USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 75 THR OG1 : rot 180:sc= 0.645 USER MOD Set 1.2: A 81 THR OG1 : rot -76:sc= 0.714 USER MOD Set 2.1: A 3 THR OG1 : rot 155:sc= 2.13 USER MOD Set 2.2: A 9 TYR OH : rot 105:sc= 0.437 USER MOD Set 2.3: A 28 CYS SG : rot 82:sc= 0.533 USER MOD Single : A 1 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.03) USER MOD Single : A 1 HIS N :NH3+ -174:sc= 0 (180deg=-0.0347) USER MOD Single : A 2 MET CE :methyl -161:sc= -0.179 (180deg=-0.8) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0064 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.765 USER MOD Single : A 11 GLN : amide:sc= 0.91 K(o=0.91,f=-0.35) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.838 USER MOD Single : A 19 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.824) USER MOD Single : A 31 MET CE :methyl -104:sc= -0.414 (180deg=-1.57) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= -0.839 (180deg=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0571 (180deg=-0.377) USER MOD Single : A 41 HIS : no HE2:sc= -3.35! C(o=-3.3!,f=-4.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.691 (180deg=-1.1) USER MOD Single : A 68 SER OG : rot -125:sc= 1.28 USER MOD Single : A 69 THR OG1 : rot 175:sc= -0.954 USER MOD Single : A 71 MET CE :methyl 163:sc= -0.128 (180deg=-0.641) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= -0.0013 (180deg=-0.0884) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -141:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.743 6.568 -12.834 1.00 0.00 N ATOM 2 CA HIS A 1 2.167 5.920 -11.662 1.00 0.00 C ATOM 3 C HIS A 1 2.959 6.286 -10.440 1.00 0.00 C ATOM 4 O HIS A 1 4.014 5.723 -10.187 1.00 0.00 O ATOM 5 CB HIS A 1 2.108 4.392 -11.824 1.00 0.00 C ATOM 6 CG HIS A 1 1.266 3.955 -12.970 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.772 3.495 -14.162 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.081 3.940 -13.099 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.742 3.232 -14.967 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.408 3.484 -14.367 1.00 0.00 N ATOM 0 H1 HIS A 1 2.135 6.396 -13.660 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.815 7.592 -12.665 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.691 6.180 -13.015 1.00 0.00 H new ATOM 0 HA HIS A 1 1.142 6.274 -11.551 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.119 4.008 -11.958 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.718 3.951 -10.907 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.787 4.235 -12.337 1.00 0.00 H new ATOM 0 HE1 HIS A 1 0.835 2.862 -15.977 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -1.343 3.367 -14.756 1.00 0.00 H new ATOM 18 N MET A 2 2.485 7.291 -9.733 1.00 0.00 N ATOM 19 CA MET A 2 3.065 7.768 -8.496 1.00 0.00 C ATOM 20 C MET A 2 1.950 8.402 -7.676 1.00 0.00 C ATOM 21 O MET A 2 1.192 9.228 -8.193 1.00 0.00 O ATOM 22 CB MET A 2 4.157 8.816 -8.740 1.00 0.00 C ATOM 23 CG MET A 2 5.405 8.330 -9.460 1.00 0.00 C ATOM 24 SD MET A 2 6.633 9.631 -9.708 1.00 0.00 S ATOM 25 CE MET A 2 5.691 10.816 -10.679 1.00 0.00 C ATOM 0 H MET A 2 1.657 7.816 -10.014 1.00 0.00 H new ATOM 0 HA MET A 2 3.525 6.927 -7.977 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.725 9.633 -9.317 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.456 9.230 -7.777 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.855 7.519 -8.887 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.121 7.918 -10.428 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.375 11.494 -11.190 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.088 10.285 -11.416 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.038 11.389 -10.020 1.00 0.00 H new ATOM 35 N THR A 3 1.822 8.003 -6.455 1.00 0.00 N ATOM 36 CA THR A 3 0.796 8.529 -5.573 1.00 0.00 C ATOM 37 C THR A 3 1.422 9.461 -4.538 1.00 0.00 C ATOM 38 O THR A 3 2.203 9.016 -3.697 1.00 0.00 O ATOM 39 CB THR A 3 0.040 7.366 -4.867 1.00 0.00 C ATOM 40 OG1 THR A 3 -0.658 6.570 -5.846 1.00 0.00 O ATOM 41 CG2 THR A 3 -0.948 7.875 -3.824 1.00 0.00 C ATOM 0 H THR A 3 2.422 7.300 -6.024 1.00 0.00 H new ATOM 0 HA THR A 3 0.080 9.096 -6.168 1.00 0.00 H new ATOM 0 HB THR A 3 0.783 6.758 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.784 5.662 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.452 7.029 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.413 8.444 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.686 8.517 -4.305 1.00 0.00 H new ATOM 49 N PHE A 4 1.135 10.751 -4.633 1.00 0.00 N ATOM 50 CA PHE A 4 1.659 11.699 -3.661 1.00 0.00 C ATOM 51 C PHE A 4 0.549 12.565 -3.086 1.00 0.00 C ATOM 52 O PHE A 4 0.802 13.524 -2.357 1.00 0.00 O ATOM 53 CB PHE A 4 2.755 12.589 -4.249 1.00 0.00 C ATOM 54 CG PHE A 4 3.913 11.826 -4.770 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.734 11.129 -3.909 1.00 0.00 C ATOM 56 CD2 PHE A 4 4.168 11.778 -6.116 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.787 10.399 -4.390 1.00 0.00 C ATOM 58 CE2 PHE A 4 5.216 11.047 -6.599 1.00 0.00 C ATOM 59 CZ PHE A 4 6.027 10.357 -5.735 1.00 0.00 C ATOM 0 H PHE A 4 0.551 11.161 -5.362 1.00 0.00 H new ATOM 0 HA PHE A 4 2.102 11.106 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.332 13.190 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.101 13.282 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.545 11.159 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.535 12.323 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.427 9.858 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.406 11.012 -7.662 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.856 9.780 -6.117 1.00 0.00 H new ATOM 69 N CYS A 5 -0.665 12.206 -3.366 1.00 0.00 N ATOM 70 CA CYS A 5 -1.812 12.911 -2.845 1.00 0.00 C ATOM 71 C CYS A 5 -2.777 11.875 -2.274 1.00 0.00 C ATOM 72 O CYS A 5 -3.429 11.155 -3.041 1.00 0.00 O ATOM 73 CB CYS A 5 -2.473 13.722 -3.959 1.00 0.00 C ATOM 74 SG CYS A 5 -1.381 14.910 -4.780 1.00 0.00 S ATOM 0 H CYS A 5 -0.898 11.413 -3.964 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.516 13.608 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.866 13.033 -4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.325 14.260 -3.542 1.00 0.00 H new ATOM 0 HG CYS A 5 -2.042 15.539 -5.706 1.00 0.00 H new ATOM 80 N LEU A 6 -2.872 11.795 -0.940 1.00 0.00 N ATOM 81 CA LEU A 6 -3.707 10.773 -0.320 1.00 0.00 C ATOM 82 C LEU A 6 -5.180 11.185 -0.311 1.00 0.00 C ATOM 83 O LEU A 6 -6.085 10.386 -0.555 1.00 0.00 O ATOM 84 CB LEU A 6 -3.198 10.354 1.118 1.00 0.00 C ATOM 85 CG LEU A 6 -3.502 11.199 2.396 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.157 12.666 2.270 1.00 0.00 C ATOM 87 CD2 LEU A 6 -4.925 10.986 2.921 1.00 0.00 C ATOM 0 H LEU A 6 -2.391 12.413 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.620 9.880 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.586 9.353 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.113 10.268 1.052 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.819 10.808 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.400 13.178 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.092 12.773 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.730 13.106 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.080 11.598 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.643 11.273 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.066 9.935 3.175 1.00 0.00 H new ATOM 99 N GLU A 7 -5.399 12.467 -0.091 1.00 0.00 N ATOM 100 CA GLU A 7 -6.724 13.044 0.009 1.00 0.00 C ATOM 101 C GLU A 7 -7.395 13.072 -1.365 1.00 0.00 C ATOM 102 O GLU A 7 -8.614 13.107 -1.480 1.00 0.00 O ATOM 103 CB GLU A 7 -6.606 14.427 0.696 1.00 0.00 C ATOM 104 CG GLU A 7 -7.778 15.400 0.564 1.00 0.00 C ATOM 105 CD GLU A 7 -9.044 15.028 1.300 1.00 0.00 C ATOM 106 OE1 GLU A 7 -9.020 14.887 2.541 1.00 0.00 O ATOM 107 OE2 GLU A 7 -10.105 14.952 0.649 1.00 0.00 O ATOM 0 H GLU A 7 -4.648 13.147 0.025 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.380 12.435 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.432 14.257 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.717 14.920 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.452 16.378 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.016 15.507 -0.494 1.00 0.00 H new ATOM 114 N THR A 8 -6.602 12.971 -2.401 1.00 0.00 N ATOM 115 CA THR A 8 -7.136 12.926 -3.718 1.00 0.00 C ATOM 116 C THR A 8 -7.787 11.559 -3.938 1.00 0.00 C ATOM 117 O THR A 8 -8.807 11.461 -4.587 1.00 0.00 O ATOM 118 CB THR A 8 -6.052 13.206 -4.753 1.00 0.00 C ATOM 119 OG1 THR A 8 -5.422 14.441 -4.404 1.00 0.00 O ATOM 120 CG2 THR A 8 -6.641 13.330 -6.153 1.00 0.00 C ATOM 0 H THR A 8 -5.585 12.919 -2.347 1.00 0.00 H new ATOM 0 HA THR A 8 -7.892 13.702 -3.837 1.00 0.00 H new ATOM 0 HB THR A 8 -5.340 12.381 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.832 14.725 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.842 13.530 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.143 12.400 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.360 14.149 -6.174 1.00 0.00 H new ATOM 128 N TYR A 9 -7.238 10.522 -3.298 1.00 0.00 N ATOM 129 CA TYR A 9 -7.808 9.189 -3.391 1.00 0.00 C ATOM 130 C TYR A 9 -9.110 9.132 -2.647 1.00 0.00 C ATOM 131 O TYR A 9 -10.039 8.415 -3.038 1.00 0.00 O ATOM 132 CB TYR A 9 -6.841 8.102 -2.918 1.00 0.00 C ATOM 133 CG TYR A 9 -5.940 7.608 -4.017 1.00 0.00 C ATOM 134 CD1 TYR A 9 -4.851 8.348 -4.444 1.00 0.00 C ATOM 135 CD2 TYR A 9 -6.204 6.401 -4.653 1.00 0.00 C ATOM 136 CE1 TYR A 9 -4.057 7.902 -5.477 1.00 0.00 C ATOM 137 CE2 TYR A 9 -5.406 5.947 -5.679 1.00 0.00 C ATOM 138 CZ TYR A 9 -4.334 6.705 -6.086 1.00 0.00 C ATOM 139 OH TYR A 9 -3.547 6.280 -7.138 1.00 0.00 O ATOM 0 H TYR A 9 -6.404 10.587 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.998 8.984 -4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.232 8.493 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.411 7.264 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.621 9.286 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.050 5.809 -4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.217 8.495 -5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.620 5.004 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.953 5.563 -6.833 1.00 0.00 H new ATOM 149 N LEU A 10 -9.199 9.949 -1.610 1.00 0.00 N ATOM 150 CA LEU A 10 -10.403 10.071 -0.814 1.00 0.00 C ATOM 151 C LEU A 10 -11.512 10.576 -1.745 1.00 0.00 C ATOM 152 O LEU A 10 -12.624 10.039 -1.784 1.00 0.00 O ATOM 153 CB LEU A 10 -10.153 11.092 0.336 1.00 0.00 C ATOM 154 CG LEU A 10 -11.174 11.147 1.494 1.00 0.00 C ATOM 155 CD1 LEU A 10 -10.561 11.871 2.672 1.00 0.00 C ATOM 156 CD2 LEU A 10 -12.452 11.869 1.083 1.00 0.00 C ATOM 0 H LEU A 10 -8.434 10.547 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.688 9.117 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.174 10.879 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.097 12.086 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.429 10.122 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.281 11.910 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.667 11.340 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.292 12.885 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.146 11.888 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.214 12.890 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.912 11.346 0.244 1.00 0.00 H new ATOM 168 N GLN A 11 -11.142 11.548 -2.552 1.00 0.00 N ATOM 169 CA GLN A 11 -12.024 12.220 -3.485 1.00 0.00 C ATOM 170 C GLN A 11 -12.245 11.413 -4.759 1.00 0.00 C ATOM 171 O GLN A 11 -13.108 11.749 -5.579 1.00 0.00 O ATOM 172 CB GLN A 11 -11.439 13.581 -3.799 1.00 0.00 C ATOM 173 CG GLN A 11 -11.350 14.448 -2.565 1.00 0.00 C ATOM 174 CD GLN A 11 -10.736 15.793 -2.806 1.00 0.00 C ATOM 175 OE1 GLN A 11 -10.855 16.372 -3.889 1.00 0.00 O ATOM 176 NE2 GLN A 11 -10.081 16.302 -1.814 1.00 0.00 N ATOM 0 H GLN A 11 -10.187 11.905 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.006 12.329 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.446 13.459 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.054 14.078 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.352 14.585 -2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.767 13.925 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.007 