USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 103:sc= 0.969 USER MOD Set 1.2: A 115 THR OG1 : rot -150:sc= 0.879 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.0256 (180deg=-0.266) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 17 MET CE :methyl -148:sc= -0.74 (180deg=-2.98!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.5!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -1.45 (180deg=-2.03) USER MOD Single : A 47 GLN :FLIP amide:sc= 1.23 F(o=-2!,f=1.2) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 56 SER OG : rot 180:sc= -0.131 USER MOD Single : A 59 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.5!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.082) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0528 (180deg=-0.473) USER MOD Single : A 71 THR OG1 : rot 94:sc= 0.177 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 85 MET CE :methyl 163:sc= -0.635 (180deg=-1.65) USER MOD Single : A 87 THR OG1 : rot -140:sc= -0.228 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0157) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0969 F(o=-0.82,f=-0.097) USER MOD Single : A 100 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.24) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -120:sc= -6.1! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.097 0.172 8.768 1.00 0.00 N ATOM 2 CA ALA A 2 -12.953 0.917 9.364 1.00 0.00 C ATOM 3 C ALA A 2 -13.187 2.422 9.204 1.00 0.00 C ATOM 4 O ALA A 2 -13.124 3.175 10.157 1.00 0.00 O ATOM 5 CB ALA A 2 -11.658 0.517 8.650 1.00 0.00 C ATOM 0 HA ALA A 2 -12.871 0.675 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.820 1.061 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.494 -0.554 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.737 0.759 7.590 1.00 0.00 H new ATOM 11 N ASP A 3 -13.458 2.867 8.007 1.00 0.00 N ATOM 12 CA ASP A 3 -13.699 4.323 7.778 1.00 0.00 C ATOM 13 C ASP A 3 -14.061 4.543 6.308 1.00 0.00 C ATOM 14 O ASP A 3 -13.648 3.800 5.450 1.00 0.00 O ATOM 15 CB ASP A 3 -12.432 5.117 8.113 1.00 0.00 C ATOM 16 CG ASP A 3 -12.789 6.279 9.041 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.073 6.021 10.199 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.773 7.408 8.577 1.00 0.00 O ATOM 0 H ASP A 3 -13.523 2.283 7.173 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.514 4.662 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.699 4.468 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.974 5.495 7.199 1.00 0.00 H new ATOM 23 N LYS A 4 -14.838 5.546 6.007 1.00 0.00 N ATOM 24 CA LYS A 4 -15.208 5.790 4.582 1.00 0.00 C ATOM 25 C LYS A 4 -14.196 6.733 3.918 1.00 0.00 C ATOM 26 O LYS A 4 -14.485 7.321 2.896 1.00 0.00 O ATOM 27 CB LYS A 4 -16.598 6.424 4.496 1.00 0.00 C ATOM 28 CG LYS A 4 -17.677 5.401 4.879 1.00 0.00 C ATOM 29 CD LYS A 4 -19.043 5.882 4.380 1.00 0.00 C ATOM 30 CE LYS A 4 -20.083 4.780 4.593 1.00 0.00 C ATOM 31 NZ LYS A 4 -21.234 5.323 5.368 1.00 0.00 N ATOM 0 H LYS A 4 -15.231 6.204 6.680 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.207 4.830 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.653 7.286 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.776 6.789 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.442 4.429 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.700 5.269 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.340 6.785 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.985 6.142 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.426 4.399 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.635 3.942 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.940 4.573 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.900 5.666 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.666 6.109 4.842 1.00 0.00 H new ATOM 45 N GLU A 5 -13.028 6.910 4.478 1.00 0.00 N ATOM 46 CA GLU A 5 -12.060 7.847 3.831 1.00 0.00 C ATOM 47 C GLU A 5 -10.645 7.656 4.389 1.00 0.00 C ATOM 48 O GLU A 5 -9.940 8.613 4.641 1.00 0.00 O ATOM 49 CB GLU A 5 -12.510 9.287 4.082 1.00 0.00 C ATOM 50 CG GLU A 5 -12.588 9.545 5.589 1.00 0.00 C ATOM 51 CD GLU A 5 -13.336 10.854 5.845 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.327 11.089 5.173 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.907 11.600 6.710 1.00 0.00 O ATOM 0 H GLU A 5 -12.707 6.459 5.335 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.039 7.636 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.810 9.983 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.483 9.460 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.099 8.719 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.585 9.598 6.012 1.00 0.00 H new ATOM 60 N LEU A 6 -10.210 6.440 4.566 1.00 0.00 N ATOM 61 CA LEU A 6 -8.838 6.216 5.082 1.00 0.00 C ATOM 62 C LEU A 6 -7.839 6.689 4.022 1.00 0.00 C ATOM 63 O LEU A 6 -7.726 6.113 2.971 1.00 0.00 O ATOM 64 CB LEU A 6 -8.656 4.725 5.353 1.00 0.00 C ATOM 65 CG LEU A 6 -7.255 4.448 5.900 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.052 5.183 7.221 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.106 2.950 6.129 1.00 0.00 C ATOM 0 H LEU A 6 -10.747 5.594 4.375 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.673 6.770 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.406 4.385 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.812 4.160 4.434 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.511 4.797 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.051 4.978 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.168 6.255 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.792 4.841 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.110 2.739 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.855 2.615 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.245 2.422 5.186 1.00 0.00 H new ATOM 79 N LYS A 7 -7.132 7.751 4.280 1.00 0.00 N ATOM 80 CA LYS A 7 -6.166 8.277 3.271 1.00 0.00 C ATOM 81 C LYS A 7 -5.315 7.151 2.661 1.00 0.00 C ATOM 82 O LYS A 7 -4.459 6.580 3.318 1.00 0.00 O ATOM 83 CB LYS A 7 -5.249 9.296 3.946 1.00 0.00 C ATOM 84 CG LYS A 7 -5.854 10.697 3.817 1.00 0.00 C ATOM 85 CD LYS A 7 -4.949 11.711 4.522 1.00 0.00 C ATOM 86 CE LYS A 7 -5.753 12.457 5.589 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.155 11.506 6.663 1.00 0.00 N ATOM 0 H LYS A 7 -7.180 8.282 5.150 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.732 8.744 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.117 9.041 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.261 9.272 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.964 10.962 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.851 10.716 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.102 11.201 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.543 12.417 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.156 13.266 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.637 12.912 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.293 12.026 7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.043 11.036 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.410 10.792 6.791 1.00 0.00 H new ATOM 101 N PHE A 8 -5.523 6.856 1.395 1.00 0.00 N ATOM 102 CA PHE A 8 -4.714 5.801 0.717 1.00 0.00 C ATOM 103 C PHE A 8 -3.710 6.479 -0.218 1.00 0.00 C ATOM 104 O PHE A 8 -3.944 7.570 -0.699 1.00 0.00 O ATOM 105 CB PHE A 8 -5.606 4.916 -0.167 1.00 0.00 C ATOM 106 CG PHE A 8 -6.412 3.937 0.651 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.672 4.305 1.111 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.913 2.658 0.930 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.433 3.406 1.859 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.682 1.756 1.681 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.940 2.136 2.148 1.00 0.00 C ATOM 0 H PHE A 8 -6.223 7.306 0.805 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.225 5.200 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.280 5.545 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.986 4.371 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.062 5.287 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.938 2.367 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.410 3.697 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.300 0.769 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.531 1.447 2.733 1.00 0.00 H new ATOM 121 N LEU A 9 -2.621 5.823 -0.512 1.00 0.00 N ATOM 122 CA LEU A 9 -1.626 6.405 -1.465 1.00 0.00 C ATOM 123 C LEU A 9 -1.245 5.321 -2.475 1.00 0.00 C ATOM 124 O LEU A 9 -0.505 4.408 -2.168 1.00 0.00 O ATOM 125 CB LEU A 9 -0.378 6.890 -0.713 1.00 0.00 C ATOM 126 CG LEU A 9 0.700 7.329 -1.716 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.134 8.387 -2.662 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.897 7.911 -0.962 1.00 0.00 C ATOM 0 H LEU A 9 -2.375 4.908 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.061 7.263 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.638 7.722 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.007 6.092 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 9 1.019 6.463 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.905 8.692 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.714 7.972 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.193 9.253 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.660 8.222 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.575 8.773 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.310 7.154 -0.295 1.00 0.00 H new ATOM 140 N VAL A 10 -1.757 5.403 -3.675 1.00 0.00 N ATOM 141 CA VAL A 10 -1.434 4.363 -4.692 1.00 0.00 C ATOM 142 C VAL A 10 -0.185 4.765 -5.484 1.00 0.00 C ATOM 143 O VAL A 10 -0.085 5.867 -5.988 1.00 0.00 O ATOM 144 CB VAL A 10 -2.619 4.211 -5.644 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.649 3.260 -5.030 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.264 5.579 -5.875 1.00 0.00 C ATOM 0 H VAL A 10 -2.383 6.143 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.239 3.416 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.272 3.806 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.495 3.152 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.190 2.285 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.997 3.665 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.110 5.472 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.611 5.983 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.531 6.258 -6.312 1.00 0.00 H new ATOM 156 N VAL A 11 0.763 3.871 -5.604 1.00 0.00 N ATOM 157 CA VAL A 11 2.002 4.177 -6.364 1.00 0.00 C ATOM 158 C VAL A 11 2.377 2.966 -7.216 1.00 0.00 C ATOM 159 O VAL A 11 2.865 1.971 -6.717 1.00 0.00 O ATOM 160 CB VAL A 11 3.149 4.487 -5.394 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.344 5.068 -6.158 