 0.00 C ATOM 0 H LEU A 65 7.137 -2.800 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 65 8.852 -0.736 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.920 -0.778 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.712 0.625 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 65 6.054 -1.984 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.730 -0.428 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.238 -0.301 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.290 0.942 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.017 -1.065 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.645 0.327 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.250 -1.311 -9.201 1.00 0.00 H new ATOM 1026 N LEU A 66 8.270 -0.971 -4.055 1.00 0.00 N ATOM 1027 CA LEU A 66 8.624 -0.423 -2.745 1.00 0.00 C ATOM 1028 C LEU A 66 10.078 -0.726 -2.408 1.00 0.00 C ATOM 1029 O LEU A 66 10.635 -0.082 -1.517 1.00 0.00 O ATOM 1030 CB LEU A 66 7.751 -1.037 -1.652 1.00 0.00 C ATOM 1031 CG LEU A 66 6.255 -0.708 -1.788 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.388 -1.674 -1.002 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.937 0.692 -1.303 1.00 0.00 C ATOM 0 H LEU A 66 8.004 -1.955 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 66 8.468 0.655 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.877 -2.120 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.103 -0.688 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 66 6.035 -0.792 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.339 -1.405 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.548 -2.688 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.653 -1.624 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.870 0.883 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.212 0.784 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.500 1.417 -1.890 1.00 0.00 H new ATOM 1045 N SER A 67 10.652 -1.723 -3.086 1.00 0.00 N ATOM 1046 CA SER A 67 12.023 -2.168 -2.971 1.00 0.00 C ATOM 1047 C SER A 67 12.938 -0.952 -3.012 1.00 0.00 C ATOM 1048 O SER A 67 13.702 -0.755 -2.040 1.00 0.00 O ATOM 1049 CB SER A 67 12.248 -3.272 -4.009 1.00 0.00 C ATOM 1050 OG SER A 67 13.602 -3.618 -4.224 1.00 0.00 O ATOM 0 H SER A 67 10.129 -2.269 -3.771 1.00 0.00 H new ATOM 0 HA SER A 67 12.266 -2.637 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.706 -4.163 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.814 -2.954 -4.957 1.00 0.00 H new ATOM 0 HG SER A 67 13.655 -4.328 -4.897 1.00 0.00 H new TER 1056 SER A 67