15.790 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.639 17.216 -1.910 1.00 0.00 H new ATOM 185 N GLN A 12 -11.458 10.387 -4.944 1.00 0.00 N ATOM 186 CA GLN A 12 -11.610 9.523 -6.086 1.00 0.00 C ATOM 187 C GLN A 12 -12.561 8.395 -5.775 1.00 0.00 C ATOM 188 O GLN A 12 -13.300 7.941 -6.645 1.00 0.00 O ATOM 189 CB GLN A 12 -10.274 8.978 -6.583 1.00 0.00 C ATOM 190 CG GLN A 12 -9.383 10.028 -7.218 1.00 0.00 C ATOM 191 CD GLN A 12 -8.113 9.443 -7.782 1.00 0.00 C ATOM 192 OE1 GLN A 12 -7.080 9.361 -7.109 1.00 0.00 O ATOM 193 NE2 GLN A 12 -8.171 9.014 -9.007 1.00 0.00 N ATOM 0 H GLN A 12 -10.699 10.127 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.029 10.127 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.744 8.523 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.462 8.187 -7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.931 10.532 -8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.132 10.785 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.039 9.096 -9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.348 8.595 -9.440 1.00 0.00 H new ATOM 202 N SER A 13 -12.565 7.956 -4.534 1.00 0.00 N ATOM 203 CA SER A 13 -13.421 6.880 -4.132 1.00 0.00 C ATOM 204 C SER A 13 -13.511 6.832 -2.617 1.00 0.00 C ATOM 205 O SER A 13 -14.553 7.158 -2.036 1.00 0.00 O ATOM 206 CB SER A 13 -12.899 5.548 -4.707 1.00 0.00 C ATOM 207 OG SER A 13 -13.788 4.472 -4.465 1.00 0.00 O ATOM 0 H SER A 13 -11.980 8.335 -3.790 1.00 0.00 H new ATOM 0 HA SER A 13 -14.424 7.045 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.745 5.654 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.928 5.320 -4.266 1.00 0.00 H new ATOM 0 HG SER A 13 -13.418 3.649 -4.848 1.00 0.00 H new ATOM 213 N GLY A 14 -12.416 6.509 -1.995 1.00 0.00 N ATOM 214 CA GLY A 14 -12.360 6.380 -0.573 1.00 0.00 C ATOM 215 C GLY A 14 -10.938 6.330 -0.136 1.00 0.00 C ATOM 216 O GLY A 14 -10.047 6.166 -0.977 1.00 0.00 O ATOM 0 H GLY A 14 -11.530 6.327 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.868 7.221 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.881 5.476 -0.258 1.00 0.00 H new ATOM 220 N GLU A 15 -10.706 6.496 1.139 1.00 0.00 N ATOM 221 CA GLU A 15 -9.368 6.484 1.675 1.00 0.00 C ATOM 222 C GLU A 15 -8.733 5.099 1.579 1.00 0.00 C ATOM 223 O GLU A 15 -9.393 4.068 1.752 1.00 0.00 O ATOM 224 CB GLU A 15 -9.317 6.984 3.130 1.00 0.00 C ATOM 225 CG GLU A 15 -9.994 8.322 3.380 1.00 0.00 C ATOM 226 CD GLU A 15 -11.464 8.191 3.733 1.00 0.00 C ATOM 227 OE1 GLU A 15 -12.296 7.880 2.855 1.00 0.00 O ATOM 228 OE2 GLU A 15 -11.818 8.391 4.918 1.00 0.00 O ATOM 0 H GLU A 15 -11.437 6.643 1.835 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.791 7.175 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.782 6.235 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.273 7.061 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.477 8.838 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.895 8.944 2.491 1.00 0.00 H new ATOM 235 N TYR A 16 -7.478 5.100 1.272 1.00 0.00 N ATOM 236 CA TYR A 16 -6.670 3.903 1.170 1.00 0.00 C ATOM 237 C TYR A 16 -5.312 4.222 1.785 1.00 0.00 C ATOM 238 O TYR A 16 -4.392 3.400 1.817 1.00 0.00 O ATOM 239 CB TYR A 16 -6.569 3.551 -0.329 1.00 0.00 C ATOM 240 CG TYR A 16 -5.645 2.422 -0.722 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.892 1.108 -0.347 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.527 2.682 -1.497 1.00 0.00 C ATOM 243 CE1 TYR A 16 -5.040 0.089 -0.737 1.00 0.00 C ATOM 244 CE2 TYR A 16 -3.686 1.677 -1.891 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.939 0.388 -1.515 1.00 0.00 C ATOM 246 OH TYR A 16 -3.096 -0.613 -1.926 1.00 0.00 O ATOM 0 H TYR A 16 -6.958 5.956 1.077 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.092 3.047 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.570 3.305 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.252 4.446 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.758 0.878 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.315 3.698 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.234 -0.930 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.822 1.903 -2.499 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.373 -0.231 -2.466 1.00 0.00 H new ATOM 256 N GLU A 17 -5.275 5.392 2.391 1.00 0.00 N ATOM 257 CA GLU A 17 -4.117 5.974 2.970 1.00 0.00 C ATOM 258 C GLU A 17 -4.600 6.895 4.089 1.00 0.00 C ATOM 259 O GLU A 17 -5.722 7.445 4.013 1.00 0.00 O ATOM 260 CB GLU A 17 -3.346 6.810 1.913 1.00 0.00 C ATOM 261 CG GLU A 17 -2.787 6.021 0.727 1.00 0.00 C ATOM 262 CD GLU A 17 -2.033 6.881 -0.270 1.00 0.00 C ATOM 263 OE1 GLU A 17 -2.655 7.767 -0.905 1.00 0.00 O ATOM 264 OE2 GLU A 17 -0.810 6.669 -0.440 1.00 0.00 O ATOM 0 H GLU A 17 -6.103 5.979 2.489 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.446 5.202 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.012 7.583 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.520 7.319 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.121 5.243 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.608 5.520 0.215 1.00 0.00 H new ATOM 271 N ILE A 18 -3.809 7.045 5.120 1.00 0.00 N ATOM 272 CA ILE A 18 -4.159 7.932 6.212 1.00 0.00 C ATOM 273 C ILE A 18 -3.622 9.342 5.906 1.00 0.00 C ATOM 274 O ILE A 18 -2.754 9.480 5.053 1.00 0.00 O ATOM 275 CB ILE A 18 -3.693 7.381 7.614 1.00 0.00 C ATOM 276 CG1 ILE A 18 -4.152 8.280 8.775 1.00 0.00 C ATOM 277 CG2 ILE A 18 -2.202 7.150 7.667 1.00 0.00 C ATOM 278 CD1 ILE A 18 -3.751 7.777 10.145 1.00 0.00 C ATOM 0 H ILE A 18 -2.915 6.566 5.231 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.245 7.988 6.289 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.181 6.414 7.737 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.739 9.279 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.237 8.376 8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.927 6.771 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.919 6.423 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.681 8.090 7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.113 8.468 10.907 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.186 6.792 10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.665 7.709 10.204 1.00 0.00 H new ATOM 290 N HIS A 19 -4.157 10.391 6.547 1.00 0.00 N ATOM 291 CA HIS A 19 -3.707 11.770 6.312 1.00 0.00 C ATOM 292 C HIS A 19 -2.324 11.980 6.928 1.00 0.00 C ATOM 293 O HIS A 19 -2.152 12.570 7.992 1.00 0.00 O ATOM 294 CB HIS A 19 -4.720 12.807 6.838 1.00 0.00 C ATOM 295 CG HIS A 19 -4.371 14.230 6.503 1.00 0.00 C ATOM 296 ND1 HIS A 19 -4.047 15.184 7.437 1.00 0.00 N ATOM 297 CD2 HIS A 19 -4.302 14.845 5.303 1.00 0.00 C ATOM 298 CE1 HIS A 19 -3.794 16.324 6.794 1.00 0.00 C ATOM 299 NE2 HIS A 19 -3.934 16.172 5.488 1.00 0.00 N ATOM 0 H HIS A 19 -4.905 10.309 7.235 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.638 11.923 5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.704 12.579 6.427 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.796 12.708 7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.501 14.379 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.512 17.249 7.276 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.800 16.881 4.767 1.00 0.00 H new ATOM 307 N MET A 20 -1.403 11.364 6.300 1.00 0.00 N ATOM 308 CA MET A 20 -0.003 11.376 6.610 1.00 0.00 C ATOM 309 C MET A 20 0.725 11.529 5.278 1.00 0.00 C ATOM 310 O MET A 20 0.047 11.662 4.242 1.00 0.00 O ATOM 311 CB MET A 20 0.366 10.059 7.302 1.00 0.00 C ATOM 312 CG MET A 20 -0.209 9.883 8.703 1.00 0.00 C ATOM 313 SD MET A 20 0.259 11.193 9.849 1.00 0.00 S ATOM 314 CE MET A 20 -0.583 10.624 11.329 1.00 0.00 C ATOM 0 H MET A 20 -1.610 10.786 5.486 1.00 0.00 H new ATOM 0 HA MET A 20 0.270 12.187 7.285 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.026 9.231 6.680 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.452 9.989 7.360 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.296 9.841 8.637 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.123 8.926 9.105 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.399 11.324 12.144 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.654 10.564 11.138 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.208 9.638 11.605 1.00 0.00 H new ATOM 324 N LYS A 21 2.051 11.481 5.249 1.00 0.00 N ATOM 325 CA LYS A 21 2.750 11.684 3.980 1.00 0.00 C ATOM 326 C LYS A 21 2.834 10.409 3.205 1.00 0.00 C ATOM 327 O LYS A 21 3.416 9.437 3.654 1.00 0.00 O ATOM 328 CB LYS A 21 4.132 12.307 4.132 1.00 0.00 C ATOM 329 CG LYS A 21 4.126 13.690 4.740 1.00 0.00 C ATOM 330 CD LYS A 21 5.426 14.403 4.436 1.00 0.00 C ATOM 331 CE LYS A 21 5.505 15.746 5.118 1.00 0.00 C ATOM 332 NZ LYS A 21 5.537 15.606 6.580 1.00 0.00 N ATOM 0 H LYS A 21 2.650 11.310 6.057 1.00 0.00 H new ATOM 0 HA LYS A 21 2.150 12.405 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.747 11.653 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.606 12.356 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.288 14.264 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.985 13.620 5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.263 13.783 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.523 14.537 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.398 16.274 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.648 16.353 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.859 16.498 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.583 15.380 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.191 14.841 6.841 1.00 0.00 H new ATOM 346 N ARG A 22 2.242 10.413 2.056 1.00 0.00 N ATOM 347 CA ARG A 22 2.189 9.259 1.238 1.00 0.00 C ATOM 348 C ARG A 22 3.096 9.425 0.026 1.00 0.00 C ATOM 349 O ARG A 22 3.176 10.518 -0.562 1.00 0.00 O ATOM 350 CB ARG A 22 0.712 9.003 0.844 1.00 0.00 C ATOM 351 CG ARG A 22 0.111 9.831 -0.303 1.00 0.00 C ATOM 352 CD ARG A 22 0.328 11.336 -0.183 1.00 0.00 C ATOM 353 NE ARG A 22 -0.041 11.955 1.092 1.00 0.00 N ATOM 354 CZ ARG A 22 0.105 13.283 1.334 1.00 0.00 C ATOM 355 NH1 ARG A 22 0.421 14.115 0.341 1.00 0.00 N ATOM 356 NH2 ARG A 22 -0.075 13.763 2.549 1.00 0.00 N ATOM 0 H ARG A 22 1.778 11.230 1.659 1.00 0.00 H new ATOM 0 HA ARG A 22 2.556 8.388 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.616 7.950 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.098 9.167 1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.542 9.489 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.960 9.635 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.382 11.544 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.238 11.826 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.424 11.363 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.554 13.754 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.530 15.112 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.325 13.136 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.036 14.762 2.724 1.00 0.00 H new ATOM 370 N ALA A 23 3.824 8.399 -0.292 1.00 0.00 N ATOM 371 CA ALA A 23 4.659 8.414 -1.445 1.00 0.00 C ATOM 372 C ALA A 23 4.622 7.032 -2.042 1.00 0.00 C ATOM 373 O ALA A 23 5.305 6.114 -1.585 1.00 0.00 O ATOM 374 CB ALA A 23 6.065 8.855 -1.090 1.00 0.00 C ATOM 0 H ALA A 23 3.854 7.530 0.242 1.00 0.00 H new ATOM 0 HA ALA A 23 4.300 9.136 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.683 8.858 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.035 9.859 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.489 8.166 -0.360 1.00 0.00 H new ATOM 380 N GLY A 24 3.776 6.862 -3.011 1.00 0.00 N ATOM 381 CA GLY A 24 3.603 5.576 -3.596 1.00 0.00 C ATOM 382 C GLY A 24 4.031 5.483 -5.020 1.00 0.00 C ATOM 383 O GLY A 24 3.212 5.593 -5.901 1.00 0.00 O ATOM 0 H GLY A 24 3.196 7.600 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.165 4.847 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.551 5.298 -3.527 1.00 0.00 H new ATOM 387 N PHE A 25 5.305 5.241 -5.249 1.00 0.00 N ATOM 388 CA PHE A 25 5.828 5.159 -6.614 1.00 0.00 C ATOM 389 C PHE A 25 5.323 3.912 -7.352 1.00 0.00 C ATOM 390 O PHE A 25 4.350 3.978 -8.073 1.00 0.00 O ATOM 391 CB PHE A 25 7.370 5.216 -6.651 1.00 0.00 C ATOM 392 CG PHE A 25 7.983 6.496 -6.141 1.00 0.00 C ATOM 393 CD1 PHE A 25 8.220 6.682 -4.788 1.00 0.00 C ATOM 394 CD2 PHE A 25 8.339 7.506 -7.019 1.00 0.00 C ATOM 395 CE1 