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.677 5.493 -4.342 1.00 0.00 C ATOM 0 H VAL A 11 0.727 2.934 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 11 1.829 5.044 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 11 3.455 3.563 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.152 5.284 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.688 4.346 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.043 5.987 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.494 5.711 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.362 6.413 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.838 5.073 -3.787 1.00 0.00 H new ATOM 172 N ASP A 12 2.156 3.038 -8.499 1.00 0.00 N ATOM 173 CA ASP A 12 2.500 1.886 -9.375 1.00 0.00 C ATOM 174 C ASP A 12 2.878 2.399 -10.765 1.00 0.00 C ATOM 175 O ASP A 12 2.070 2.980 -11.462 1.00 0.00 O ATOM 176 CB ASP A 12 1.294 0.952 -9.486 1.00 0.00 C ATOM 177 CG ASP A 12 0.468 1.030 -8.200 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.009 2.109 -7.890 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.329 0.010 -7.546 1.00 0.00 O ATOM 0 H ASP A 12 1.753 3.844 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 12 3.342 1.342 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.681 1.233 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.628 -0.072 -9.655 1.00 0.00 H new ATOM 184 N ASP A 13 4.100 2.189 -11.174 1.00 0.00 N ATOM 185 CA ASP A 13 4.526 2.662 -12.520 1.00 0.00 C ATOM 186 C ASP A 13 3.471 2.259 -13.553 1.00 0.00 C ATOM 187 O ASP A 13 3.429 2.779 -14.650 1.00 0.00 O ATOM 188 CB ASP A 13 5.867 2.022 -12.883 1.00 0.00 C ATOM 189 CG ASP A 13 6.901 3.117 -13.152 1.00 0.00 C ATOM 190 OD1 ASP A 13 7.096 3.948 -12.281 1.00 0.00 O ATOM 191 OD2 ASP A 13 7.482 3.105 -14.225 1.00 0.00 O ATOM 0 H ASP A 13 4.821 1.710 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 13 4.633 3.747 -12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.206 1.379 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.754 1.390 -13.764 1.00 0.00 H new ATOM 196 N PHE A 14 2.615 1.334 -13.206 1.00 0.00 N ATOM 197 CA PHE A 14 1.560 0.894 -14.162 1.00 0.00 C ATOM 198 C PHE A 14 0.689 2.092 -14.543 1.00 0.00 C ATOM 199 O PHE A 14 0.210 2.819 -13.696 1.00 0.00 O ATOM 200 CB PHE A 14 0.691 -0.181 -13.504 1.00 0.00 C ATOM 201 CG PHE A 14 1.094 -1.541 -14.022 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.798 -1.903 -15.341 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.763 -2.440 -13.182 1.00 0.00 C ATOM 204 CE1 PHE A 14 1.171 -3.164 -15.822 1.00 0.00 C ATOM 205 CE2 PHE A 14 2.137 -3.702 -13.664 1.00 0.00 C ATOM 206 CZ PHE A 14 1.841 -4.063 -14.983 1.00 0.00 C ATOM 0 H PHE A 14 2.602 0.865 -12.301 1.00 0.00 H new ATOM 0 HA PHE A 14 2.027 0.484 -15.057 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.806 -0.144 -12.421 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.361 0.005 -13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.282 -1.209 -15.988 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.991 -2.161 -12.164 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.942 -3.443 -16.840 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.654 -4.396 -13.017 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.129 -5.035 -15.354 1.00 0.00 H new ATOM 216 N SER A 15 0.477 2.304 -15.814 1.00 0.00 N ATOM 217 CA SER A 15 -0.363 3.456 -16.246 1.00 0.00 C ATOM 218 C SER A 15 -1.817 3.002 -16.392 1.00 0.00 C ATOM 219 O SER A 15 -2.463 3.269 -17.386 1.00 0.00 O ATOM 220 CB SER A 15 0.144 3.978 -17.591 1.00 0.00 C ATOM 221 OG SER A 15 1.565 3.953 -17.601 1.00 0.00 O ATOM 0 H SER A 15 0.849 1.730 -16.570 1.00 0.00 H new ATOM 0 HA SER A 15 -0.303 4.249 -15.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.247 3.365 -18.403 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.214 4.994 -17.758 1.00 0.00 H new ATOM 0 HG SER A 15 1.892 4.286 -18.463 1.00 0.00 H new ATOM 227 N THR A 16 -2.338 2.321 -15.409 1.00 0.00 N ATOM 228 CA THR A 16 -3.751 1.853 -15.494 1.00 0.00 C ATOM 229 C THR A 16 -4.146 1.178 -14.180 1.00 0.00 C ATOM 230 O THR A 16 -5.308 0.950 -13.911 1.00 0.00 O ATOM 231 CB THR A 16 -3.889 0.849 -16.642 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.136 0.175 -16.530 1.00 0.00 O ATOM 233 CG2 THR A 16 -2.749 -0.169 -16.571 1.00 0.00 C ATOM 0 H THR A 16 -1.847 2.068 -14.551 1.00 0.00 H new ATOM 0 HA THR A 16 -4.404 2.707 -15.676 1.00 0.00 H new ATOM 0 HB THR A 16 -3.843 1.376 -17.595 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.228 -0.467 -17.264 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.848 -0.883 -17.388 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.793 0.348 -16.655 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.793 -0.698 -15.619 1.00 0.00 H new ATOM 241 N MET A 17 -3.185 0.851 -13.358 1.00 0.00 N ATOM 242 CA MET A 17 -3.505 0.187 -12.064 1.00 0.00 C ATOM 243 C MET A 17 -4.141 1.201 -11.109 1.00 0.00 C ATOM 244 O MET A 17 -5.015 0.870 -10.331 1.00 0.00 O ATOM 245 CB MET A 17 -2.218 -0.363 -11.442 1.00 0.00 C ATOM 246 CG MET A 17 -2.399 -0.504 -9.930 1.00 0.00 C ATOM 247 SD MET A 17 -1.180 -1.672 -9.280 1.00 0.00 S ATOM 248 CE MET A 17 -2.009 -2.001 -7.706 1.00 0.00 C ATOM 0 H MET A 17 -2.193 1.015 -13.528 1.00 0.00 H new ATOM 0 HA MET A 17 -4.204 -0.631 -12.240 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.974 -1.330 -11.881 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.384 0.304 -11.658 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.281 0.466 -9.447 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.407 -0.852 -9.705 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.263 -2.203 -6.937 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.601 -1.132 -7.418 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.663 -2.867 -7.813 1.00 0.00 H new ATOM 258 N ARG A 18 -3.708 2.431 -11.156 1.00 0.00 N ATOM 259 CA ARG A 18 -4.286 3.459 -10.245 1.00 0.00 C ATOM 260 C ARG A 18 -5.774 3.645 -10.553 1.00 0.00 C ATOM 261 O ARG A 18 -6.568 3.932 -9.679 1.00 0.00 O ATOM 262 CB ARG A 18 -3.556 4.789 -10.445 1.00 0.00 C ATOM 263 CG ARG A 18 -2.127 4.522 -10.922 1.00 0.00 C ATOM 264 CD ARG A 18 -1.240 5.718 -10.571 1.00 0.00 C ATOM 265 NE ARG A 18 0.069 5.591 -11.271 1.00 0.00 N ATOM 266 CZ ARG A 18 0.262 6.196 -12.411 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.757 6.527 -13.155 1.00 0.00 N ATOM 268 NH2 ARG A 18 1.475 6.470 -12.807 1.00 0.00 N ATOM 0 H ARG A 18 -2.980 2.768 -11.785 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.169 3.130 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.086 5.400 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.540 5.351 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.739 3.618 -10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.117 4.352 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.731 6.646 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.085 5.765 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 18 0.815 5.031 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.705 6.313 -12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.606 7.000 -14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.272 6.211 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.626 6.943 -13.698 1.00 0.00 H new ATOM 282 N ARG A 19 -6.158 3.487 -11.791 1.00 0.00 N ATOM 283 CA ARG A 19 -7.595 3.658 -12.152 1.00 0.00 C ATOM 284 C ARG A 19 -8.386 2.429 -11.696 1.00 0.00 C ATOM 285 O ARG A 19 -9.591 2.476 -11.546 1.00 0.00 O ATOM 286 CB ARG A 19 -7.724 3.812 -13.667 1.00 0.00 C ATOM 287 CG ARG A 19 -9.202 3.934 -14.045 1.00 0.00 C ATOM 288 CD ARG A 19 -9.323 4.491 -15.465 1.00 0.00 C ATOM 289 NE ARG A 19 -8.088 4.165 -16.233 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.178 3.575 -17.395 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.245 2.274 -17.464 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.199 4.288 -18.488 1.00 0.00 N ATOM 0 H ARG A 19 -5.540 3.247 -12.567 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.990 4.547 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.178 4.695 -14.001 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.279 2.953 -14.169 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.685 2.959 -13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.715 4.589 -13.341 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.195 4.066 -15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.470 5.571 -15.432 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.172 4.403 -15.851 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.227 1.716 -16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.315 1.814 -18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.145 5.305 -18.434 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.269 3.828 -19.396 1.00 0.00 H new ATOM 306 N ILE A 20 -7.717 1.332 -11.476 1.00 0.00 N ATOM 307 CA ILE A 20 -8.428 0.099 -11.032 1.00 0.00 C ATOM 308 C ILE A 20 -8.808 0.237 -9.557 1.00 0.00 C ATOM 309 O ILE A 20 -9.920 -0.049 -9.161 1.00 0.00 O ATOM 310 CB ILE A 20 -7.500 -1.112 -11.219 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.759 -1.741 -12.590 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.754 -2.161 -10.128 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.633 -2.721 -12.923 1.00 0.00 C ATOM 0 H ILE A 20 -6.707 1.235 -11.584 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.332 -0.042 -11.624 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.466 -0.774 -11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.718 -2.259 -12.589 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.817 -0.965 -13.353 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.087 -3.010 -10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.566 -1.720 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.789 -2.498 -10.181 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.817 -3.169 -13.899 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.682 -2.189 -12.942 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.596 -3.504 -12.166 1.00 0.00 H new ATOM 325 N VAL A 21 -7.885 0.658 -8.739 1.00 0.00 N ATOM 326 CA VAL A 21 -8.187 0.794 -7.286 1.00 0.00 C ATOM 327 C VAL A 21 -9.133 1.972 -7.051 1.00 0.00 C ATOM 328 O VAL A 21 -9.955 1.945 -6.157 1.00 0.00 O ATOM 329 CB VAL A 21 -6.893 1.011 -6.507 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.656 -0.191 -5.594 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.721 1.149 -7.480 1.00 0.00 C ATOM 0 H VAL A 21 -6.936 0.914 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.668 -0.121 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.973 1.920 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.733 -0.045 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.491 -0.291 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.575 -1.095 