PHE A 25 8.796 7.848 -4.325 1.00 0.00 C ATOM 396 CE2 PHE A 25 8.914 8.674 -6.558 1.00 0.00 C ATOM 397 CZ PHE A 25 9.140 8.843 -5.208 1.00 0.00 C ATOM 0 H PHE A 25 6.001 5.097 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 25 5.447 6.037 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.761 4.386 -6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.698 5.061 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.951 5.905 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.165 7.379 -8.077 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.976 7.978 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.186 9.454 -7.254 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.587 9.757 -4.845 1.00 0.00 H new ATOM 407 N ARG A 26 5.935 2.765 -7.117 1.00 0.00 N ATOM 408 CA ARG A 26 5.527 1.567 -7.858 1.00 0.00 C ATOM 409 C ARG A 26 4.189 1.004 -7.417 1.00 0.00 C ATOM 410 O ARG A 26 3.422 0.535 -8.242 1.00 0.00 O ATOM 411 CB ARG A 26 6.597 0.481 -7.881 1.00 0.00 C ATOM 412 CG ARG A 26 7.935 0.956 -8.422 1.00 0.00 C ATOM 413 CD ARG A 26 8.796 -0.199 -8.916 1.00 0.00 C ATOM 414 NE ARG A 26 8.341 -0.708 -10.226 1.00 0.00 N ATOM 415 CZ ARG A 26 7.771 -1.897 -10.477 1.00 0.00 C ATOM 416 NH1 ARG A 26 7.406 -2.682 -9.487 1.00 0.00 N ATOM 417 NH2 ARG A 26 7.546 -2.267 -11.734 1.00 0.00 N ATOM 0 H ARG A 26 6.691 2.630 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 26 5.398 1.917 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.738 0.100 -6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.244 -0.352 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.767 1.657 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.469 1.498 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.832 0.129 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.772 -1.007 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 26 8.474 -0.089 -11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.556 -2.388 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.973 -3.584 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.806 -1.648 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.113 -3.170 -11.930 1.00 0.00 H new ATOM 431 N GLU A 27 3.858 1.127 -6.132 1.00 0.00 N ATOM 432 CA GLU A 27 2.610 0.569 -5.641 1.00 0.00 C ATOM 433 C GLU A 27 1.431 1.375 -6.192 1.00 0.00 C ATOM 434 O GLU A 27 0.294 0.934 -6.148 1.00 0.00 O ATOM 435 CB GLU A 27 2.656 0.479 -4.119 1.00 0.00 C ATOM 436 CG GLU A 27 1.476 -0.160 -3.387 1.00 0.00 C ATOM 437 CD GLU A 27 0.954 -1.387 -4.009 1.00 0.00 C ATOM 438 OE1 GLU A 27 1.709 -2.332 -4.267 1.00 0.00 O ATOM 439 OE2 GLU A 27 -0.260 -1.468 -4.204 1.00 0.00 O ATOM 0 H GLU A 27 4.427 1.599 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 27 2.467 -0.450 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.554 -0.076 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.777 1.490 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.781 -0.389 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.669 0.569 -3.323 1.00 0.00 H new ATOM 446 N CYS A 28 1.722 2.569 -6.753 1.00 0.00 N ATOM 447 CA CYS A 28 0.680 3.353 -7.388 1.00 0.00 C ATOM 448 C CYS A 28 0.073 2.545 -8.557 1.00 0.00 C ATOM 449 O CYS A 28 -1.113 2.639 -8.849 1.00 0.00 O ATOM 450 CB CYS A 28 1.223 4.651 -7.936 1.00 0.00 C ATOM 451 SG CYS A 28 -0.037 5.745 -8.627 1.00 0.00 S ATOM 0 H CYS A 28 2.651 2.990 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.076 3.578 -6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.749 5.178 -7.139 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.958 4.427 -8.709 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.607 6.411 -7.667 1.00 0.00 H new ATOM 457 N ALA A 29 0.908 1.720 -9.190 1.00 0.00 N ATOM 458 CA ALA A 29 0.483 0.900 -10.293 1.00 0.00 C ATOM 459 C ALA A 29 -0.448 -0.168 -9.814 1.00 0.00 C ATOM 460 O ALA A 29 -1.536 -0.378 -10.374 1.00 0.00 O ATOM 461 CB ALA A 29 1.672 0.311 -11.032 1.00 0.00 C ATOM 0 H ALA A 29 1.892 1.611 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.055 1.528 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.318 -0.303 -11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.295 1.117 -11.419 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.257 -0.304 -10.348 1.00 0.00 H new ATOM 467 N ALA A 30 -0.058 -0.786 -8.756 1.00 0.00 N ATOM 468 CA ALA A 30 -0.794 -1.842 -8.162 1.00 0.00 C ATOM 469 C ALA A 30 -2.115 -1.399 -7.582 1.00 0.00 C ATOM 470 O ALA A 30 -3.125 -2.072 -7.776 1.00 0.00 O ATOM 471 CB ALA A 30 0.014 -2.403 -7.101 1.00 0.00 C ATOM 0 H ALA A 30 0.808 -0.563 -8.266 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.020 -2.569 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.528 -3.220 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.948 -2.781 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.231 -1.632 -6.362 1.00 0.00 H new ATOM 477 N MET A 31 -2.109 -0.281 -6.862 1.00 0.00 N ATOM 478 CA MET A 31 -3.314 0.227 -6.205 1.00 0.00 C ATOM 479 C MET A 31 -4.456 0.441 -7.184 1.00 0.00 C ATOM 480 O MET A 31 -5.619 0.247 -6.836 1.00 0.00 O ATOM 481 CB MET A 31 -3.044 1.479 -5.348 1.00 0.00 C ATOM 482 CG MET A 31 -2.555 2.695 -6.103 1.00 0.00 C ATOM 483 SD MET A 31 -2.169 4.101 -5.022 1.00 0.00 S ATOM 484 CE MET A 31 -0.872 3.428 -3.967 1.00 0.00 C ATOM 0 H MET A 31 -1.280 0.295 -6.717 1.00 0.00 H new ATOM 0 HA MET A 31 -3.632 -0.553 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.963 1.744 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.306 1.224 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.665 2.427 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.315 2.997 -6.824 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.285 3.199 -2.984 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.475 2.517 -4.415 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.071 4.160 -3.863 1.00 0.00 H new ATOM 494 N ILE A 32 -4.119 0.778 -8.424 1.00 0.00 N ATOM 495 CA ILE A 32 -5.113 0.959 -9.471 1.00 0.00 C ATOM 496 C ILE A 32 -5.879 -0.364 -9.690 1.00 0.00 C ATOM 497 O ILE A 32 -7.104 -0.390 -9.803 1.00 0.00 O ATOM 498 CB ILE A 32 -4.442 1.409 -10.805 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.722 2.766 -10.641 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.451 1.473 -11.945 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.618 3.919 -10.218 1.00 0.00 C ATOM 0 H ILE A 32 -3.158 0.932 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.808 1.738 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.696 0.656 -11.059 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.928 2.653 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.244 3.024 -11.586 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.948 1.790 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.892 0.488 -12.097 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.236 2.187 -11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.023 4.828 -10.129 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.398 4.067 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.076 3.690 -9.256 1.00 0.00 H new ATOM 513 N GLU A 33 -5.149 -1.451 -9.661 1.00 0.00 N ATOM 514 CA GLU A 33 -5.711 -2.772 -9.876 1.00 0.00 C ATOM 515 C GLU A 33 -6.373 -3.283 -8.592 1.00 0.00 C ATOM 516 O GLU A 33 -7.416 -3.944 -8.625 1.00 0.00 O ATOM 517 CB GLU A 33 -4.602 -3.719 -10.323 1.00 0.00 C ATOM 518 CG GLU A 33 -3.857 -3.240 -11.553 1.00 0.00 C ATOM 519 CD GLU A 33 -4.736 -3.175 -12.772 1.00 0.00 C ATOM 520 OE1 GLU A 33 -5.410 -2.151 -12.996 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.746 -4.148 -13.556 1.00 0.00 O ATOM 0 H GLU A 33 -4.144 -1.450 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.475 -2.722 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.893 -3.847 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.033 -4.699 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.438 -2.253 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.019 -3.909 -11.749 1.00 0.00 H new ATOM 528 N LYS A 34 -5.787 -2.915 -7.460 1.00 0.00 N ATOM 529 CA LYS A 34 -6.257 -3.318 -6.122 1.00 0.00 C ATOM 530 C LYS A 34 -7.584 -2.686 -5.777 1.00 0.00 C ATOM 531 O LYS A 34 -8.267 -3.107 -4.845 1.00 0.00 O ATOM 532 CB LYS A 34 -5.190 -2.980 -5.089 1.00 0.00 C ATOM 533 CG LYS A 34 -4.024 -3.956 -5.148 1.00 0.00 C ATOM 534 CD LYS A 34 -2.735 -3.409 -4.593 1.00 0.00 C ATOM 535 CE LYS A 34 -1.632 -4.455 -4.738 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.360 -4.060 -4.119 1.00 0.00 N ATOM 0 H LYS A 34 -4.959 -2.320 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.423 -4.395 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.826 -1.967 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.630 -2.997 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.291 -4.858 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.864 -4.252 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.457 -2.497 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.863 -3.143 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.969 -5.390 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.465 -4.650 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.374 -3.983 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.475 -3.141 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.077 -4.776 -3.420 1.00 0.00 H new ATOM 550 N LYS A 35 -7.943 -1.705 -6.564 1.00 0.00 N ATOM 551 CA LYS A 35 -9.185 -0.992 -6.453 1.00 0.00 C ATOM 552 C LYS A 35 -10.373 -1.933 -6.727 1.00 0.00 C ATOM 553 O LYS A 35 -11.457 -1.765 -6.168 1.00 0.00 O ATOM 554 CB LYS A 35 -9.159 0.117 -7.492 1.00 0.00 C ATOM 555 CG LYS A 35 -10.391 0.966 -7.571 1.00 0.00 C ATOM 556 CD LYS A 35 -10.351 1.832 -8.815 1.00 0.00 C ATOM 557 CE LYS A 35 -11.571 2.709 -8.906 1.00 0.00 C ATOM 558 NZ LYS A 35 -11.670 3.629 -7.756 1.00 0.00 N ATOM 0 H LYS A 35 -7.355 -1.370 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.303 -0.588 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.307 0.764 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.986 -0.332 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.278 0.332 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.466 1.595 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.454 2.452 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.288 1.199 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.537 3.285 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.464 2.086 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.347 4.387 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.996 3.105 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.736 4.044 -7.562 1.00 0.00 H new ATOM 572 N ALA A 36 -10.147 -2.928 -7.571 1.00 0.00 N ATOM 573 CA ALA A 36 -11.188 -3.854 -7.959 1.00 0.00 C ATOM 574 C ALA A 36 -11.487 -4.865 -6.848 1.00 0.00 C ATOM 575 O ALA A 36 -12.652 -5.113 -6.512 1.00 0.00 O ATOM 576 CB ALA A 36 -10.815 -4.565 -9.249 1.00 0.00 C ATOM 0 H ALA A 36 -9.241 -3.112 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.097 -3.278 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.610 -5.258 -9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.681 -3.831 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.886 -5.117 -9.105 1.00 0.00 H new ATOM 582 N ARG A 37 -10.446 -5.447 -6.280 1.00 0.00 N ATOM 583 CA ARG A 37 -10.601 -6.412 -5.197 1.00 0.00 C ATOM 584 C ARG A 37 -9.312 -6.576 -4.448 1.00 0.00 C ATOM 585 O ARG A 37 -9.165 -6.082 -3.360 1.00 0.00 O ATOM 586 CB ARG A 37 -11.049 -7.795 -5.690 1.00 0.00 C ATOM 587 CG ARG A 37 -11.233 -8.798 -4.546 1.00 0.00 C ATOM 588 CD ARG A 37 -11.527 -10.197 -5.039 1.00 0.00 C ATOM 589 NE ARG A 37 -12.833 -10.312 -5.689 1.00 0.00 N ATOM 590 CZ ARG A 37 -13.222 -11.371 -6.422 1.00 0.00 C ATOM 591 NH1 ARG A 37 -12.387 -12.390 -6.635 1.00 0.00 N ATOM 592 NH2 ARG A 37 -14.444 -11.414 -6.926 1.00 0.00 N ATOM 0 H ARG A 37 -9.478 -5.270 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.378 -6.010 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.987 -7.696 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.311 -8.183 -6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.331 -8.815 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.048 -8.465 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.750 -10.500 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.484 -10.889 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.490 -9.540 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.446 -12.370 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.689 -13.189 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.092 -10.644 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.739 -12.217 -7.482 1.00 0.00 H new ATOM 606 N ARG A 38 -8.376 -7.266 -5.060 1.00 0.00 N ATOM 607 CA ARG A 38 -7.108 -7.557 -4.460 1.00 0.00 C ATOM 608 C ARG A 38 -6.182 -8.040 -5.542 1.00 0.00 C ATOM 609 O ARG A 38 -6.522 -8.968 -6.261 1.00 0.00 O ATOM 610 CB ARG A 38 -7.262 -8.647 -3.389 1.00 0.00 C ATOM 611 CG ARG A 38 -5.969 -9.035 -2.692 1.00 0.00 C ATOM 612 CD ARG A 38 -6.201 -10.152 -1.688 1.00 0.00 C ATOM 613 NE ARG A 38 -6.679 -11.385 -2.328 1.00 0.00 N ATOM 614 CZ ARG A 38 -7.498 -12.281 -1.760 1.00 0.00 C ATOM 615 NH1 ARG A 38 -8.057 -12.035 -0.578 1.00 0.00 N ATOM 616 NH2 ARG A 38 -7.791 -13.403 -2.401 1.00 0.00 N ATOM 0 H ARG A 38 -8.483 -7.643 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.708 -6.662 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.975 -8.303 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.691 -9.536 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.235 -9.354 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.552 -8.166 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.272 -10.358 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.929 -9.825 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.363 -11.574 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.864 -11.158 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.679 -12.724 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.394 -13.582 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.414 -14.088 -1.972 1.00 0.00 H new ATOM 630 N VAL A 39 -5.053 -7.405 -5.685 1.00 0.00 N ATOM 631 CA VAL A 39 -4.084 -7.767 -6.722 1.00 0.00 C ATOM 632 C VAL A 39 -2.679 -7.756 -6.088 1.00 0.00 C ATOM 633 O VAL A 39 -2.524 -7.260 -4.961 1.00 0.00 O ATOM 634 CB VAL A 39 -4.184 -6.768 -7.954 1.00 0.00 C ATOM 635 CG1 VAL A 39 -3.206 -7.110 -9.080 1.00 0.00 C ATOM 636 CG2 VAL A 39 -5.601 -6.756 -8.519 1.00 0.00 C ATOM 0 H VAL A 39 -4.764 -6.623 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.295 -8.763 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.920 -5.784 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.322 -6.393 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.185 -7.067 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.414 -8.114 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.651 -6.067 -9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.868 -7.758 -8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.298 -6.434 -7.745 1.00 0.00 H new ATOM 646 N VAL A 40 -1.698 -8.325 -6.767 1.00 0.00 N ATOM 647 CA VAL A 40 -0.320 -8.385 -6.291 1.00 0.00 C ATOM 648 C VAL A 40 0.583 -7.510 -7.185 1.00 0.00 C ATOM 649 O VAL A 40 0.291 -7.326 -8.366 1.00 0.00 O ATOM 650 CB VAL A 40 0.193 -9.874 -6.267 1.00 0.00 C ATOM 651 CG1 VAL A 40 0.078 -10.524 -7.641 1.00 0.00 C ATOM 652 CG2 VAL A 40 1.630 -9.984 -5.749 1.00 0.00 C ATOM 0 H VAL A 40 -1.834 -8.765 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.282 -7.999 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.452 -10.411 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.440 -11.551 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.965 -10.523 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.676 -9.964 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.939 -11.029 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.294 -9.408 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.681 -9.593 -4.733 1.00 0.00 H new ATOM 662 N HIS A 41 1.639 -6.946 -6.616 1.00 0.00 N ATOM 663 CA HIS A 41 2.574 -6.148 -7.364 1.00 0.00 C ATOM 664 C HIS A 41 3.938 -6.487 -6.833 1.00 0.00 C ATOM 665 O HIS A 41 4.143 -6.514 -5.605 1.00 0.00 O ATOM 666 CB HIS A 41 2.261 -4.661 -7.178 1.00 0.00 C ATOM 667 CG HIS A 41 2.964 -3.680 -8.123 1.00 0.00 C ATOM 668 ND1 HIS A 41 2.532 -3.382 -9.418 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.076 -2.926 -7.938 1.00 0.00 C ATOM 670 CE1 HIS A 41 3.397 -2.516 -9.945 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.348 -2.208 -9.092 1.00 0.00 N ATOM 0 H HIS A 41 1.863 -7.034 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 41 2.516 -6.353 -8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 41 1.185 -4.525 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.515 -4.387 -6.154 1.00 0.00 H new ATOM 0 HD1 HIS A 41 1.703 -3.760 -9.877 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.660 -2.890 -7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.325 -2.118 -10.946 1.00 0.00 H new ATOM 679 N ILE A 42 4.825 -6.807 -7.717 1.00 0.00 N ATOM 680 CA ILE A 42 6.153 -7.194 -7.361 1.00 0.00 C ATOM 681 C ILE A 42 7.039 -5.973 -7.520 1.00 0.00 C ATOM 682 O ILE A 42 6.907 -5.242 -8.510 1.00 0.00 O ATOM 683 CB ILE A 42 6.684 -8.399 -8.226 1.00 0.00 C ATOM 684 CG1 ILE A 42 5.831 -9.687 -8.053 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.143 -8.717 -7.913 1.00 0.00 C ATOM 686 CD1 ILE A 42 4.469 -9.676 -8.731 1.00 0.00 C ATOM 0 H ILE A 42 4.646 -6.807 -8.721 1.00 0.00 H new ATOM 0 HA ILE A 42 6.163 -7.549 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 42 6.600 -8.073 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.401 -10.532 -8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.684 -9.862 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.473 -9.553 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.760 -7.844 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.240 -8.981 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.962 -10.623 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.870 -8.858 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.598 -9.539 -9.805 1.00 0.00 H new ATOM 698 N LYS A 43 7.920 -5.760 -6.544 1.00 0.00 N ATOM 699 CA LYS A 43 8.823 -4.596 -6.462 1.00 0.00 C ATOM 700 C LYS A 43 8.031 -3.326 -6.110 1.00 0.00 C ATOM 701 O LYS A 43 8.055 -2.356 -6.860 1.00 0.00 O ATOM 702 CB LYS A 43 9.641 -4.327 -7.752 1.00 0.00 C ATOM 703 CG LYS A 43 10.563 -5.423 -8.212 1.00 0.00 C ATOM 704 CD LYS A 43 11.261 -5.005 -9.487 1.00 0.00 C ATOM 705 CE LYS A 43 12.140 -6.105 -10.035 1.00 0.00 C ATOM 706 NZ LYS A 43 12.763 -5.723 -11.318 1.00 0.00 N ATOM 0 H LYS A 43 8.034 -6.406 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 43 9.537 -4.847 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.941 -4.111 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.235 -3.427 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.299 -5.640 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.998 -6.340 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.517 -4.729 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.866 -4.118 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.918 -6.343 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.547 -7.009 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.358 -6.504 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.021 -5.520 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.350 -4.875 -11.180 1.00 0.00 H new ATOM 720 N PRO A 44 7.280 -3.306 -5.002 1.00 0.00 N ATOM 721 CA PRO A 44 6.560 -2.123 -4.617 1.00 0.00 C ATOM 722 C PRO A 44 7.542 -1.076 -4.057 1.00 0.00 C ATOM 723 O PRO A 44 8.465 -1.398 -3.290 1.00 0.00 O ATOM 724 CB PRO A 44 5.574 -2.639 -3.570 1.00 0.00 C ATOM 725 CG PRO A 44 6.273 -3.785 -2.947 1.00 0.00 C ATOM 726 CD PRO A 44 7.075 -4.403 -4.038 1.00 0.00 C ATOM 0 HA PRO A 44 6.044 -1.619 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.335 -1.871 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.633 -2.947 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.913 -3.456 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.562 -4.498 -2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.024 -4.788 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.548 -5.241 -4.494 1.00 0.00 H new ATOM 734 N GLY A 45 7.379 0.147 -4.473 1.00 0.00 N ATOM 735 CA GLY A 45 8.277 1.193 -4.058 1.00 0.00 C ATOM 736 C GLY A 45 7.516 2.304 -3.447 1.00 0.00 C ATOM 737 O GLY A 45 7.662 3.465 -3.821 1.00 0.00 O ATOM 0 H GLY A 45 6.633 0.447 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.999 0.800 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.843 1.558 -4.915 1.00 0.00 H new ATOM 741 N GLU A 46 6.632 1.949 -2.591 1.00 0.00 N ATOM 742 CA GLU A 46 5.823 2.887 -1.924 1.00 0.00 C ATOM 743 C GLU A 46 6.152 2.921 -0.438 1.00 0.00 C ATOM 744 O GLU A 46 6.666 1.965 0.128 1.00 0.00 O ATOM 745 CB GLU A 46 4.357 2.474 -2.134 1.00 0.00 C ATOM 746 CG GLU A 46 3.728 1.523 -1.082 1.00 0.00 C ATOM 747 CD GLU A 46 4.426 0.179 -0.944 1.00 0.00 C ATOM 748 OE1 GLU A 46 5.265 -0.163 -1.794 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.200 -0.506 0.065 1.00 0.00 O ATOM 0 H GLU A 46 6.450 0.979 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 46 6.001 3.885 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.753 3.381 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.278 1.996 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.733 2.021 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.685 1.350 -1.346 1.00 0.00 H new ATOM 756 N LYS A 47 5.906 4.033 0.146 1.00 0.00 N ATOM 757 CA LYS A 47 6.047 4.229 1.560 1.00 0.00 C ATOM 758 C LYS A 47 4.915 5.076 1.950 1.00 0.00 C ATOM 759 O LYS A 47 5.044 6.240 2.287 1.00 0.00 O ATOM 760 CB LYS A 47 7.378 4.814 2.047 1.00 0.00 C ATOM 761 CG LYS A 47 8.397 5.102 0.990 1.00 0.00 C ATOM 762 CD LYS A 47 8.031 6.365 0.308 1.00 0.00 C ATOM 763 CE LYS A 47 8.723 6.509 -1.003 1.00 0.00 C ATOM 764 NZ LYS A 47 10.171 6.642 -0.851 1.00 0.00 N ATOM 0 H LYS A 47 5.590 4.865 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 47 6.049 3.250 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.170 5.739 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.815 4.120 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.389 5.186 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.438 4.283 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.952 6.395 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.286 7.210 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.503 5.642 -1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.332 7.383 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.559 7.160 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.382 7.163 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.603 5.697 -0.804 1.00 0.00 H new ATOM 778 N ILE A 48 3.791 4.515 1.723 1.00 0.00 N ATOM 779 CA ILE A 48 2.555 5.126 1.995 1.00 0.00 C ATOM 780 C ILE A 48 2.392 5.356 3.477 1.00 0.00 C ATOM 781 O ILE A 48 2.307 4.418 4.273 1.00 0.00 O ATOM 782 CB ILE A 48 1.348 4.338 1.386 1.00 0.00 C ATOM 783 CG1 ILE A 48 1.315 2.870 1.873 1.00 0.00 C ATOM 784 CG2 ILE A 48 1.413 4.395 -0.138 1.00 0.00 C ATOM 785 CD1 ILE A 48 0.113 2.079 1.388 1.00 0.00 C ATOM 0 H ILE A 48 3.706 3.579 1.326 1.00 0.00 H new ATOM 0 HA ILE A 48 2.555 6.098 1.501 1.00 0.00 H new ATOM 0 HB ILE A 48 0.428 4.812 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.224 2.368 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.326 2.860 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.571 3.845 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.368 5.434 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.346 3.947 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.167 1.061 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.802 2.553 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.110 2.054 0.298 1.00 0.00 H new ATOM 797 N LEU A 49 2.537 6.617 3.835 1.00 0.00 N ATOM 798 CA LEU A 49 2.359 7.180 5.182 1.00 0.00 C ATOM 799 C LEU A 49 3.444 6.774 6.164 1.00 0.00 C ATOM 800 O LEU A 49 3.539 7.330 7.268 1.00 0.00 O ATOM 801 CB LEU A 49 0.970 6.863 5.793 1.00 0.00 C ATOM 802 CG LEU A 49 -0.288 7.098 4.930 1.00 0.00 C ATOM 803 CD1 LEU A 49 -0.159 8.286 4.019 1.00 0.00 C ATOM 804 CD2 LEU A 49 -0.726 5.840 4.199 1.00 0.00 C ATOM 0 H LEU A 49 2.799 7.332 3.156 1.00 0.00 H new ATOM 0 HA LEU A 49 2.435 8.256 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.973 5.816 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.864 7.457 6.701 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.092 