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.799 1.304 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.635 0.241 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.893 2.001 -8.138 1.00 0.00 H new ATOM 341 N ARG A 22 -9.025 3.001 -7.842 1.00 0.00 N ATOM 342 CA ARG A 22 -9.921 4.176 -7.663 1.00 0.00 C ATOM 343 C ARG A 22 -11.362 3.699 -7.478 1.00 0.00 C ATOM 344 O ARG A 22 -12.041 4.064 -6.538 1.00 0.00 O ATOM 345 CB ARG A 22 -9.849 5.055 -8.910 1.00 0.00 C ATOM 346 CG ARG A 22 -9.032 6.312 -8.608 1.00 0.00 C ATOM 347 CD ARG A 22 -8.877 7.139 -9.885 1.00 0.00 C ATOM 348 NE ARG A 22 -8.337 8.485 -9.542 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.053 9.314 -8.833 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.347 9.366 -8.996 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.475 10.091 -7.959 1.00 0.00 N ATOM 0 H ARG A 22 -8.354 3.080 -8.606 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.606 4.741 -6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.393 4.502 -9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.854 5.331 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.526 6.903 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.052 6.037 -8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.207 6.633 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.840 7.238 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.408 8.758 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.800 8.758 -9.678 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.905 10.015 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.464 10.050 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.034 10.739 -7.404 1.00 0.00 H new ATOM 365 N ASN A 23 -11.829 2.886 -8.381 1.00 0.00 N ATOM 366 CA ASN A 23 -13.212 2.369 -8.304 1.00 0.00 C ATOM 367 C ASN A 23 -13.321 1.324 -7.202 1.00 0.00 C ATOM 368 O ASN A 23 -14.095 1.454 -6.277 1.00 0.00 O ATOM 369 CB ASN A 23 -13.509 1.700 -9.633 1.00 0.00 C ATOM 370 CG ASN A 23 -14.878 2.141 -10.154 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.985 3.125 -10.858 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.938 1.447 -9.837 1.00 0.00 N ATOM 0 H ASN A 23 -11.295 2.554 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.909 3.180 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.736 1.956 -10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.489 0.617 -9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.855 1.731 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.849 0.621 -9.246 1.00 0.00 H new ATOM 379 N LEU A 24 -12.554 0.277 -7.324 1.00 0.00 N ATOM 380 CA LEU A 24 -12.586 -0.824 -6.317 1.00 0.00 C ATOM 381 C LEU A 24 -12.704 -0.236 -4.902 1.00 0.00 C ATOM 382 O LEU A 24 -13.614 -0.559 -4.163 1.00 0.00 O ATOM 383 CB LEU A 24 -11.288 -1.627 -6.449 1.00 0.00 C ATOM 384 CG LEU A 24 -11.409 -3.022 -5.782 1.00 0.00 C ATOM 385 CD1 LEU A 24 -11.029 -4.117 -6.789 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.474 -3.142 -4.569 1.00 0.00 C ATOM 0 H LEU A 24 -11.896 0.134 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.446 -1.471 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.040 -1.748 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.469 -1.073 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.442 -3.142 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.116 -5.094 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.699 -4.070 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.002 -3.965 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.582 -4.131 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.442 -2.999 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.734 -2.382 -3.833 1.00 0.00 H new ATOM 398 N LEU A 25 -11.806 0.636 -4.525 1.00 0.00 N ATOM 399 CA LEU A 25 -11.883 1.256 -3.167 1.00 0.00 C ATOM 400 C LEU A 25 -13.229 1.967 -3.022 1.00 0.00 C ATOM 401 O LEU A 25 -13.945 1.768 -2.061 1.00 0.00 O ATOM 402 CB LEU A 25 -10.747 2.270 -3.005 1.00 0.00 C ATOM 403 CG LEU A 25 -9.490 1.568 -2.478 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.253 2.357 -2.908 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.528 1.490 -0.945 1.00 0.00 C ATOM 0 H LEU A 25 -11.022 0.946 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.789 0.486 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.534 2.746 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.048 3.060 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.451 0.558 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.357 1.861 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.214 2.407 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.305 3.366 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.630 0.989 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.574 2.497 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.408 0.928 -0.631 1.00 0.00 H new ATOM 417 N LYS A 26 -13.583 2.792 -3.969 1.00 0.00 N ATOM 418 CA LYS A 26 -14.882 3.504 -3.879 1.00 0.00 C ATOM 419 C LYS A 26 -16.003 2.483 -3.679 1.00 0.00 C ATOM 420 O LYS A 26 -16.976 2.738 -2.998 1.00 0.00 O ATOM 421 CB LYS A 26 -15.129 4.287 -5.170 1.00 0.00 C ATOM 422 CG LYS A 26 -14.879 5.776 -4.922 1.00 0.00 C ATOM 423 CD LYS A 26 -14.962 6.534 -6.248 1.00 0.00 C ATOM 424 CE LYS A 26 -14.859 8.037 -5.982 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.540 8.745 -7.253 1.00 0.00 N ATOM 0 H LYS A 26 -13.028 3.001 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.861 4.196 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.471 3.924 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.152 4.132 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.615 6.168 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.898 5.921 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.159 6.215 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.902 6.306 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.797 8.410 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.086 8.234 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.470 9.767 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.634 8.396 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.293 8.567 -7.948 1.00 0.00 H new ATOM 439 N GLU A 27 -15.871 1.327 -4.270 1.00 0.00 N ATOM 440 CA GLU A 27 -16.921 0.287 -4.120 1.00 0.00 C ATOM 441 C GLU A 27 -17.234 0.093 -2.638 1.00 0.00 C ATOM 442 O GLU A 27 -18.370 -0.097 -2.251 1.00 0.00 O ATOM 443 CB GLU A 27 -16.422 -1.033 -4.716 1.00 0.00 C ATOM 444 CG GLU A 27 -17.604 -1.809 -5.301 1.00 0.00 C ATOM 445 CD GLU A 27 -17.244 -3.294 -5.394 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.896 -3.863 -4.373 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.324 -3.835 -6.485 1.00 0.00 O ATOM 0 H GLU A 27 -15.077 1.060 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.824 0.602 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.682 -0.837 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.928 -1.627 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.486 -1.676 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.854 -1.422 -6.289 1.00 0.00 H new ATOM 454 N LEU A 28 -16.233 0.140 -1.803 1.00 0.00 N ATOM 455 CA LEU A 28 -16.472 -0.039 -0.344 1.00 0.00 C ATOM 456 C LEU A 28 -17.064 1.246 0.232 1.00 0.00 C ATOM 457 O LEU A 28 -18.190 1.276 0.687 1.00 0.00 O ATOM 458 CB LEU A 28 -15.142 -0.348 0.354 1.00 0.00 C ATOM 459 CG LEU A 28 -15.275 -1.606 1.219 1.00 0.00 C ATOM 460 CD1 LEU A 28 -16.417 -1.424 2.222 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.566 -2.817 0.326 1.00 0.00 C ATOM 0 H LEU A 28 -15.260 0.295 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.167 -0.864 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.358 -0.491 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.844 0.498 0.974 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.343 -1.770 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.509 -2.320 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.207 -0.567 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.350 -1.255 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.660 -3.710 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.496 -2.653 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.749 -2.951 -0.383 1.00 0.00 H new ATOM 473 N GLY A 29 -16.311 2.306 0.215 1.00 0.00 N ATOM 474 CA GLY A 29 -16.815 3.590 0.759 1.00 0.00 C ATOM 475 C GLY A 29 -15.649 4.553 1.005 1.00 0.00 C ATOM 476 O GLY A 29 -15.731 5.428 1.843 1.00 0.00 O ATOM 0 H GLY A 29 -15.361 2.337 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.524 4.036 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.353 3.413 1.690 1.00 0.00 H new ATOM 480 N PHE A 30 -14.566 4.402 0.284 1.00 0.00 N ATOM 481 CA PHE A 30 -13.399 5.310 0.485 1.00 0.00 C ATOM 482 C PHE A 30 -13.389 6.384 -0.608 1.00 0.00 C ATOM 483 O PHE A 30 -13.694 6.118 -1.754 1.00 0.00 O ATOM 484 CB PHE A 30 -12.099 4.500 0.398 1.00 0.00 C ATOM 485 CG PHE A 30 -11.933 3.648 1.626 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.736 4.257 2.864 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.949 2.249 1.523 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.552 3.475 4.007 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.766 1.464 2.668 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.567 2.078 3.910 1.00 0.00 C ATOM 0 H PHE A 30 -14.441 3.689 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.477 5.782 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.114 3.870 -0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.248 5.174 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.726 5.334 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.102 1.779 0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.398 3.948 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.778 0.387 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.425 1.474 4.794 1.00 0.00 H new ATOM 500 N ASN A 31 -13.040 7.596 -0.266 1.00 0.00 N ATOM 501 CA ASN A 31 -13.011 8.678 -1.293 1.00 0.00 C ATOM 502 C ASN A 31 -11.944 9.720 -0.934 1.00 0.00 C ATOM 503 O ASN A 31 -12.244 10.882 -0.748 1.00 0.00 O ATOM 504 CB ASN A 31 -14.383 9.355 -1.352 1.00 0.00 C ATOM 505 CG ASN A 31 -14.513 10.138 -2.659 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.595 10.822 -3.066 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.624 10.064 -3.340 1.00 0.00 N ATOM 0 H ASN A 31 -12.775 7.883 0.676 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.770 8.243 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.172 8.606 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.506 10.025 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.722 10.580 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.394 9.490 -2.998 1.00 0.00 H new ATOM 514 N ASN A 32 -10.702 9.322 -0.840 1.00 0.00 N ATOM 515 CA