7.347 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.074 8.400 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.008 9.184 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.683 8.137 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.614 6.055 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.076 5.503 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.954 5.059 4.924 1.00 0.00 H new ATOM 816 N GLY A 50 4.256 5.838 5.762 1.00 0.00 N ATOM 817 CA GLY A 50 5.270 5.288 6.629 1.00 0.00 C ATOM 818 C GLY A 50 4.644 4.169 7.445 1.00 0.00 C ATOM 819 O GLY A 50 5.301 3.507 8.243 1.00 0.00 O ATOM 0 H GLY A 50 4.237 5.432 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.106 4.908 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.667 6.061 7.287 1.00 0.00 H new ATOM 823 N ALA A 51 3.355 3.979 7.201 1.00 0.00 N ATOM 824 CA ALA A 51 2.515 3.018 7.848 1.00 0.00 C ATOM 825 C ALA A 51 1.321 2.795 6.948 1.00 0.00 C ATOM 826 O ALA A 51 0.606 3.743 6.617 1.00 0.00 O ATOM 827 CB ALA A 51 2.049 3.540 9.199 1.00 0.00 C ATOM 0 H ALA A 51 2.853 4.529 6.505 1.00 0.00 H new ATOM 0 HA ALA A 51 3.060 2.090 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.411 2.796 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.915 3.736 9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.487 4.463 9.058 1.00 0.00 H new ATOM 833 N ARG A 52 1.123 1.581 6.525 1.00 0.00 N ATOM 834 CA ARG A 52 0.033 1.249 5.615 1.00 0.00 C ATOM 835 C ARG A 52 -1.325 1.231 6.319 1.00 0.00 C ATOM 836 O ARG A 52 -1.772 0.199 6.822 1.00 0.00 O ATOM 837 CB ARG A 52 0.307 -0.070 4.871 1.00 0.00 C ATOM 838 CG ARG A 52 0.830 -1.181 5.771 1.00 0.00 C ATOM 839 CD ARG A 52 0.955 -2.497 5.046 1.00 0.00 C ATOM 840 NE ARG A 52 -0.359 -3.080 4.746 1.00 0.00 N ATOM 841 CZ ARG A 52 -0.635 -4.384 4.836 1.00 0.00 C ATOM 842 NH1 ARG A 52 0.324 -5.233 5.133 1.00 0.00 N ATOM 843 NH2 ARG A 52 -1.869 -4.825 4.620 1.00 0.00 N ATOM 0 H ARG A 52 1.703 0.786 6.792 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.014 2.044 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.613 -0.405 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.031 0.114 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.804 -0.895 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.160 -1.301 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.508 -2.350 4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.532 -3.194 5.654 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.106 -2.451 4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.273 -4.895 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.119 -6.230 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.612 -4.167 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.074 -5.822 4.690 1.00 0.00 H new ATOM 857 N ILE A 53 -1.953 2.378 6.381 1.00 0.00 N ATOM 858 CA ILE A 53 -3.231 2.525 7.025 1.00 0.00 C ATOM 859 C ILE A 53 -4.238 2.934 5.979 1.00 0.00 C ATOM 860 O ILE A 53 -3.978 3.852 5.220 1.00 0.00 O ATOM 861 CB ILE A 53 -3.162 3.620 8.122 1.00 0.00 C ATOM 862 CG1 ILE A 53 -2.021 3.305 9.108 1.00 0.00 C ATOM 863 CG2 ILE A 53 -4.503 3.725 8.865 1.00 0.00 C ATOM 864 CD1 ILE A 53 -1.762 4.375 10.146 1.00 0.00 C ATOM 0 H ILE A 53 -1.587 3.243 5.982 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.517 1.583 7.493 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.961 4.580 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.251 2.371 9.620 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.105 3.141 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.435 4.498 9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.292 3.983 8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.735 2.769 9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.942 4.063 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.497 5.308 9.649 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.660 4.526 10.745 1.00 0.00 H new ATOM 876 N ILE A 54 -5.361 2.243 5.933 1.00 0.00 N ATOM 877 CA ILE A 54 -6.407 2.527 4.961 1.00 0.00 C ATOM 878 C ILE A 54 -7.104 3.838 5.326 1.00 0.00 C ATOM 879 O ILE A 54 -7.405 4.658 4.475 1.00 0.00 O ATOM 880 CB ILE A 54 -7.452 1.362 4.923 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.769 0.016 4.595 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.584 1.645 3.936 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.047 -0.022 3.255 1.00 0.00 C ATOM 0 H ILE A 54 -5.576 1.471 6.564 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.954 2.619 3.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.892 1.293 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.054 -0.214 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.523 -0.771 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.287 0.812 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.102 2.559 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.172 1.766 2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.599 -1.005 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.758 0.173 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.266 0.738 3.241 1.00 0.00 H new ATOM 895 N GLY A 55 -7.335 4.024 6.600 1.00 0.00 N ATOM 896 CA GLY A 55 -7.998 5.225 7.064 1.00 0.00 C ATOM 897 C GLY A 55 -9.485 4.999 7.221 1.00 0.00 C ATOM 898 O GLY A 55 -10.247 5.901 7.595 1.00 0.00 O ATOM 0 H GLY A 55 -7.077 3.365 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.571 5.534 8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.823 6.037 6.358 1.00 0.00 H new ATOM 902 N ILE A 56 -9.891 3.807 6.927 1.00 0.00 N ATOM 903 CA ILE A 56 -11.257 3.401 7.020 1.00 0.00 C ATOM 904 C ILE A 56 -11.253 2.115 7.790 1.00 0.00 C ATOM 905 O ILE A 56 -10.444 1.252 7.465 1.00 0.00 O ATOM 906 CB ILE A 56 -11.854 3.099 5.613 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.649 4.281 4.659 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.342 2.757 5.723 1.00 0.00 C ATOM 909 CD1 ILE A 56 -12.179 4.043 3.264 1.00 0.00 C ATOM 0 H ILE A 56 -9.265 3.068 6.607 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.848 4.189 7.487 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.326 2.238 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.137 5.161 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.584 4.506 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.742 2.549 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.468 1.879 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.878 3.599 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.996 4.925 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.673 3.183 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.251 3.849 3.310 1.00 0.00 H new ATOM 921 N PRO A 57 -12.080 1.978 8.846 1.00 0.00 N ATOM 922 CA PRO A 57 -12.177 0.729 9.610 1.00 0.00 C ATOM 923 C PRO A 57 -12.779 -0.372 8.740 1.00 0.00 C ATOM 924 O PRO A 57 -13.975 -0.337 8.424 1.00 0.00 O ATOM 925 CB PRO A 57 -13.143 1.064 10.751 1.00 0.00 C ATOM 926 CG PRO A 57 -13.208 2.549 10.790 1.00 0.00 C ATOM 927 CD PRO A 57 -12.961 3.016 9.390 1.00 0.00 C ATOM 0 HA PRO A 57 -11.207 0.376 9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.128 0.632 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.786 0.661 11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.181 2.887 11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.461 2.953 11.473 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.888 3.097 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.488 3.998 9.370 1.00 0.00 H new ATOM 935 N PRO A 58 -11.975 -1.333 8.303 1.00 0.00 N ATOM 936 CA PRO A 58 -12.425 -2.379 7.439 1.00 0.00 C ATOM 937 C PRO A 58 -12.604 -3.675 8.193 1.00 0.00 C ATOM 938 O PRO A 58 -12.642 -3.695 9.427 1.00 0.00 O ATOM 939 CB PRO A 58 -11.218 -2.498 6.509 1.00 0.00 C ATOM 940 CG PRO A 58 -10.025 -2.270 7.405 1.00 0.00 C ATOM 941 CD PRO A 58 -10.535 -1.495 8.610 1.00 0.00 C ATOM 0 HA PRO A 58 -13.383 -2.181 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.177 -3.479 6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.260 -1.759 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.583 -3.218 7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.249 -1.710 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.378 -2.042 9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.032 -0.534 8.716 1.00 0.00 H new ATOM 949 N VAL A 59 -12.766 -4.732 7.463 1.00 0.00 N ATOM 950 CA VAL A 59 -12.851 -6.037 8.045 1.00 0.00 C ATOM 951 C VAL A 59 -11.462 -6.640 7.884 1.00 0.00 C ATOM 952 O VAL A 59 -11.090 -7.006 6.773 1.00 0.00 O ATOM 953 CB VAL A 59 -13.899 -6.929 7.323 1.00 0.00 C ATOM 954 CG1 VAL A 59 -14.052 -8.270 8.026 1.00 0.00 C ATOM 955 CG2 VAL A 59 -15.242 -6.222 7.231 1.00 0.00 C ATOM 0 H VAL A 59 -12.843 -4.717 6.446 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.168 -5.975 9.086 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.538 -7.113 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.791 -8.874 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.094 -8.790 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.380 -8.107 9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.958 -6.867 6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -15.605 -5.998 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -15.127 -5.294 6.671 1.00 0.00 H new ATOM 965 N PRO A 60 -10.633 -6.639 8.944 1.00 0.00 N ATOM 966 CA PRO A 60 -9.273 -7.111 8.870 1.00 0.00 C ATOM 967 C PRO A 60 -9.134 -8.606 9.119 1.00 0.00 C ATOM 968 O PRO A 60 -9.247 -9.089 10.252 1.00 0.00 O ATOM 969 CB PRO A 60 -8.541 -6.304 9.950 1.00 0.00 C ATOM 970 CG PRO A 60 -9.615 -5.629 10.755 1.00 0.00 C ATOM 971 CD PRO A 60 -10.935 -6.176 10.291 1.00 0.00 C ATOM 0 HA PRO A 60 -8.865 -6.971 7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.932 -6.954 10.578 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.869 -5.572 9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.474 -5.819 11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.577 -4.549 10.616 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.284 -6.987 10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.713 -5.412 10.292 1.00 0.00 H new ATOM 979 N ILE A 61 -8.961 -9.321 8.054 1.00 0.00 N ATOM 980 CA ILE A 61 -8.749 -10.746 8.060 1.00 0.00 C ATOM 981 C ILE A 61 -7.555 -10.963 7.131 1.00 0.00 C ATOM 982 O ILE A 61 -7.165 -10.016 6.426 1.00 0.00 O ATOM 983 CB ILE A 61 -10.020 -11.489 7.488 1.00 0.00 C ATOM 984 CG1 ILE A 61 -11.272 -11.120 8.299 1.00 0.00 C ATOM 985 CG2 ILE A 61 -9.841 -13.013 7.464 1.00 0.00 C ATOM 986 CD1 ILE A 61 -12.561 -11.687 7.742 1.00 0.00 C ATOM 0 H ILE A 61 -8.962 -8.919 7.116 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.573 -11.134 9.063 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.146 -11.156 6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -11.145 -11.473 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -11.355 -10.034 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.741 -13.479 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.989 -13.269 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.666 -13.375 8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -13.396 -11.380 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -12.715 -11.314 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.502 -12.775 7.723 1.00 0.00 H new ATOM 998 N GLY A 62 -6.927 -12.105 7.160 1.00 0.00 N ATOM 999 CA GLY A 62 -5.857 -12.340 6.244 1.00 0.00 C ATOM 1000 C GLY A 62 -4.639 -12.919 6.885 1.00 0.00 C ATOM 1001 O GLY A 62 -4.654 -13.258 8.067 1.00 0.00 O ATOM 0 H GLY A 62 -7.135 -12.873 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.202 -13.016 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.591 -11.400 5.760 1.00 0.00 H new ATOM 1005 N ILE A 63 -3.594 -13.059 6.101 1.00 0.00 N ATOM 1006 CA ILE A 63 -2.327 -13.593 6.554 1.00 0.00 C ATOM 1007 C ILE A 63 -1.212 -12.748 5.952 1.00 0.00 C ATOM 1008 O ILE A 63 -0.944 -12.803 4.734 1.00 0.00 O ATOM 1009 CB ILE A 63 -2.140 -15.089 6.153 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -3.263 -15.955 6.757 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -0.769 -15.600 6.605 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -3.205 -17.417 6.382 1.00 0.00 C ATOM 0 H ILE A 63 -3.600 -12.801 5.114 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.301 -13.553 7.643 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.194 -15.162 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.224 -15.871 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.225 -15.551 6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.657 -16.645 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.014 -15.007 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.687 -15.512 7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.033 -17.946 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.278 -17.518 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.262 -17.843 6.723 1.00 0.00 H new ATOM 1024 N ASP A 64 -0.603 -11.956 6.782 1.00 0.00 N ATOM 1025 CA ASP A 64 0.448 -11.042 6.370 1.00 0.00 C ATOM 1026 C ASP A 64 1.796 -11.673 6.707 1.00 0.00 C ATOM 1027 O ASP A 64 2.141 -11.808 7.886 1.00 0.00 O ATOM 1028 CB ASP A 64 0.278 -9.738 7.147 1.00 0.00 C ATOM 1029 CG ASP A 64 0.963 -8.560 6.523 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.201 -8.464 6.566 1.00 0.00 O ATOM 1031 OD2 ASP A 64 0.250 -7.684 6.004 1.00 0.00 O ATOM 0 H ASP A 64 -0.816 -11.917 7.779 1.00 0.00 H new ATOM 0 HA ASP A 64 0.397 -10.842 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.786 -9.519 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.664 -9.876 8.157 1.00 0.00 H new ATOM 1036 N GLU A 65 2.540 -12.108 5.701 1.00 0.00 N ATOM 1037 CA GLU A 65 3.810 -12.770 5.954 1.00 0.00 C ATOM 1038 C GLU A 65 4.986 -11.829 6.124 1.00 0.00 C ATOM 1039 O GLU A 65 5.680 -11.874 7.159 1.00 0.00 O ATOM 1040 CB GLU A 65 4.098 -13.851 4.919 1.00 0.00 C ATOM 1041 CG GLU A 65 3.288 -15.121 5.131 1.00 0.00 C ATOM 1042 CD GLU A 65 3.558 -15.736 6.493 1.00 0.00 C ATOM 1043 OE1 GLU A 65 4.646 -16.320 6.698 1.00 0.00 O ATOM 1044 OE2 GLU A 65 2.708 -15.636 7.391 1.00 0.00 O ATOM 0 H GLU A 65 2.291 -12.017 4.716 1.00 0.00 H new ATOM 0 HA GLU A 65 3.690 -13.251 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.888 -13.457 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.160 -14.097 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.226 -14.895 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.531 -15.842 4.351 1.00 0.00 H new ATOM 1051 N GLU A 66 5.209 -10.994 5.143 1.00 0.00 N ATOM 1052 CA GLU A 66 6.323 -10.071 5.138 1.00 0.00 C ATOM 1053 C GLU A 66 6.144 -9.138 3.954 1.00 0.00 C ATOM 1054 O GLU A 66 5.317 -9.402 3.087 1.00 0.00 O ATOM 1055 CB GLU A 66 7.667 -10.865 5.035 1.00 0.00 C ATOM 1056 CG GLU A 66 8.952 -10.042 5.119 1.00 0.00 C ATOM 1057 CD GLU A 66 8.997 -9.165 6.334 1.00 0.00 C ATOM 1058 OE1 GLU A 66 8.418 -8.068 6.287 1.00 0.00 O ATOM 1059 OE2 GLU A 66 9.599 -9.564 7.351 1.00 0.00 O ATOM 0 H GLU A 66 4.618 -10.932 4.314 1.00 0.00 H new ATOM 0 HA GLU A 66 6.355 -9.490 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.686 -11.609 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.671 -11.409 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.810 -10.715 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.042 -9.424 4.226 1.00 0.00 H new ATOM 1066 N ARG A 67 6.903 -8.070 3.935 1.00 0.00 N ATOM 1067 CA ARG A 67 6.887 -7.071 2.870 1.00 0.00 C ATOM 1068 C ARG A 67 7.499 -7.726 1.624 1.00 0.00 C ATOM 1069 O ARG A 67 7.086 -7.496 0.488 1.00 0.00 O ATOM 1070 CB ARG A 67 7.776 -5.890 3.339 1.00 0.00 C ATOM 1071 CG ARG A 67 7.610 -4.518 2.643 1.00 0.00 C ATOM 1072 CD ARG A 67 7.886 -4.535 1.154 1.00 0.00 C ATOM 1073 NE ARG A 67 8.042 -3.180 0.595 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.048 -2.364 0.193 1.00 0.00 C ATOM 1075 NH1 ARG A 67 5.784 -2.619 0.495 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.336 -1.263 -0.457 1.00 0.00 N ATOM 0 H ARG A 67 7.571 -7.857 4.676 1.00 0.00 H new ATOM 0 HA ARG A 67 5.882 -6.714 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.599 -5.745 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.817 -6.194 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.593 -4.161 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.280 -3.801 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.791 -5.111 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.070 -5.044 0.642 1.00 0.00 H new ATOM 0 HE ARG A 67 8.994 -2.826 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.547 -3.447 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.047 -1.988 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.308 -1.028 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.588 -0.641 -0.764 1.00 0.00 H new ATOM 1090 N SER A 68 8.466 -8.557 1.875 1.00 0.00 N ATOM 1091 CA SER A 68 9.208 -9.241 0.859 1.00 0.00 C ATOM 1092 C SER A 68 8.661 -10.644 0.612 1.00 0.00 C ATOM 1093 O SER A 68 9.374 -11.574 0.212 1.00 0.00 O ATOM 1094 CB SER A 68 10.644 -9.272 1.292 1.00 0.00 C ATOM 1095 OG SER A 68 11.064 -7.953 1.621 1.00 0.00 O ATOM 0 H SER A 68 8.769 -8.784 2.822 1.00 0.00 H new ATOM 0 HA SER A 68 9.116 -8.715 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.762 -9.929 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.268 -9.676 0.495 1.00 0.00 H new ATOM 0 HG SER A 68 11.866 -7.727 1.106 1.00 0.00 H new ATOM 1101 N THR A 69 7.406 -10.768 0.796 1.00 0.00 N ATOM 1102 CA THR A 69 6.698 -12.002 0.609 1.00 0.00 C ATOM 1103 C THR A 69 5.292 -11.611 0.221 1.00 0.00 C ATOM 1104 O THR A 69 4.912 -10.469 0.435 1.00 0.00 O ATOM 1105 CB THR A 69 6.676 -12.816 1.940 1.00 0.00 C ATOM 1106 OG1 THR A 69 8.007 -12.916 2.452 1.00 0.00 O ATOM 1107 CG2 THR A 69 6.139 -14.229 1.739 1.00 0.00 C ATOM 0 H THR A 69 6.808 -9.996 1.091 1.00 0.00 H new ATOM 0 HA THR A 69 7.170 -12.626 -0.150 1.00 0.00 H new ATOM 0 HB THR A 69 6.020 -12.290 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.988 -13.355 3.328 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.142 -14.758 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.120 -14.180 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.770 -14.760 1.027 1.00 0.00 H new ATOM 1115 N VAL A 70 4.539 -12.502 -0.354 1.00 0.00 N ATOM 1116 CA VAL A 70 3.192 -12.177 -0.700 1.00 0.00 C ATOM 1117 C VAL A 70 2.322 -12.216 0.533 1.00 0.00 C ATOM 1118 O VAL A 70 2.160 -13.258 1.192 1.00 0.00 O ATOM 1119 CB VAL A 70 2.568 -13.059 -1.837 1.00 0.00 C ATOM 1120 CG1 VAL A 70 3.150 -12.714 -3.187 1.00 0.00 C ATOM 1121 CG2 VAL A 70 2.745 -14.539 -1.564 1.00 0.00 C ATOM 0 H VAL A 70 4.833 -13.450 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 70 3.230 -11.169 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 70 1.501 -12.839 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.695 -13.344 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.949 -11.667 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.227 -12.882 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.299 -15.114 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.808 -14.772 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.256 -14.797 -0.625 1.00 0.00 H new ATOM 1131 N MET A 71 1.864 -11.079 0.894 1.00 0.00 N ATOM 1132 CA MET A 71 0.968 -10.934 1.993 1.00 0.00 C ATOM 1133 C MET A 71 -0.426 -11.038 1.428 1.00 0.00 C ATOM 1134 O MET A 71 -0.763 -10.322 0.499 1.00 0.00 O ATOM 1135 CB MET A 71 1.185 -9.574 2.699 1.00 0.00 C ATOM 1136 CG MET A 71 1.063 -8.356 1.778 1.00 0.00 C ATOM 1137 SD MET A 71 1.308 -6.781 2.606 1.00 0.00 S ATOM 1138 CE MET A 71 2.971 -6.987 3.243 1.00 0.00 C ATOM 0 H MET A 71 2.101 -10.202 0.431 1.00 0.00 H new ATOM 0 HA MET A 71 1.138 -11.705 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.459 -9.478 3.506 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.174 -9.570 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.792 -8.448 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.076 -8.361 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.381 -6.013 3.513 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.946 -7.627 4.125 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.599 -7.446 2.479 1.00 0.00 H new ATOM 1148 N ILE A 72 -1.213 -11.954 1.912 1.00 0.00 N ATOM 1149 CA ILE A 72 -2.548 -12.091 1.385 1.00 0.00 C ATOM 1150 C ILE A 72 -3.540 -11.701 2.447 1.00 0.00 C ATOM 1151 O ILE A 72 -3.930 -12.534 3.291 1.00 0.00 O ATOM 1152 CB ILE A 72 -2.920 -13.519 0.825 1.00 0.00 C ATOM 1153 CG1 ILE A 72 -1.951 -14.007 -0.266 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -4.342 -13.517 0.256 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -0.615 -14.505 0.237 1.00 0.00 C ATOM 0 H ILE A 72 -0.965 -12.607 2.655 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.585 -11.427 0.521 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.847 -14.204 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.433 -14.809 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.776 -13.190 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.582 -14.509 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.048 -13.250 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.409 -12.791 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.005 -14.826 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.104 -13.702 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.771 -15.346 0.912 1.00 0.00 H new ATOM 1167 N PRO A 73 -3.894 -10.429 2.508 1.00 0.00 N ATOM 1168 CA PRO A 73 -4.866 -9.966 3.430 1.00 0.00 C ATOM 1169 C PRO A 73 -6.255 -10.149 2.855 1.00 0.00 C ATOM 1170 O PRO A 73 -6.437 -10.250 1.632 1.00 0.00 O ATOM 1171 CB PRO A 73 -4.546 -8.462 3.591 1.00 0.00 C ATOM 1172 CG PRO A 73 -3.346 -8.217 2.728 1.00 0.00 C ATOM 1173 CD PRO A 73 -3.354 -9.319 1.721 1.00 0.00 C ATOM 0 HA PRO A 73 -4.841 -10.504 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.388 -7.845 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.339 -8.213 4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.402 -7.242 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.429 -8.229 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.980 -9.084 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.356 -9.534 1.340 1.00 0.00 H new ATOM 1181 N TYR A 74 -7.198 -10.232 3.702 1.00 0.00 N ATOM 1182 CA TYR A 74 -8.550 -10.340 3.311 1.00 0.00 C ATOM 1183 C TYR A 74 -9.244 -9.223 4.009 1.00 0.00 C ATOM 1184 O TYR A 74 -9.846 -9.393 5.066 1.00 0.00 O ATOM 1185 CB TYR A 74 -9.147 -11.692 3.693 1.00 0.00 C ATOM 1186 CG TYR A 74 -10.517 -11.944 3.104 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -10.647 -12.423 1.815 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -11.674 -11.700 3.832 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -11.882 -12.655 1.261 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -12.916 -11.930 3.286 1.00 0.00 C ATOM 1191 CZ TYR A 74 -13.012 -12.409 2.000 1.00 0.00 C ATOM 1192 OH TYR A 74 -14.251 -12.640 1.446 1.00 0.00 O ATOM 0 H TYR A 74 -7.054 -10.227 4.712 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.659 -10.276 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.471 -12.482 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.212 -11.756 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.760 -12.619 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.598 -11.324 4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.963 -13.028 0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.808 -11.736 3.863 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.948 -12.417 2.098 1.00 0.00 H new ATOM 1202 N THR A 75 -9.049 -8.066 3.504 1.00 0.00 N ATOM 1203 CA THR A 75 -9.603 -6.933 4.113 1.00 0.00 C ATOM 1204 C THR A 75 -10.757 -6.419 3.310 1.00 0.00 C ATOM 1205 O THR A 75 -10.686 -6.357 2.089 1.00 0.00 O ATOM 1206 CB THR A 75 -8.548 -5.820 4.315 1.00 0.00 C ATOM 1207 OG1 THR A 75 -7.915 -5.497 3.060 1.00 0.00 O ATOM 1208 CG2 THR A 75 -7.477 -6.253 5.308 1.00 0.00 C ATOM 0 H THR A 75 -8.503 -7.883 2.662 1.00 0.00 H new ATOM 0 HA THR A 75 -9.962 -7.231 5.098 1.00 0.00 H new ATOM 0 HB THR A 75 -9.065 -4.944 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.251 -4.790 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.749 -5.451 5.430 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.940 -6.473 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.975 -7.146 4.935 1.00 0.00 H new ATOM 1216 N LYS A 76 -11.826 -6.103 3.964 1.00 0.00 N ATOM 1217 CA LYS A 76 -12.956 -5.544 3.277 1.00 0.00 C ATOM 1218 C LYS A 76 -13.130 -4.083 3.670 1.00 0.00 C ATOM 1219 O LYS A 76 -13.755 -3.785 4.690 1.00 0.00 O ATOM 1220 CB LYS A 76 -14.235 -6.344 3.541 