ASN A 32 -9.630 10.306 -0.500 1.00 0.00 C ATOM 516 C ASN A 32 -8.256 9.635 -0.616 1.00 0.00 C ATOM 517 O ASN A 32 -7.792 8.978 0.298 1.00 0.00 O ATOM 518 CB ASN A 32 -9.833 10.818 0.932 1.00 0.00 C ATOM 519 CG ASN A 32 -9.316 12.254 1.036 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.090 13.188 1.094 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.029 12.472 1.063 1.00 0.00 N ATOM 0 H ASN A 32 -10.384 8.363 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.681 11.145 -1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.890 10.780 1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.304 10.177 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.675 13.426 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.378 11.688 1.014 1.00 0.00 H new ATOM 528 N VAL A 33 -7.600 9.791 -1.737 1.00 0.00 N ATOM 529 CA VAL A 33 -6.259 9.160 -1.910 1.00 0.00 C ATOM 530 C VAL A 33 -5.369 10.058 -2.763 1.00 0.00 C ATOM 531 O VAL A 33 -5.767 11.122 -3.193 1.00 0.00 O ATOM 532 CB VAL A 33 -6.412 7.795 -2.602 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.761 7.177 -2.236 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.339 7.958 -4.126 1.00 0.00 C ATOM 0 H VAL A 33 -7.935 10.327 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.804 9.024 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.602 7.146 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.864 6.210 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.818 7.042 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.564 7.838 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.449 6.984 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.140 8.617 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.376 8.389 -4.400 1.00 0.00 H new ATOM 544 N GLU A 34 -4.170 9.616 -3.029 1.00 0.00 N ATOM 545 CA GLU A 34 -3.243 10.410 -3.877 1.00 0.00 C ATOM 546 C GLU A 34 -2.502 9.451 -4.808 1.00 0.00 C ATOM 547 O GLU A 34 -2.784 8.268 -4.832 1.00 0.00 O ATOM 548 CB GLU A 34 -2.255 11.179 -3.003 1.00 0.00 C ATOM 549 CG GLU A 34 -2.704 12.641 -2.920 1.00 0.00 C ATOM 550 CD GLU A 34 -2.466 13.328 -4.267 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.829 12.723 -5.113 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.923 14.448 -4.427 1.00 0.00 O ATOM 0 H GLU A 34 -3.792 8.731 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.804 11.136 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.212 10.740 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.251 11.116 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.760 12.693 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.152 13.157 -2.134 1.00 0.00 H new ATOM 559 N GLU A 35 -1.570 9.942 -5.581 1.00 0.00 N ATOM 560 CA GLU A 35 -0.841 9.045 -6.524 1.00 0.00 C ATOM 561 C GLU A 35 0.623 9.464 -6.652 1.00 0.00 C ATOM 562 O GLU A 35 0.966 10.624 -6.542 1.00 0.00 O ATOM 563 CB GLU A 35 -1.490 9.120 -7.913 1.00 0.00 C ATOM 564 CG GLU A 35 -3.017 9.055 -7.796 1.00 0.00 C ATOM 565 CD GLU A 35 -3.558 10.400 -7.304 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.971 11.414 -7.644 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.553 10.393 -6.598 1.00 0.00 O ATOM 0 H GLU A 35 -1.283 10.921 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.892 8.029 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.196 10.045 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.132 8.299 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.455 8.809 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.304 8.262 -7.105 1.00 0.00 H new ATOM 574 N ALA A 36 1.481 8.517 -6.913 1.00 0.00 N ATOM 575 CA ALA A 36 2.928 8.828 -7.089 1.00 0.00 C ATOM 576 C ALA A 36 3.472 7.945 -8.215 1.00 0.00 C ATOM 577 O ALA A 36 2.756 7.123 -8.753 1.00 0.00 O ATOM 578 CB ALA A 36 3.683 8.550 -5.788 1.00 0.00 C ATOM 0 H ALA A 36 1.239 7.531 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 36 3.061 9.880 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.740 8.780 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.276 9.173 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.572 7.499 -5.520 1.00 0.00 H new ATOM 584 N GLU A 37 4.719 8.110 -8.588 1.00 0.00 N ATOM 585 CA GLU A 37 5.289 7.279 -9.697 1.00 0.00 C ATOM 586 C GLU A 37 6.397 6.364 -9.166 1.00 0.00 C ATOM 587 O GLU A 37 7.031 5.655 -9.920 1.00 0.00 O ATOM 588 CB GLU A 37 5.874 8.197 -10.773 1.00 0.00 C ATOM 589 CG GLU A 37 4.797 9.171 -11.258 1.00 0.00 C ATOM 590 CD GLU A 37 5.327 10.604 -11.170 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.477 11.092 -10.062 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.573 11.189 -12.212 1.00 0.00 O ATOM 0 H GLU A 37 5.365 8.782 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 37 4.492 6.667 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.724 8.749 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.245 7.604 -11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.517 8.938 -12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.898 9.067 -10.651 1.00 0.00 H new ATOM 599 N ASP A 38 6.639 6.368 -7.883 1.00 0.00 N ATOM 600 CA ASP A 38 7.710 5.489 -7.329 1.00 0.00 C ATOM 601 C ASP A 38 7.920 5.820 -5.852 1.00 0.00 C ATOM 602 O ASP A 38 7.226 6.644 -5.289 1.00 0.00 O ATOM 603 CB ASP A 38 9.021 5.718 -8.090 1.00 0.00 C ATOM 604 CG ASP A 38 9.086 7.168 -8.576 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.066 8.054 -7.738 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.153 7.367 -9.778 1.00 0.00 O ATOM 0 H ASP A 38 6.145 6.939 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 38 7.410 4.447 -7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.871 5.502 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.085 5.036 -8.938 1.00 0.00 H new ATOM 611 N GLY A 39 8.869 5.192 -5.218 1.00 0.00 N ATOM 612 CA GLY A 39 9.108 5.486 -3.780 1.00 0.00 C ATOM 613 C GLY A 39 9.720 6.877 -3.644 1.00 0.00 C ATOM 614 O GLY A 39 9.558 7.536 -2.639 1.00 0.00 O ATOM 0 H GLY A 39 9.486 4.492 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.171 5.433 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.775 4.739 -3.350 1.00 0.00 H new ATOM 618 N VAL A 40 10.403 7.343 -4.651 1.00 0.00 N ATOM 619 CA VAL A 40 10.993 8.705 -4.568 1.00 0.00 C ATOM 620 C VAL A 40 9.850 9.715 -4.508 1.00 0.00 C ATOM 621 O VAL A 40 9.863 10.651 -3.730 1.00 0.00 O ATOM 622 CB VAL A 40 11.853 8.973 -5.806 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.941 10.481 -6.054 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.260 8.414 -5.578 1.00 0.00 C ATOM 0 H VAL A 40 10.577 6.843 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 40 11.621 8.790 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 40 11.402 8.489 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.554 10.670 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.940 10.882 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.392 10.966 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.874 8.604 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.708 8.900 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.201 7.340 -5.402 1.00 0.00 H new ATOM 634 N ASP A 41 8.850 9.514 -5.319 1.00 0.00 N ATOM 635 CA ASP A 41 7.686 10.435 -5.319 1.00 0.00 C ATOM 636 C ASP A 41 6.828 10.142 -4.093 1.00 0.00 C ATOM 637 O ASP A 41 6.331 11.036 -3.439 1.00 0.00 O ATOM 638 CB ASP A 41 6.867 10.189 -6.582 1.00 0.00 C ATOM 639 CG ASP A 41 6.033 11.429 -6.907 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.935 11.534 -6.385 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.506 12.253 -7.673 1.00 0.00 O ATOM 0 H ASP A 41 8.791 8.745 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 41 8.022 11.472 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.529 9.955 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.215 9.327 -6.442 1.00 0.00 H new ATOM 646 N ALA A 42 6.655 8.888 -3.779 1.00 0.00 N ATOM 647 CA ALA A 42 5.834 8.526 -2.595 1.00 0.00 C ATOM 648 C ALA A 42 6.487 9.096 -1.336 1.00 0.00 C ATOM 649 O ALA A 42 5.820 9.572 -0.446 1.00 0.00 O ATOM 650 CB ALA A 42 5.752 7.006 -2.484 1.00 0.00 C ATOM 0 H ALA A 42 7.048 8.099 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 42 4.830 8.937 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.150 6.737 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.292 6.600 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.755 6.595 -2.372 1.00 0.00 H new ATOM 656 N LEU A 43 7.789 9.053 -1.256 1.00 0.00 N ATOM 657 CA LEU A 43 8.478 9.598 -0.051 1.00 0.00 C ATOM 658 C LEU A 43 8.194 11.095 0.059 1.00 0.00 C ATOM 659 O LEU A 43 7.816 11.591 1.101 1.00 0.00 O ATOM 660 CB LEU A 43 9.988 9.380 -0.177 1.00 0.00 C ATOM 661 CG LEU A 43 10.392 8.125 0.599 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.735 7.611 0.078 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.520 8.467 2.085 1.00 0.00 C ATOM 0 H LEU A 43 8.404 8.665 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 43 8.110 9.085 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.264 9.276 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.524 10.247 0.209 1.00 0.00 H new ATOM 0 HG LEU A 43 9.633 7.355 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.022 6.717 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.646 7.369 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.496 8.380 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.808 7.574 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.280 9.237 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.564 8.833 2.458 1.00 0.00 H new ATOM 675 N ASN A 44 8.376 11.819 -1.010 1.00 0.00 N ATOM 676 CA ASN A 44 8.121 13.285 -0.969 1.00 0.00 C ATOM 677 C ASN A 44 6.638 13.548 -0.683 1.00 0.00 C ATOM 678 O ASN A 44 6.278 14.559 -0.116 1.00 0.00 O ATOM 679 CB ASN A 44 8.495 13.899 -2.319 1.00 0.00 C ATOM 680 CG ASN A 44 9.941 14.398 -2.273 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.246 15.348 -1.580 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.849 13.791 -2.987 1.00 0.00 N ATOM 0 H ASN A 44 8.691 11.458 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 44 8.723 13.734 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.380 13.159 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.822 14.724 -2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.816 14.114 -2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.592 12.993 -3.568 1.00 0.00 H new ATOM 689 N LYS A 45 5.776 12.654 -1.084 1.00 0.00 N ATOM 690 CA LYS A 45 4.317 12.865 -0.847 1.00 0.00 C ATOM 691 C LYS A 45 3.896 12.265 0.502 1.00 0.00 C ATOM 692 O LYS A 45 2.909 12.669 1.084 1.00 0.00 O ATOM 693 CB LYS A 45 3.521 12.191 -1.968 1.00 0.00 C ATOM 694 CG LYS A 45 2.067 12.684 -1.937 1.00 0.00 C ATOM 695 CD LYS A 45 1.795 13.625 -3.119 1.00 0.00 C ATOM 696 CE LYS A 45 2.576 14.930 -2.937 1.00 0.00 C ATOM 697 NZ LYS A 45 2.253 15.521 -1.607 1.00 0.00 N ATOM 0 H LYS A 45 6.017 11.787 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 45 4.115 13.936 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.972 12.417 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.551 11.108 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.387 11.833 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.872 13.203 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.086 13.144 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.728 13.836 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.647 14.739 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.321 15.632 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.999 16.523 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.453 15.008 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.081 15.445 -0.983 1.00 0.00 H new ATOM 711 N LEU A 46 4.623 11.301 0.999 1.00 0.00 N ATOM 712 CA LEU A 46 4.245 10.675 2.302 1.00 0.00 C ATOM 713 C LEU A 46 4.225 11.743 3.399 1.00 0.00 C ATOM 714 O LEU A 46 3.571 11.591 4.413 1.00 0.00 O ATOM 715 CB LEU A 46 5.266 9.586 2.664 1.00 0.00 C ATOM 716 CG LEU A 46 4.581 8.215 2.791 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.516 8.257 3.888 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.918 7.823 1.466 1.00 0.00 C ATOM 0 H LEU A 46 5.461 10.919 0.561 1.00 0.00 H new ATOM 0 HA LEU A 46 3.254 10.229 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.042 9.540 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.758 9.840 3.603 1.00 0.00 H new ATOM 0 HG LEU A 46 5.341 7.477 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.038 7.281 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.983 8.512 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.767 9.008 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.438 6.850 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.170 8.569 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.674 7.770 0.683 1.00 0.00 H new ATOM 730 N GLN A 47 4.934 12.822 3.209 1.00 0.00 N ATOM 731 CA GLN A 47 4.948 13.894 4.246 1.00 0.00 C ATOM 732 C GLN A 47 3.647 14.695 4.169 1.00 0.00 C ATOM 733 O GLN A 47 3.424 15.607 4.940 1.00 0.00 O ATOM 734 CB GLN A 47 6.137 14.827 4.005 1.00 0.00 C ATOM 735 CG GLN A 47 6.371 14.974 2.501 1.00 0.00 C ATOM 736 CD GLN A 47 7.278 16.178 2.240 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.762 16.846 3.251 1.00 0.00 O flip ATOM 738 NE2 GLN A 47 7.549 16.515 1.104 1.00 0.00 N flip ATOM 0 H GLN A 47 5.503 13.008 2.383 1.00 0.00 H new ATOM 0 HA GLN A 47 5.039 13.441 5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.944 15.803 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.030 14.428 4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.828 14.068 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.420 15.104 1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.171 15.993 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.154 17.320 0.941 1.00 0.00 H new ATOM 747 N ALA A 48 2.790 14.362 3.243 1.00 0.00 N ATOM 748 CA ALA A 48 1.506 15.102 3.112 1.00 0.00 C ATOM 749 C ALA A 48 0.866 15.268 4.492 1.00 0.00 C ATOM 750 O ALA A 48 0.939 16.318 5.099 1.00 0.00 O ATOM 751 CB ALA A 48 0.557 14.322 2.200 1.00 0.00 C ATOM 0 H ALA A 48 2.925 13.607 2.570 1.00 0.00 H new ATOM 0 HA ALA A 48 1.698 16.085 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.384 14.865 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.011 14.207 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.366 13.338 2.629 1.00 0.00 H new ATOM 757 N GLY A 49 0.240 14.238 4.994 1.00 0.00 N ATOM 758 CA GLY A 49 -0.402 14.339 6.335 1.00 0.00 C ATOM 759 C GLY A 49 -0.388 12.968 7.014 1.00 0.00 C ATOM 760 O GLY A 49 -1.046 12.754 8.014 1.00 0.00 O ATOM 0 H GLY A 49 0.146 13.333 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.129 15.066 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.427 14.695 6.233 1.00 0.00 H new ATOM 764 N GLY A 50 0.354 12.038 6.481 1.00 0.00 N ATOM 765 CA GLY A 50 0.408 10.682 7.096 1.00 0.00 C ATOM 766 C GLY A 50 -0.672 9.798 6.471 1.00 0.00 C ATOM 767 O GLY A 50 -1.779 9.712 6.962 1.00 0.00 O ATOM 0 H GLY A 50 0.926 12.158 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.392 10.239 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.257 10.753 8.173 1.00 0.00 H new ATOM 771 N TYR A 51 -0.357 9.139 5.390 1.00 0.00 N ATOM 772 CA TYR A 51 -1.362 8.264 4.732 1.00 0.00 C ATOM 773 C TYR A 51 -1.639 7.052 5.613 1.00 0.00 C ATOM 774 O TYR A 51 -0.856 6.130 5.677 1.00 0.00 O ATOM 775 CB TYR A 51 -0.815 7.795 3.386 1.00 0.00 C ATOM 776 CG TYR A 51 -0.930 8.918 2.391 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.092 9.064 1.624 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.126 9.820 2.244 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.194 10.117 0.708 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.025 10.872 1.331 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.133 11.020 0.563 1.00 0.00 C ATOM 782 OH TYR A 51 -1.230 12.060 -0.334 1.00 0.00 O ATOM 0 H TYR A 51 0.555 9.170 4.935 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.287 8.821 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.226 7.489 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.370 6.925 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.908 8.366 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.021 9.704 2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.089 10.233 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.841 11.570 1.219 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.407 12.592 -0.308 1.00 0.00 H new ATOM 792 N GLY A 52 -2.753 7.037 6.286 1.00 0.00 N ATOM 793 CA GLY A 52 -3.074 5.874 7.155 1.00 0.00 C ATOM 794 C GLY A 52 -2.930 4.589 6.347 1.00 0.00 C ATOM 795 O GLY A 52 -2.990 3.500 6.879 1.00 0.00 O ATOM 0 H GLY A 52 -3.454 7.778 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.406 5.853 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.089 5.963 7.541 1.00 0.00 H new ATOM 799 N PHE A 53 -2.752 4.703 5.061 1.00 0.00 N ATOM 800 CA PHE A 53 -2.616 3.478 4.229 1.00 0.00 C ATOM 801 C PHE A 53 -1.822 3.793 2.961 1.00 0.00 C ATOM 802 O PHE A 53 -2.104 4.750 2.266 1.00 0.00 O ATOM 803 CB PHE A 53 -4.010 3.012 3.843 1.00 0.00 C ATOM 804 CG PHE A 53 -4.178 1.543 4.127 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.472 1.111 5.422 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.095 0.622 3.086 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.675 -0.246 5.675 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.306 -0.732 3.332 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.597 -1.173 4.629 1.00 0.00 C ATOM 0 H PHE A 53 -2.695 5.586 4.553 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.092 2.704 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.756 3.582 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.183 3.205 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.542 1.827 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.866 0.959 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.892 -0.581 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.245 -1.443 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.760 -2.223 4.821 1.00 0.00 H new ATOM 819 N VAL A 54 -0.837 2.990 2.649 1.00 0.00 N ATOM 820 CA VAL A 54 -0.037 3.243 1.412 1.00 0.00 C ATOM 821 C VAL A 54 -0.041 1.992 0.536 1.00 0.00 C ATOM 822 O VAL A 54 0.481 0.955 0.898 1.00 0.00 O ATOM 823 CB VAL A 54 1.397 3.624 1.785 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.222 3.802 0.510 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.385 4.943 2.563 1.00 0.00 C ATOM 0 H VAL A 54 -0.553 2.175 3.193 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.483 4.068 0.856 1.00 0.00 H new ATOM 0 HB VAL A 54 1.835 2.838 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.244 4.074 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.228 2.869 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.783 4.591 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.406 5.217 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.949 5.727 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.792 4.825 3.470 1.00 0.00 H new ATOM 835 N ILE A 55 -0.640 2.094 -0.620 1.00 0.00 N ATOM 836 CA ILE A 55 -0.707 0.934 -1.550 1.00 0.00 C ATOM 837 C ILE A 55 0.365 1.107 -2.631 1.00 0.00 C ATOM 838 O ILE A 55 0.080 1.505 -3.743 1.00 0.00 O ATOM 839 CB ILE A 55 -2.097 0.901 -2.196 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.165 0.809 -1.104 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.212 -0.312 -3.113 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.539 1.104 -1.706 1.00 0.00 C ATOM 0 H ILE A 55 -1.091 2.943 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.534 0.002 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.242 1.811 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.158 -0.185 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.946 1.519 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.202 -0.331 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.454 -0.251 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.063 -1.222 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.299 1.038 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.542 2.107 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.757 0.377 -2.488 1.00 0.00 H new ATOM 854 N SER A 56 1.600 0.828 -2.301 1.00 0.00 N ATOM 855 CA SER A 56 2.703 0.993 -3.294 1.00 0.00 C ATOM 856 C SER A 56 3.083 -0.357 -3.903 1.00 0.00 C ATOM 857 O SER A 56 3.356 -1.311 -3.208 1.00 0.00 O ATOM 858 CB SER A 56 3.928 1.577 -2.591 1.00 0.00 C ATOM 859 OG SER A 56 4.796 0.520 -2.205 1.00 0.00 O ATOM 0 H SER A 56 1.893 0.492 -1.383 1.00 0.00 H new ATOM 0 HA SER A 56 2.363 1.660 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.449 2.266 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.621 2.149 -1.715 1.00 0.00 H new ATOM 0 HG SER A 56 5.584 0.891 -1.755 1.00 0.00 H new ATOM 865 N ASP A 57 3.129 -0.443 -5.198 1.00 0.00 N ATOM 866 CA ASP A 57 3.515 -1.730 -5.830 1.00 0.00 C ATOM 867 C ASP A 57 4.969 -2.037 -5.466 1.00 0.00 C ATOM 868 O ASP A 57 5.705 -1.173 -5.032 1.00 0.00 O ATOM 869 CB ASP A 57 3.378 -1.614 -7.349 1.00 0.00 C ATOM 870 CG ASP A 57 3.124 -2.998 -7.947 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.031 -3.813 -7.912 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.026 -3.220 -8.433 1.00 0.00 O ATOM 0 H ASP A 57 2.917 0.317 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 57 2.867 -2.531 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.558 -0.942 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.284 -1.183 -7.774 1.00 0.00 H new ATOM 877 N TRP A 58 5.397 -3.256 -5.650 1.00 0.00 N ATOM 878 CA TRP A 58 6.811 -3.612 -5.326 1.00 0.00 C ATOM 879 C TRP A 58 7.751 -2.668 -6.096 1.00 0.00 C ATOM 880 O TRP A 58 8.956 -2.724 -5.964 1.00 0.00 O ATOM 881 CB TRP A 58 7.060 -5.064 -5.762 1.00 0.00 C ATOM 882 CG TRP A 58 7.602 -5.912 -4.638 1.00 0.00 C ATOM 883 CD1 TRP A 58 7.227 -7.195 -4.415 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.603 -5.604 -3.609 1.00 0.00 C ATOM 885 NE1 TRP A 58 7.920 -7.691 -3.329 1.00 0.00 N ATOM 886 CE2 TRP A 58 8.778 -6.755 -2.796 1.00 0.00 C ATOM 887 CE3 TRP A 58 9.368 -4.465 -3.295 1.00 0.00 C ATOM 888 CZ2 TRP A 58 9.674 -6.769 -1.724 1.00 0.00 C ATOM 889 CZ3 TRP A 58 10.267 -4.485 -2.217 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.418 -5.636 -1.436 1.00 0.00 C ATOM 0 H TRP A 58 4.829 -4.023 -6.011 1.00 0.00 H new ATOM 0 HA TRP A 58 6.997 -3.512 -4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.128 -5.497 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.763 -5.076 -6.595 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.500 -7.743 -4.996 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.810 -8.637 -2.965 1.00 0.00 H new ATOM 0 HE3 TRP A 58 9.263 -3.569 -3.