1.00 0.00 C ATOM 1221 CG LYS A 76 -14.178 -7.791 3.058 1.00 0.00 C ATOM 1222 CD LYS A 76 -15.487 -8.530 3.323 1.00 0.00 C ATOM 1223 CE LYS A 76 -16.664 -7.938 2.536 1.00 0.00 C ATOM 1224 NZ LYS A 76 -16.478 -8.034 1.071 1.00 0.00 N ATOM 0 H LYS A 76 -11.946 -6.220 4.970 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.765 -5.600 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.440 -6.338 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.071 -5.843 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.960 -7.809 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.360 -8.309 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.368 -9.580 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.712 -8.494 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.581 -8.457 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.792 -6.892 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.354 -7.746 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.701 -7.408 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.248 -9.015 0.814 1.00 0.00 H new ATOM 1238 N PRO A 77 -12.472 -3.157 2.945 1.00 0.00 N ATOM 1239 CA PRO A 77 -12.585 -1.743 3.169 1.00 0.00 C ATOM 1240 C PRO A 77 -13.482 -1.121 2.103 1.00 0.00 C ATOM 1241 O PRO A 77 -14.248 -1.819 1.443 1.00 0.00 O ATOM 1242 CB PRO A 77 -11.132 -1.275 2.961 1.00 0.00 C ATOM 1243 CG PRO A 77 -10.498 -2.317 2.072 1.00 0.00 C ATOM 1244 CD PRO A 77 -11.523 -3.408 1.861 1.00 0.00 C ATOM 0 HA PRO A 77 -13.009 -1.476 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.099 -0.290 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.605 -1.196 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.200 -1.880 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.597 -2.720 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.996 -3.338 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.080 -4.401 1.930 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.362 0.162 1.901 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.154 0.819 0.891 1.00 0.00 C ATOM 1254 C CYS A 78 -13.346 0.901 -0.415 1.00 0.00 C ATOM 1255 O CYS A 78 -13.781 1.476 -1.396 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.566 2.217 1.379 1.00 0.00 C ATOM 1257 SG CYS A 78 -15.912 2.994 0.457 1.00 0.00 S ATOM 0 H CYS A 78 -12.729 0.773 2.417 1.00 0.00 H new ATOM 0 HA CYS A 78 -15.063 0.248 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -14.859 2.146 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -13.694 2.870 1.336 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.167 4.163 0.964 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.173 0.287 -0.420 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.312 0.328 -1.583 1.00 0.00 C ATOM 1265 C TYR A 79 -11.040 -1.095 -2.090 1.00 0.00 C ATOM 1266 O TYR A 79 -11.760 -1.600 -2.950 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.998 1.072 -1.252 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.123 1.400 -2.450 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.284 2.597 -3.119 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.131 0.525 -2.898 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -8.495 2.923 -4.193 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.332 0.848 -3.979 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.524 2.057 -4.622 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.749 2.401 -5.707 1.00 0.00 O ATOM 0 H TYR A 79 -11.800 -0.243 0.367 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.813 0.878 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.244 2.000 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.420 0.464 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.045 3.289 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.986 -0.418 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.640 3.865 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.567 0.164 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.588 1.607 -6.259 1.00 0.00 H new ATOM 1284 N GLY A 80 -10.059 -1.750 -1.505 1.00 0.00 N ATOM 1285 CA GLY A 80 -9.693 -3.079 -1.903 1.00 0.00 C ATOM 1286 C GLY A 80 -8.539 -3.556 -1.071 1.00 0.00 C ATOM 1287 O GLY A 80 -8.193 -2.908 -0.083 1.00 0.00 O ATOM 0 H GLY A 80 -9.498 -1.371 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.542 -3.752 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.422 -3.091 -2.959 1.00 0.00 H new ATOM 1291 N THR A 81 -7.944 -4.647 -1.452 1.00 0.00 N ATOM 1292 CA THR A 81 -6.858 -5.222 -0.721 1.00 0.00 C ATOM 1293 C THR A 81 -5.586 -5.222 -1.580 1.00 0.00 C ATOM 1294 O THR A 81 -5.637 -5.394 -2.808 1.00 0.00 O ATOM 1295 CB THR A 81 -7.214 -6.641 -0.257 1.00 0.00 C ATOM 1296 OG1 THR A 81 -8.467 -6.619 0.433 1.00 0.00 O ATOM 1297 CG2 THR A 81 -6.169 -7.179 0.681 1.00 0.00 C ATOM 0 H THR A 81 -8.203 -5.168 -2.290 1.00 0.00 H new ATOM 0 HA THR A 81 -6.670 -4.618 0.167 1.00 0.00 H new ATOM 0 HB THR A 81 -7.270 -7.280 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.339 -6.249 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.445 -8.186 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.205 -7.209 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.098 -6.533 1.556 1.00 0.00 H new ATOM 1305 N ALA A 82 -4.465 -5.081 -0.929 1.00 0.00 N ATOM 1306 CA ALA A 82 -3.205 -4.975 -1.588 1.00 0.00 C ATOM 1307 C ALA A 82 -2.234 -6.071 -1.200 1.00 0.00 C ATOM 1308 O ALA A 82 -1.922 -6.244 -0.033 1.00 0.00 O ATOM 1309 CB ALA A 82 -2.586 -3.643 -1.215 1.00 0.00 C ATOM 0 H ALA A 82 -4.406 -5.037 0.088 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.389 -5.065 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.620 -3.540 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.244 -2.834 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.449 -3.595 -0.135 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.788 -6.813 -2.177 1.00 0.00 N ATOM 1316 CA VAL A 83 -0.780 -7.816 -1.974 1.00 0.00 C ATOM 1317 C VAL A 83 0.509 -7.225 -2.540 1.00 0.00 C ATOM 1318 O VAL A 83 0.639 -7.042 -3.757 1.00 0.00 O ATOM 1319 CB VAL A 83 -1.116 -9.149 -2.715 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -0.022 -10.190 -2.505 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.455 -9.699 -2.255 1.00 0.00 C ATOM 0 H VAL A 83 -2.115 -6.738 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.702 -8.065 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.176 -8.926 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.285 -11.106 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.923 -9.808 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.080 -10.401 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.668 -10.628 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.420 -9.892 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.239 -8.972 -2.467 1.00 0.00 H new ATOM 1331 N VAL A 84 1.389 -6.805 -1.684 1.00 0.00 N ATOM 1332 CA VAL A 84 2.644 -6.248 -2.122 1.00 0.00 C ATOM 1333 C VAL A 84 3.736 -7.321 -1.912 1.00 0.00 C ATOM 1334 O VAL A 84 3.716 -8.017 -0.896 1.00 0.00 O ATOM 1335 CB VAL A 84 3.000 -4.920 -1.328 1.00 0.00 C ATOM 1336 CG1 VAL A 84 1.855 -3.925 -1.393 1.00 0.00 C ATOM 1337 CG2 VAL A 84 3.397 -5.175 0.119 1.00 0.00 C ATOM 0 H VAL A 84 1.266 -6.835 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 84 2.577 -5.974 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 84 3.873 -4.496 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.124 -3.024 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.655 -3.668 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.962 -4.368 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.628 -4.227 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.573 -5.660 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.275 -5.820 0.147 1.00 0.00 H new ATOM 1347 N GLU A 85 4.591 -7.542 -2.894 1.00 0.00 N ATOM 1348 CA GLU A 85 5.687 -8.496 -2.736 1.00 0.00 C ATOM 1349 C GLU A 85 6.981 -7.872 -3.219 1.00 0.00 C ATOM 1350 O GLU A 85 7.133 -7.540 -4.401 1.00 0.00 O ATOM 1351 CB GLU A 85 5.456 -9.819 -3.483 1.00 0.00 C ATOM 1352 CG GLU A 85 6.597 -10.817 -3.254 1.00 0.00 C ATOM 1353 CD GLU A 85 6.545 -12.038 -4.136 1.00 0.00 C ATOM 1354 OE1 GLU A 85 6.827 -11.924 -5.340 1.00 0.00 O ATOM 1355 OE2 GLU A 85 6.272 -13.152 -3.640 1.00 0.00 O ATOM 0 H GLU A 85 4.554 -7.082 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 85 5.741 -8.733 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.516 -10.262 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.358 -9.620 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.547 -10.307 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.580 -11.136 -2.212 1.00 0.00 H new ATOM 1362 N LEU A 86 7.889 -7.684 -2.326 1.00 0.00 N ATOM 1363 CA LEU A 86 9.154 -7.100 -2.656 1.00 0.00 C ATOM 1364 C LEU A 86 10.205 -8.209 -2.815 1.00 0.00 C ATOM 1365 O LEU A 86 10.273 -9.107 -1.995 1.00 0.00 O ATOM 1366 CB LEU A 86 9.561 -6.158 -1.537 1.00 0.00 C ATOM 1367 CG LEU A 86 10.783 -5.298 -1.783 1.00 0.00 C ATOM 1368 CD1 LEU A 86 10.491 -4.187 -2.772 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.330 -4.766 -0.483 1.00 0.00 C ATOM 0 H LEU A 86 7.781 -7.930 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 86 9.079 -6.548 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.719 -5.500 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.737 -6.751 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 86 11.553 -5.924 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.390 -3.590 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.177 -4.619 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.696 -3.552 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.208 -4.151 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.569 -4.163 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.610 -5.599 0.162 1.00 0.00 H new ATOM 1381 N PRO A 87 11.018 -8.188 -3.886 1.00 0.00 N ATOM 1382 CA PRO A 87 12.081 -9.189 -4.088 1.00 0.00 C ATOM 1383 C PRO A 87 13.360 -8.827 -3.319 1.00 0.00 C ATOM 1384 O PRO A 87 14.337 -9.575 -3.310 1.00 0.00 O ATOM 1385 CB PRO A 87 12.324 -9.121 -5.588 1.00 0.00 C ATOM 1386 CG PRO A 87 12.044 -7.706 -5.945 1.00 0.00 C ATOM 1387 CD PRO A 87 10.946 -7.242 -5.015 1.00 0.00 C ATOM 0 HA PRO A 87 11.801 -10.179 -3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.348 -9.398 -5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.668 -9.804 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.937 -7.092 -5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.733 -7.622 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.107 -6.215 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.971 -7.272 -5.501 1.00 0.00 H new ATOM 1395 N VAL A 88 13.328 -7.687 -2.684 1.00 0.00 N ATOM 1396 CA VAL A 88 14.440 -7.179 -1.908 1.00 0.00 C ATOM 1397 C VAL A 88 14.179 -7.573 -0.455 1.00 0.00 C ATOM 1398 O VAL A 88 13.058 -7.928 -0.121 1.00 0.00 O ATOM 1399 CB VAL A 88 14.540 -5.619 -2.029 1.00 0.00 C ATOM 1400 CG1 VAL A 88 15.828 -5.072 -1.421 1.00 0.00 C ATOM 1401 CG2 VAL A 88 14.395 -5.163 -3.475 1.00 0.00 C ATOM 0 H VAL A 88 12.516 -7.070 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 88 15.380 -7.594 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 88 13.709 -5.210 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.850 -3.988 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.870 -5.331 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.686 -5.506 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.469 -4.077 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.187 -5.608 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.425 -5.478 -3.860 1.00 0.00 H new ATOM 1411 N ASP A 89 15.182 -7.502 0.378 1.00 0.00 N ATOM 1412 CA ASP A 89 15.086 -7.894 1.777 1.00 0.00 C ATOM 1413 C ASP A 89 14.185 -6.916 2.558 1.00 0.00 C ATOM 1414 O ASP A 89 14.131 -5.720 2.222 1.00 0.00 O ATOM 1415 CB ASP A 89 16.503 -7.915 2.364 1.00 0.00 C ATOM 1416 CG ASP A 89 16.600 -8.434 3.781 1.00 0.00 C ATOM 1417 OD1 ASP A 89 16.292 -7.691 4.745 1.00 0.00 O ATOM 1418 OD2 ASP A 89 17.013 -9.601 3.962 1.00 0.00 O ATOM 0 H ASP A 89 16.107 -7.166 0.109 1.00 0.00 H new ATOM 0 HA ASP A 89 14.635 -8.883 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.136 -8.529 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 89 16.907 -6.903 2.335 1.00 0.00 H new ATOM 1423 N PRO A 90 13.438 -7.415 3.586 1.00 0.00 N ATOM 1424 CA PRO A 90 12.562 -6.593 4.452 1.00 0.00 C ATOM 1425 C PRO A 90 13.255 -5.373 5.102 1.00 0.00 C ATOM 1426 O PRO A 90 12.576 -4.504 5.654 1.00 0.00 O ATOM 1427 CB PRO A 90 12.078 -7.566 5.538 1.00 0.00 C ATOM 1428 CG PRO A 90 12.899 -8.797 5.373 1.00 0.00 C ATOM 1429 CD PRO A 90 13.319 -8.840 3.941 1.00 0.00 C ATOM 0 HA PRO A 90 11.764 -6.153 3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.209 -7.139 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.017 -7.785 5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.768 -8.775 6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.323 -9.685 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 90 14.264 -9.368 3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.583 -9.350 3.320 1.00 0.00 H new ATOM 1437 N GLU A 91 14.600 -5.299 5.014 1.00 0.00 N ATOM 1438 CA GLU A 91 15.383 -4.163 5.532 1.00 0.00 C ATOM 1439 C GLU A 91 14.893 -2.845 4.929 1.00 0.00 C ATOM 1440 O GLU A 91 15.094 -1.771 5.505 1.00 0.00 O ATOM 1441 CB GLU A 91 16.875 -4.349 5.242 1.00 0.00 C ATOM 1442 CG GLU A 91 17.188 -4.559 3.771 1.00 0.00 C ATOM 1443 CD GLU A 91 18.656 -4.739 3.499 1.00 0.00 C ATOM 1444 OE1 GLU A 91 19.259 -5.698 4.004 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.249 -3.912 2.769 1.00 0.00 O ATOM 0 H GLU A 91 15.171 -6.026 4.582 1.00 0.00 H new ATOM 0 HA GLU A 91 15.241 -4.127 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.418 -3.474 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.243 -5.205 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.648 -5.436 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.822 -3.704 3.202 1.00 0.00 H new ATOM 1452 N GLU A 92 14.241 -2.939 3.769 1.00 0.00 N ATOM 1453 CA GLU A 92 13.662 -1.790 3.101 1.00 0.00 C ATOM 1454 C GLU A 92 12.636 -1.084 3.975 1.00 0.00 C ATOM 1455 O GLU A 92 12.392 0.083 3.784 1.00 0.00 O ATOM 1456 CB GLU A 92 13.037 -2.178 1.770 1.00 0.00 C ATOM 1457 CG GLU A 92 14.037 -2.426 0.663 1.00 0.00 C ATOM 1458 CD GLU A 92 14.792 -1.176 0.293 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.201 -0.284 -0.380 1.00 0.00 O ATOM 1460 OE2 GLU A 92 15.986 -1.056 0.647 1.00 0.00 O ATOM 0 H GLU A 92 14.104 -3.819 3.272 1.00 0.00 H new ATOM 0 HA GLU A 92 14.479 -1.094 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.438 -3.078 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.355 -1.387 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.742 -3.196 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.518 -2.809 -0.215 1.00 0.00 H new ATOM 1467 N ILE A 93 12.056 -1.791 4.945 1.00 0.00 N ATOM 1468 CA ILE A 93 11.091 -1.183 5.867 1.00 0.00 C ATOM 1469 C ILE A 93 11.764 -0.086 6.689 1.00 0.00 C ATOM 1470 O ILE A 93 11.218 1.002 6.840 1.00 0.00 O ATOM 1471 CB ILE A 93 10.418 -2.233 6.807 1.00 0.00 C ATOM 1472 CG1 ILE A 93 9.481 -3.162 6.017 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.661 -1.567 7.965 1.00 0.00 C ATOM 1474 CD1 ILE A 93 8.279 -2.452 5.407 1.00 0.00 C ATOM 0 H ILE A 93 12.235 -2.781 5.114 1.00 0.00 H new ATOM 0 HA ILE A 93 10.298 -0.746 5.260 1.00 0.00 H new ATOM 0 HB ILE A 93 11.220 -2.832 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.049 -3.643 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.127 -3.953 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.209 -2.334 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.355 -0.974 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.881 -0.919 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 93 7.666 -3.173 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.686 -1.994 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.623 -1.680 4.719 1.00 0.00 H new ATOM 1486 N GLU A 94 12.983 -0.350 7.145 1.00 0.00 N ATOM 1487 CA GLU A 94 13.720 0.625 7.941 1.00 0.00 C ATOM 1488 C GLU A 94 14.024 1.838 7.088 1.00 0.00 C ATOM 1489 O GLU A 94 13.944 2.983 7.544 1.00 0.00 O ATOM 1490 CB GLU A 94 14.998 0.023 8.510 1.00 0.00 C ATOM 1491 CG GLU A 94 14.760 -1.237 9.322 1.00 0.00 C ATOM 1492 CD GLU A 94 13.669 -1.066 10.359 1.00 0.00 C ATOM 1493 OE1 GLU A 94 13.809 -0.216 11.266 1.00 0.00 O ATOM 1494 OE2 GLU A 94 12.668 -1.806 10.311 1.00 0.00 O ATOM 0 H GLU A 94 13.480 -1.225 6.979 1.00 0.00 H new ATOM 0 HA GLU A 94 13.104 0.927 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.680 -0.205 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.492 0.764 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.492 -2.052 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.686 -1.525 9.819 1.00 0.00 H new ATOM 1501 N ARG A 95 14.325 1.573 5.824 1.00 0.00 N ATOM 1502 CA ARG A 95 14.569 2.621 4.866 1.00 0.00 C ATOM 1503 C ARG A 95 13.285 3.411 4.697 1.00 0.00 C ATOM 1504 O ARG A 95 13.262 4.599 4.864 1.00 0.00 O ATOM 1505 CB ARG A 95 14.977 2.033 3.511 1.00 0.00 C ATOM 1506 CG ARG A 95 15.101 3.076 2.420 1.00 0.00 C ATOM 1507 CD ARG A 95 15.361 2.466 1.068 1.00 0.00 C ATOM 1508 NE ARG A 95 15.359 3.486 0.010 1.00 0.00 N ATOM 1509 CZ ARG A 95 14.893 3.297 -1.224 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.474 2.105 -1.596 1.00 0.00 N ATOM 1511 NH2 ARG A 95 14.872 4.302 -2.095 1.00 0.00 N ATOM 0 H ARG A 95 14.404 0.630 5.444 1.00 0.00 H new ATOM 0 HA ARG A 95 15.378 3.258 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.930 1.515 3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.241 1.287 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.185 3.666 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.911 3.762 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.322 1.952 1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.600 1.716 0.853 1.00 0.00 H new ATOM 0 HE ARG A 95 15.742 4.404 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.506 1.325 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.118 1.962 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.214 5.223 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.514 4.152 -3.038 1.00 0.00 H new ATOM 1525 N ILE A 96 12.221 2.693 4.448 1.00 0.00 N ATOM 1526 CA ILE A 96 10.888 3.210 4.205 1.00 0.00 C ATOM 1527 C ILE A 96 10.357 4.048 5.355 1.00 0.00 C ATOM 1528 O ILE A 96 9.596 4.952 5.138 1.00 0.00 O ATOM 1529 CB ILE A 96 9.945 2.026 3.861 1.00 0.00 C ATOM 1530 CG1 ILE A 96 9.901 1.759 2.351 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.544 2.083 4.508 1.00 0.00 C ATOM 1532 CD1 ILE A 96 9.056 0.569 1.966 1.00 0.00 C ATOM 0 H ILE A 96 12.257 1.675 4.406 1.00 0.00 H new ATOM 0 HA ILE A 96 10.934 3.894 3.358 1.00 0.00 H new ATOM 0 HB ILE A 96 10.401 1.158 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.516 2.645 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.917 1.603 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.967 1.210 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.644 2.091 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.031 2.989 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.074 0.445 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.453 -0.328 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.029 0.730 2.295 1.00 0.00 H new ATOM 1544 N LEU A 97 10.778 3.757 6.555 1.00 0.00 N ATOM 1545 CA LEU A 97 10.328 4.517 7.707 1.00 0.00 C ATOM 1546 C LEU A 97 10.894 5.957 7.667 1.00 0.00 C ATOM 1547 O LEU A 97 10.206 6.928 8.014 1.00 0.00 O ATOM 1548 CB LEU A 97 10.708 3.790 9.002 1.00 0.00 C ATOM 1549 CG LEU A 97 10.166 4.380 10.310 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.640 4.416 10.301 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.663 3.567 11.487 1.00 0.00 C ATOM 0 H LEU A 97 11.430 3.003 6.769 1.00 0.00 H new ATOM 0 HA LEU A 97 9.241 4.596 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.364 2.758 8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.796 3.759 9.068 1.00 0.00 H new ATOM 0 HG LEU A 97 10.529 5.404 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.280 4.838 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.295 5.032 9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.253 3.403 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.274 3.992 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.320 2.537 11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.753 3.586 11.508 1.00 0.00 H new ATOM 1563 N GLU A 98 12.123 6.085 7.199 1.00 0.00 N ATOM 1564 CA GLU A 98 12.783 7.386 7.073 1.00 0.00 C ATOM 1565 C GLU A 98 12.441 8.017 5.710 1.00 0.00 C ATOM 1566 O GLU A 98 12.041 9.181 5.605 1.00 0.00 O ATOM 1567 CB GLU A 98 14.303 7.180 7.181 1.00 0.00 C ATOM 1568 CG GLU A 98 15.144 8.449 7.071 1.00 0.00 C ATOM 1569 CD GLU A 98 14.853 9.448 8.160 1.00 0.00 C ATOM 1570 OE1 GLU A 98 15.415 9.321 9.263 1.00 0.00 O ATOM 1571 OE2 GLU A 98 14.068 10.388 7.928 1.00 0.00 O ATOM 0 H GLU A 98 12.695 5.297 6.895 1.00 0.00 H new ATOM 0 HA GLU A 98 12.440 8.052 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.521 6.701 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.616 6.488 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.200 8.182 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.964 8.914 6.102 1.00 0.00 H new ATOM 1578 N VAL A 99 12.525 7.194 4.703 1.00 0.00 N ATOM 1579 CA VAL A 99 12.320 7.539 3.300 1.00 0.00 C ATOM 1580 C VAL A 99 10.804 7.569 2.946 1.00 0.00 C ATOM 1581 O VAL A 99 10.413 7.651 1.790 1.00 0.00 O ATOM 1582 CB VAL A 99 13.131 6.496 2.426 1.00 0.00 C ATOM 1583 CG1 VAL A 99 13.015 6.730 0.926 1.00 0.00 C ATOM 1584 CG2 VAL A 99 14.603 6.553 2.816 1.00 0.00 C ATOM 0 H VAL A 99 12.750 6.208 4.832 1.00 0.00 H new ATOM 0 HA VAL A 99 12.688 8.543 3.091 1.00 0.00 H new ATOM 0 HB VAL A 99 12.696 5.518 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.597 5.977 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.969 6.659 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.396 7.722 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.166 5.837 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.988 7.557 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.709 6.306 3.872 1.00 0.00 H new ATOM 1594 N ALA A 100 9.979 7.571 3.976 1.00 0.00 N ATOM 1595 CA ALA A 100 8.530 7.583 3.862 1.00 0.00 C ATOM 1596 C ALA A 100 8.018 8.833 3.214 1.00 0.00 C ATOM 1597 O ALA A 100 7.061 8.805 2.447 1.00 0.00 O ATOM 1598 CB ALA A 100 7.880 7.435 5.228 1.00 0.00 C ATOM 0 H ALA A 100 10.306 7.564 4.942 1.00 0.00 H new ATOM 0 HA ALA A 100 8.266 6.736 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.796 7.447 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.189 6.491 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.189 8.261 5.869 1.00 0.00 H new ATOM 1604 N GLU A 101 8.663 9.909 3.506 1.00 0.00 N ATOM 1605 CA GLU A 101 8.241 11.162 3.011 1.00 0.00 C ATOM 1606 C GLU A 101 8.885 11.450 1.637 1.00 0.00 C ATOM 1607 O GLU A 101 8.167 11.771 0.684 1.00 0.00 O ATOM 1608 CB GLU A 101 8.498 12.274 4.044 1.00 0.00 C ATOM 1609 CG GLU A 101 7.979 11.955 5.451 1.00 0.00 C ATOM 1610 CD GLU A 101 8.371 13.003 6.469 1.00 0.00 C ATOM 1611 OE1 GLU A 101 9.543 13.035 6.873 1.00 0.00 O ATOM 1612 OE2 GLU A 101 7.516 13.821 6.896 1.00 0.00 O ATOM 0 H GLU A 101 9.496 9.940 4.094 1.00 0.00 H new ATOM 0 HA GLU A 101 7.163 11.136 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.570 12.464 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.029 13.194 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.893 11.870 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.366 10.986 5.766 1.00 0.00 H new ATOM 1619 N PRO A 102 10.239 11.359 1.485 1.00 0.00 N ATOM 1620 CA PRO A 102 10.876 11.575 0.228 1.00 0.00 C ATOM 1621 C PRO A 102 11.382 10.253 -0.413 1.00 0.00 C ATOM 1622 O PRO A 102 10.583 9.533 -1.057 1.00 0.00 O ATOM 1623 CB PRO A 102 12.048 12.476 0.637 1.00 0.00 C ATOM 1624 CG PRO A 102 12.248 12.218 2.119 1.00 0.00 C ATOM 1625 CD PRO A 102 11.262 11.145 2.491 1.00 0.00 C ATOM 1626 OXT PRO A 102 12.589 9.945 -0.303 1.00 0.00 O ATOM 0 HA PRO A 102 10.216 12.001 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.947 12.234 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.823 13.525 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.269 11.897 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.075 13.124 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.696 10.147 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.879 11.269 3.504 1.00 0.00 H new TER 1634 PRO A 102