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 9.786 -7.659 -1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.848 -3.604 -1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.113 -5.641 -0.610 1.00 0.00 H new ATOM 901 N ASN A 59 7.209 -1.790 -6.897 1.00 0.00 N ATOM 902 CA ASN A 59 8.069 -0.837 -7.656 1.00 0.00 C ATOM 903 C ASN A 59 9.236 -1.581 -8.312 1.00 0.00 C ATOM 904 O ASN A 59 9.151 -2.758 -8.603 1.00 0.00 O ATOM 905 CB ASN A 59 8.602 0.222 -6.689 1.00 0.00 C ATOM 906 CG ASN A 59 7.438 1.060 -6.156 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.018 0.891 -5.029 1.00 0.00 O ATOM 908 ND2 ASN A 59 6.897 1.965 -6.925 1.00 0.00 N ATOM 0 H ASN A 59 6.207 -1.692 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 59 7.481 -0.361 -8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.127 -0.257 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.323 0.863 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.121 2.530 -6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.250 2.107 -7.871 1.00 0.00 H new ATOM 915 N MET A 60 10.326 -0.899 -8.552 1.00 0.00 N ATOM 916 CA MET A 60 11.497 -1.555 -9.190 1.00 0.00 C ATOM 917 C MET A 60 12.571 -0.510 -9.568 1.00 0.00 C ATOM 918 O MET A 60 13.736 -0.746 -9.320 1.00 0.00 O ATOM 919 CB MET A 60 11.042 -2.360 -10.426 1.00 0.00 C ATOM 920 CG MET A 60 12.036 -2.201 -11.586 1.00 0.00 C ATOM 921 SD MET A 60 11.611 -3.375 -12.898 1.00 0.00 S ATOM 922 CE MET A 60 13.300 -3.722 -13.448 1.00 0.00 C ATOM 0 H MET A 60 10.452 0.089 -8.331 1.00 0.00 H new ATOM 0 HA MET A 60 11.946 -2.246 -8.476 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.950 -3.414 -10.164 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.054 -2.022 -10.740 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.005 -1.181 -11.970 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.053 -2.380 -11.237 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.275 -4.438 -14.269 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.770 -2.798 -13.786 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.874 -4.139 -12.620 1.00 0.00 H new ATOM 932 N PRO A 61 12.186 0.613 -10.160 1.00 0.00 N ATOM 933 CA PRO A 61 13.176 1.638 -10.548 1.00 0.00 C ATOM 934 C PRO A 61 13.844 2.228 -9.303 1.00 0.00 C ATOM 935 O PRO A 61 13.186 2.712 -8.404 1.00 0.00 O ATOM 936 CB PRO A 61 12.373 2.713 -11.290 1.00 0.00 C ATOM 937 CG PRO A 61 10.893 2.262 -11.312 1.00 0.00 C ATOM 938 CD PRO A 61 10.786 0.964 -10.496 1.00 0.00 C ATOM 0 HA PRO A 61 13.971 1.226 -11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.472 3.677 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.750 2.839 -12.305 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.252 3.034 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.559 2.098 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.188 1.110 -9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.307 0.173 -11.072 1.00 0.00 H new ATOM 946 N ASN A 62 15.149 2.193 -9.247 1.00 0.00 N ATOM 947 CA ASN A 62 15.864 2.751 -8.064 1.00 0.00 C ATOM 948 C ASN A 62 15.187 2.262 -6.782 1.00 0.00 C ATOM 949 O ASN A 62 14.635 1.180 -6.734 1.00 0.00 O ATOM 950 CB ASN A 62 15.815 4.280 -8.114 1.00 0.00 C ATOM 951 CG ASN A 62 15.769 4.745 -9.571 1.00 0.00 C ATOM 952 OD1 ASN A 62 16.744 4.633 -10.287 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.669 5.266 -10.043 1.00 0.00 N ATOM 0 H ASN A 62 15.751 1.801 -9.971 1.00 0.00 H new ATOM 0 HA ASN A 62 16.902 2.419 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.938 4.643 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.689 4.698 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.628 5.579 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.850 5.360 -9.442 1.00 0.00 H new ATOM 960 N MET A 63 15.221 3.052 -5.744 1.00 0.00 N ATOM 961 CA MET A 63 14.576 2.630 -4.469 1.00 0.00 C ATOM 962 C MET A 63 13.166 2.113 -4.765 1.00 0.00 C ATOM 963 O MET A 63 12.309 2.849 -5.213 1.00 0.00 O ATOM 964 CB MET A 63 14.488 3.825 -3.517 1.00 0.00 C ATOM 965 CG MET A 63 14.095 5.082 -4.298 1.00 0.00 C ATOM 966 SD MET A 63 15.566 6.095 -4.590 1.00 0.00 S ATOM 967 CE MET A 63 15.587 6.931 -2.985 1.00 0.00 C ATOM 0 H MET A 63 15.666 3.969 -5.724 1.00 0.00 H new ATOM 0 HA MET A 63 15.169 1.841 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.754 3.626 -2.736 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.447 3.978 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.637 4.805 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.352 5.652 -3.740 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.431 7.619 -2.944 1.00 0.00 H new ATOM 0 HE2 MET A 63 14.659 7.487 -2.852 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.683 6.191 -2.191 1.00 0.00 H new ATOM 977 N ASP A 64 12.918 0.855 -4.520 1.00 0.00 N ATOM 978 CA ASP A 64 11.560 0.305 -4.792 1.00 0.00 C ATOM 979 C ASP A 64 10.656 0.556 -3.577 1.00 0.00 C ATOM 980 O ASP A 64 10.944 1.395 -2.747 1.00 0.00 O ATOM 981 CB ASP A 64 11.664 -1.197 -5.085 1.00 0.00 C ATOM 982 CG ASP A 64 12.802 -1.802 -4.261 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.945 -1.480 -4.541 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.512 -2.578 -3.366 1.00 0.00 O ATOM 0 H ASP A 64 13.593 0.188 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 64 11.127 0.801 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.723 -1.691 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.845 -1.359 -6.148 1.00 0.00 H new ATOM 989 N GLY A 65 9.557 -0.144 -3.472 1.00 0.00 N ATOM 990 CA GLY A 65 8.638 0.081 -2.321 1.00 0.00 C ATOM 991 C GLY A 65 9.349 -0.212 -0.989 1.00 0.00 C ATOM 992 O GLY A 65 8.750 -0.141 0.067 1.00 0.00 O ATOM 0 H GLY A 65 9.258 -0.861 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.283 1.111 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.761 -0.559 -2.419 1.00 0.00 H new ATOM 996 N LEU A 66 10.614 -0.546 -1.020 1.00 0.00 N ATOM 997 CA LEU A 66 11.325 -0.849 0.262 1.00 0.00 C ATOM 998 C LEU A 66 11.779 0.446 0.937 1.00 0.00 C ATOM 999 O LEU A 66 11.304 0.781 2.003 1.00 0.00 O ATOM 1000 CB LEU A 66 12.537 -1.755 -0.018 1.00 0.00 C ATOM 1001 CG LEU A 66 12.716 -2.804 1.097 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.457 -3.666 1.249 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.891 -3.716 0.740 1.00 0.00 C ATOM 0 H LEU A 66 11.180 -0.622 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 66 10.640 -1.367 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.405 -2.257 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.438 -1.147 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 66 12.901 -2.281 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.611 -4.398 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.609 -3.030 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.256 -4.184 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.024 -4.461 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.688 -4.217 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.799 -3.120 0.648 1.00 0.00 H new ATOM 1015 N GLU A 67 12.681 1.186 0.341 1.00 0.00 N ATOM 1016 CA GLU A 67 13.120 2.459 0.986 1.00 0.00 C ATOM 1017 C GLU A 67 11.868 3.229 1.402 1.00 0.00 C ATOM 1018 O GLU A 67 11.893 4.082 2.268 1.00 0.00 O ATOM 1019 CB GLU A 67 13.934 3.292 -0.005 1.00 0.00 C ATOM 1020 CG GLU A 67 15.038 4.042 0.743 1.00 0.00 C ATOM 1021 CD GLU A 67 16.110 3.051 1.201 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.900 1.862 1.030 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.121 3.498 1.716 1.00 0.00 O ATOM 0 H GLU A 67 13.126 0.968 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 67 13.745 2.248 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.371 2.646 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.285 3.999 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.481 4.799 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.619 4.564 1.603 1.00 0.00 H new ATOM 1030 N LEU A 68 10.764 2.890 0.797 1.00 0.00 N ATOM 1031 CA LEU A 68 9.472 3.535 1.131 1.00 0.00 C ATOM 1032 C LEU A 68 9.084 3.114 2.544 1.00 0.00 C ATOM 1033 O LEU A 68 8.986 3.923 3.446 1.00 0.00 O ATOM 1034 CB LEU A 68 8.424 3.021 0.147 1.00 0.00 C ATOM 1035 CG LEU A 68 7.898 4.161 -0.718 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.060 3.575 -1.860 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.027 5.093 0.130 1.00 0.00 C ATOM 0 H LEU A 68 10.706 2.177 0.070 1.00 0.00 H new ATOM 0 HA LEU A 68 9.544 4.621 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.859 2.248 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.600 2.560 0.692 1.00 0.00 H new ATOM 0 HG LEU A 68 8.735 4.728 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.680 4.384 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.680 2.912 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.224 3.012 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.653 5.907 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.186 4.533 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.621 5.504 0.946 1.00 0.00 H new ATOM 1049 N LEU A 69 8.883 1.839 2.739 1.00 0.00 N ATOM 1050 CA LEU A 69 8.518 1.332 4.089 1.00 0.00 C ATOM 1051 C LEU A 69 9.577 1.767 5.091 1.00 0.00 C ATOM 1052 O LEU A 69 9.326 2.555 5.978 1.00 0.00 O ATOM 1053 CB LEU A 69 8.498 -0.189 4.057 1.00 0.00 C ATOM 1054 CG LEU A 69 7.453 -0.687 3.063 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.593 -2.198 2.892 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.057 -0.377 3.583 1.00 0.00 C ATOM 0 H LEU A 69 8.957 1.124 2.015 1.00 0.00 H new ATOM 0 HA LEU A 69 7.542 1.724 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.482 -0.566 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.277 -0.577 5.051 1.00 0.00 H new ATOM 0 HG LEU A 69 7.606 -0.188 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.847 -2.555 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.590 -2.431 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.442 -2.689 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.315 -0.735 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.907 -0.874 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.947 0.700 3.711 1.00 0.00 H new ATOM 1068 N LYS A 70 10.752 1.221 4.944 1.00 0.00 N ATOM 1069 CA LYS A 70 11.893 1.540 5.865 1.00 0.00 C ATOM 1070 C LYS A 70 11.775 2.972 6.394 1.00 0.00 C ATOM 1071 O LYS A 70 11.792 3.204 7.586 1.00 0.00 O ATOM 1072 CB LYS A 70 13.215 1.388 5.109 1.00 0.00 C ATOM 1073 CG LYS A 70 14.361 1.925 5.970 1.00 0.00 C ATOM 1074 CD LYS A 70 15.606 1.061 5.760 1.00 0.00 C ATOM 1075 CE LYS A 70 16.780 1.651 6.544 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.452 1.667 7.999 1.00 0.00 N ATOM 0 H LYS A 70 10.980 0.551 4.209 1.00 0.00 H new ATOM 0 HA LYS A 70 11.864 0.850 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.389 0.340 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.171 1.931 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.575 2.960 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.074 1.918 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.412 0.040 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.852 1.012 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.680 1.061 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.990 2.663 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.325 1.789 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.803 2.454 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.999 0.769 8.263 1.00 0.00 H new ATOM 1090 N THR A 71 11.642 3.936 5.523 1.00 0.00 N ATOM 1091 CA THR A 71 11.508 5.341 5.997 1.00 0.00 C ATOM 1092 C THR A 71 10.275 5.441 6.897 1.00 0.00 C ATOM 1093 O THR A 71 10.323 5.987 7.982 1.00 0.00 O ATOM 1094 CB THR A 71 11.336 6.272 4.796 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.584 6.422 4.132 1.00 0.00 O ATOM 1096 CG2 THR A 71 10.841 7.639 5.273 1.00 0.00 C ATOM 0 H THR A 71 11.621 3.812 4.511 1.00 0.00 H new ATOM 0 HA THR A 71 12.400 5.631 6.552 1.00 0.00 H new ATOM 0 HB THR A 71 10.607 5.845 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.646 5.772 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.719 8.301 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.884 7.522 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.567 8.069 5.963 1.00 0.00 H new ATOM 1104 N ILE A 72 9.172 4.907 6.452 1.00 0.00 N ATOM 1105 CA ILE A 72 7.927 4.950 7.270 1.00 0.00 C ATOM 1106 C ILE A 72 8.182 4.265 8.615 1.00 0.00 C ATOM 1107 O ILE A 72 7.695 4.691 9.644 1.00 0.00 O ATOM 1108 CB ILE A 72 6.810 4.206 6.528 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.564 4.870 5.164 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.527 4.256 7.359 1.00 0.00 C ATOM 1111 CD1 ILE A 72 5.937 3.870 4.178 1.00 0.00 C ATOM 0 H ILE A 72 9.079 4.439 5.550 1.00 0.00 H new ATOM 0 HA ILE A 72 7.632 5.986 7.436 1.00 0.00 H new ATOM 0 HB ILE A 72 7.106 3.168 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.905 5.730 5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.505 5.244 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.732 3.728 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.700 3.782 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.233 5.294 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.771 4.360 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.610 3.023 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.985 3.517 4.574 1.00 0.00 H new ATOM 1123 N ARG A 73 8.938 3.201 8.611 1.00 0.00 N ATOM 1124 CA ARG A 73 9.226 2.477 9.883 1.00 0.00 C ATOM 1125 C ARG A 73 10.402 3.146 10.600 1.00 0.00 C ATOM 1126 O ARG A 73 10.722 2.819 11.726 1.00 0.00 O ATOM 1127 CB ARG A 73 9.579 1.021 9.564 1.00 0.00 C ATOM 1128 CG ARG A 73 9.802 0.240 10.863 1.00 0.00 C ATOM 1129 CD ARG A 73 11.292 -0.074 11.020 1.00 0.00 C ATOM 1130 NE ARG A 73 11.722 -0.995 9.931 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.885 -1.584 9.997 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.215 -2.263 11.061 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.719 -1.495 8.996 1.00 0.00 N ATOM 0 H ARG A 73 9.370 2.800 7.779 1.00 0.00 H new ATOM 0 HA ARG A 73 8.348 2.508 10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.777 0.562 8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.477 0.982 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.450 0.822 11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.224 -0.684 10.848 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.875 0.847 10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.478 -0.531 11.992 1.00 0.00 H new ATOM 0 HE ARG A 73 11.108 -1.165 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.564 -2.334 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.124 -2.723 11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.461 -0.965 8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.628 -1.955 9.047 1.00 0.00 H new ATOM 1147 N ALA A 74 11.048 4.080 9.958 1.00 0.00 N ATOM 1148 CA ALA A 74 12.201 4.765 10.606 1.00 0.00 C ATOM 1149 C ALA A 74 11.684 5.763 11.645 1.00 0.00 C ATOM 1150 O ALA A 74 12.359 6.085 12.601 1.00 0.00 O ATOM 1151 CB ALA A 74 13.010 5.512 9.545 1.00 0.00 C ATOM 0 H ALA A 74 10.828 4.398 9.014 1.00 0.00 H new ATOM 0 HA ALA A 74 12.835 4.025 11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.854 6.014 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.378 4.804 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.375 6.252 9.057 1.00 0.00 H new ATOM 1157 N ASP A 75 10.490 6.257 11.458 1.00 0.00 N ATOM 1158 CA ASP A 75 9.926 7.237 12.430 1.00 0.00 C ATOM 1159 C ASP A 75 9.861 6.605 13.823 1.00 0.00 C ATOM 1160 O ASP A 75 8.819 6.168 14.267 1.00 0.00 O ATOM 1161 CB ASP A 75 8.516 7.637 11.990 1.00 0.00 C ATOM 1162 CG ASP A 75 8.052 8.849 12.799 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.385 9.957 12.412 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.372 8.650 13.792 1.00 0.00 O ATOM 0 H ASP A 75 9.881 6.024 10.674 1.00 0.00 H new ATOM 0 HA ASP A 75 10.565 8.119 12.462 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.509 7.873 10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.828 6.804 12.136 1.00 0.00 H new ATOM 1169 N GLY A 76 10.967 6.557 14.515 1.00 0.00 N ATOM 1170 CA GLY A 76 10.970 5.957 15.879 1.00 0.00 C ATOM 1171 C GLY A 76 10.214 4.628 15.857 1.00 0.00 C ATOM 1172 O GLY A 76 10.280 3.881 14.901 1.00 0.00 O ATOM 0 H GLY A 76 11.869 6.908 14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.995 5.798 16.215 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.504 6.640 16.589 1.00 0.00 H new ATOM 1176 N ALA A 77 9.494 4.328 16.904 1.00 0.00 N ATOM 1177 CA ALA A 77 8.731 3.049 16.943 1.00 0.00 C ATOM 1178 C ALA A 77 7.302 3.296 16.457 1.00 0.00 C ATOM 1179 O ALA A 77 6.377 3.371 17.241 1.00 0.00 O ATOM 1180 CB ALA A 77 8.697 2.522 18.379 1.00 0.00 C ATOM 0 H ALA A 77 9.402 4.914 17.734 1.00 0.00 H new ATOM 0 HA ALA A 77 9.214 2.315 16.297 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.139 1.586 18.410 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.715 2.349 18.727 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.212 3.255 19.024 1.00 0.00 H new ATOM 1186 N MET A 78 7.120 3.424 15.167 1.00 0.00 N ATOM 1187 CA MET A 78 5.755 3.666 14.613 1.00 0.00 C ATOM 1188 C MET A 78 5.505 2.707 13.448 1.00 0.00 C ATOM 1189 O MET A 78 4.986 3.089 12.417 1.00 0.00 O ATOM 1190 CB MET A 78 5.655 5.109 14.115 1.00 0.00 C ATOM 1191 CG MET A 78 4.184 5.513 14.007 1.00 0.00 C ATOM 1192 SD MET A 78 3.994 6.765 12.714 1.00 0.00 S ATOM 1193 CE MET A 78 2.810 7.816 13.590 1.00 0.00 C ATOM 0 H MET A 78 7.863 3.371 14.471 1.00 0.00 H new ATOM 0 HA MET A 78 5.010 3.499 15.391 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.177 5.778 14.799 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.141 5.204 13.144 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.573 4.641 13.776 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.833 5.905 14.962 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.548 8.669 12.964 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.912 7.242 13.816 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.257 8.172 14.519 1.00 0.00 H new ATOM 1203 N SER A 79 5.868 1.464 13.605 1.00 0.00 N ATOM 1204 CA SER A 79 5.649 0.481 12.508 1.00 0.00 C ATOM 1205 C SER A 79 4.158 0.151 12.409 1.00 0.00 C ATOM 1206 O SER A 79 3.778 -0.955 12.077 1.00 0.00 O ATOM 1207 CB SER A 79 6.434 -0.797 12.804 1.00 0.00 C ATOM 1208 OG SER A 79 7.514 -0.493 13.676 1.00 0.00 O ATOM 0 H SER A 79 6.307 1.087 14.445 1.00 0.00 H new ATOM 0 HA SER A 79 5.991 0.908 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.781 -1.541 13.261 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.811 -1.229 11.877 1.00 0.00 H new ATOM 0 HG SER A 79 8.018 -1.311 13.869 1.00 0.00 H new ATOM 1214 N ALA A 80 3.309 1.102 12.688 1.00 0.00 N ATOM 1215 CA ALA A 80 1.845 0.842 12.606 1.00 0.00 C ATOM 1216 C ALA A 80 1.355 1.164 11.195 1.00 0.00 C ATOM 1217 O ALA A 80 0.645 0.387 10.592 1.00 0.00 O ATOM 1218 CB ALA A 80 1.110 1.726 13.616 1.00 0.00 C ATOM 0 H ALA A 80 3.567 2.048 12.969 1.00 0.00 H new ATOM 0 HA ALA A 80 1.647 -0.206 12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.039 1.535 13.555 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.462 1.499 14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.305 2.775 13.391 1.00 0.00 H new ATOM 1224 N LEU A 81 1.745 2.307 10.681 1.00 0.00 N ATOM 1225 CA LEU A 81 1.334 2.735 9.303 1.00 0.00 C ATOM 1226 C LEU A 81 1.190 1.502 8.379 1.00 0.00 C ATOM 1227 O LEU A 81 2.180 1.013 7.870 1.00 0.00 O ATOM 1228 CB LEU A 81 2.426 3.657 8.739 1.00 0.00 C ATOM 1229 CG LEU A 81 1.892 5.085 8.556 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.827 5.099 7.459 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.283 5.599 9.867 1.00 0.00 C ATOM 0 H LEU A 81 2.343 2.975 11.168 1.00 0.00 H new ATOM 0 HA LEU A 81 0.376 3.253 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.283 3.668 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.777 3.270 7.783 1.00 0.00 H new ATOM 0 HG LEU A 81 2.719 5.735 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.450 6.114 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.265 4.754 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.006 4.439 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.909 6.612 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.461 4.948 10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.046 5.602 10.646 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.026 1.008 8.191 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.252 -0.179 7.342 1.00 0.00 C ATOM 1245 C PRO A 82 0.104 0.078 5.878 1.00 0.00 C ATOM 1246 O PRO A 82 -0.210 1.110 5.308 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.749 -0.479 7.462 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.363 0.562 8.426 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.259 1.563 8.793 1.00 0.00 C ATOM 0 HA PRO A 82 0.379 -1.006 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.229 -0.425 6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.907 -1.489 7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.202 1.073 7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.750 0.074 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.479 2.555 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.160 1.664 9.874 1.00 0.00 H new ATOM 1257 N VAL A 83 0.726 -0.889 5.262 1.00 0.00 N ATOM 1258 CA VAL A 83 1.085 -0.777 3.826 1.00 0.00 C ATOM 1259 C VAL A 83 0.634 -2.034 3.128 1.00 0.00 C ATOM 1260 O VAL A 83 1.019 -3.123 3.504 1.00 0.00 O ATOM 1261 CB VAL A 83 2.596 -0.686 3.636 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.939 -1.101 2.192 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.070 0.744 3.879 1.00 0.00 C ATOM 0 H VAL A 83 1.004 -1.766 5.703 1.00 0.00 H new ATOM 0 HA VAL A 83 0.611 0.119 3.426 1.00 0.00 H new ATOM 0 HB VAL A 83 3.093 -1.347 4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.017 -1.040 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.605 -2.124 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.437 -0.432 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.150 0.798 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.580 1.415 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.819 1.042 4.897 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.138 -1.894 2.098 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.568 -3.092 1.353 1.00 0.00 C ATOM 1275 C LEU A 84 0.171 -3.124 0.029 1.00 0.00 C ATOM 1276 O LEU A 84 -0.390 -2.880 -1.021 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.073 -3.054 1.121 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.525 -4.362 0.468 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.311 -5.542 1.423 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.004 -4.259 0.127 1.00 0.00 C ATOM 0 H LEU A 84 -0.488 -1.005 1.742 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.338 -3.990 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.594 -2.910 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.332 -2.209 0.483 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.937 -4.529 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.638 -6.464 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.253 -5.619 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.889 -5.383 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.335 -5.187 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.576 -4.086 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.161 -3.430 -0.563 1.00 0.00 H new ATOM 1292 N MET A 85 1.437 -3.419 0.072 1.00 0.00 N ATOM 1293 CA MET A 85 2.215 -3.462 -1.184 1.00 0.00 C ATOM 1294 C MET A 85 1.482 -4.354 -2.174 1.00 0.00 C ATOM 1295 O MET A 85 0.759 -5.251 -1.786 1.00 0.00 O ATOM 1296 CB MET A 85 3.615 -4.022 -0.917 1.00 0.00 C ATOM 1297 CG MET A 85 4.623 -2.873 -0.853 1.00 0.00 C ATOM 1298 SD MET A 85 6.134 -3.439 -0.030 1.00 0.00 S ATOM 1299 CE MET A 85 6.413 -4.911 -1.046 1.00 0.00 C ATOM 0 H MET A 85 1.962 -3.631 0.921 1.00 0.00 H new ATOM 0 HA MET A 85 2.318 -2.456 -1.591 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.623 -4.579 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.895 -4.721 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.854 -2.521 -1.859 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.195 -2.030 -0.311 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.441 -5.251 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.729 -5.702 -0.737 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.237 -4.668 -2.094 1.00 0.00 H new ATOM 1309 N VAL A 86 1.644 -4.104 -3.445 1.00 0.00 N ATOM 1310 CA VAL A 86 0.934 -4.931 -4.462 1.00 0.00 C ATOM 1311 C VAL A 86 1.917 -5.497 -5.479 1.00 0.00 C ATOM 1312 O VAL A 86 2.700 -4.784 -6.073 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.090 -4.063 -5.185 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.998 -4.954 -6.020 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.934 -3.307 -4.156 1.00 0.00 C ATOM 0 H VAL A 86 2.236 -3.364 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 86 0.439 -5.760 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 86 0.424 -3.350 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.733 -4.339 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.401 -5.500 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.512 -5.661 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.666 -2.686 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.451 -4.021 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.287 -2.675 -3.548 1.00 0.00 H new ATOM 1325 N THR A 87 1.865 -6.782 -5.698 1.00 0.00 N ATOM 1326 CA THR A 87 2.783 -7.398 -6.700 1.00 0.00 C ATOM 1327 C THR A 87 2.094 -8.619 -7.309 1.00 0.00 C ATOM 1328 O THR A 87 1.006 -8.983 -6.912 1.00 0.00 O ATOM 1329 CB THR A 87 4.101 -7.797 -6.022 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.174 -7.574 -6.926 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.079 -9.273 -5.620 1.00 0.00 C ATOM 0 H THR A 87 1.231 -7.430 -5.230 1.00 0.00 H new ATOM 0 HA THR A 87 3.012 -6.684 -7.491 1.00 0.00 H new ATOM 0 HB THR A 87 4.231 -7.193 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.820 -8.308 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.023 -9.534 -5.141 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.259 -9.448 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.940 -9.890 -6.508 1.00 0.00 H new ATOM 1339 N ALA A 88 2.712 -9.266 -8.254 1.00 0.00 N ATOM 1340 CA ALA A 88 2.077 -10.470 -8.855 1.00 0.00 C ATOM 1341 C ALA A 88 2.498 -11.705 -8.052 1.00 0.00 C ATOM 1342 O ALA A 88 2.300 -11.773 -6.854 1.00 0.00 O ATOM 1343 CB ALA A 88 2.533 -10.622 -10.308 1.00 0.00 C ATOM 0 H ALA A 88 3.624 -9.016 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 88 0.992 -10.366 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.066 -11.505 -10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.241 -9.738 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.617 -10.732 -10.340 1.00 0.00 H new ATOM 1349 N GLU A 89 3.082 -12.679 -8.694 1.00 0.00 N ATOM 1350 CA GLU A 89 3.516 -13.899 -7.957 1.00 0.00 C ATOM 1351 C GLU A 89 4.281 -13.484 -6.697 1.00 0.00 C ATOM 1352 O GLU A 89 5.146 -12.631 -6.739 1.00 0.00 O ATOM 1353 CB GLU A 89 4.428 -14.740 -8.854 1.00 0.00 C ATOM 1354 CG GLU A 89 3.580 -15.483 -9.888 1.00 0.00 C ATOM 1355 CD GLU A 89 4.474 -15.960 -11.035 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.226 -15.149 -11.550 1.00 0.00 O ATOM 1357 OE2 GLU A 89 4.391 -17.127 -11.378 1.00 0.00 O ATOM 0 H GLU A 89 3.277 -12.683 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 89 2.642 -14.487 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.154 -14.100 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.993 -15.452 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.083 -16.334 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.798 -14.828 -10.271 1.00 0.00 H new ATOM 1364 N ALA A 90 3.969 -14.076 -5.575 1.00 0.00 N ATOM 1365 CA ALA A 90 4.678 -13.707 -4.316 1.00 0.00 C ATOM 1366 C ALA A 90 5.864 -14.647 -4.098 1.00 0.00 C ATOM 1367 O ALA A 90 5.699 -15.812 -3.798 1.00 0.00 O ATOM 1368 CB ALA A 90 3.714 -13.822 -3.131 1.00 0.00 C ATOM 0 H ALA A 90 3.255 -14.798 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 90 5.038 -12.681 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.234 -13.552 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.870 -13.149 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.351 -14.847 -3.055 1.00 0.00 H new ATOM 1374 N LYS A 91 7.062 -14.148 -4.238 1.00 0.00 N ATOM 1375 CA LYS A 91 8.257 -15.012 -4.029 1.00 0.00 C ATOM 1376 C LYS A 91 8.417 -15.282 -2.530 1.00 0.00 C ATOM 1377 O LYS A 91 7.552 -14.962 -1.739 1.00 0.00 O ATOM 1378 CB LYS A 91 9.505 -14.300 -4.567 1.00 0.00 C ATOM 1379 CG LYS A 91 9.976 -14.966 -5.865 1.00 0.00 C ATOM 1380 CD LYS A 91 8.925 -14.770 -6.964 1.00 0.00 C ATOM 1381 CE LYS A 91 9.572 -14.992 -8.332 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.519 -14.974 -9.388 1.00 0.00 N ATOM 0 H LYS A 91 7.264 -13.180 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 91 8.131 -15.956 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.283 -13.249 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.301 -14.333 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.928 -14.537 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.145 -16.030 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.100 -15.468 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.506 -13.765 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.311 -14.215 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.100 -15.945 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.958 -15.125 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.830 -15.730 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.034 -14.054 -9.379 1.00 0.00 H new ATOM 1396 N LYS A 92 9.511 -15.874 -2.133 1.00 0.00 N ATOM 1397 CA LYS A 92 9.715 -16.169 -0.685 1.00 0.00 C ATOM 1398 C LYS A 92 10.512 -15.038 -0.030 1.00 0.00 C ATOM 1399 O LYS A 92 9.956 -14.128 0.552 1.00 0.00 O ATOM 1400 CB LYS A 92 10.483 -17.483 -0.537 1.00 0.00 C ATOM 1401 CG LYS A 92 9.555 -18.656 -0.860 1.00 0.00 C ATOM 1402 CD LYS A 92 10.385 -19.925 -1.059 1.00 0.00 C ATOM 1403 CE LYS A 92 9.452 -21.104 -1.341 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.990 -21.045 -2.756 1.00 0.00 N ATOM 0 H LYS A 92 10.271 -16.166 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 92 8.744 -16.254 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.343 -17.491 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.868 -17.579 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.839 -18.800 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.979 -18.441 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.081 -19.791 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.983 -20.125 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.971 -22.044 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.596 -21.074 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.439 -21.899 -2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.394 -20.204 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.814 -20.991 -3.388 1.00 0.00 H new ATOM 1418 N GLU A 93 11.814 -15.095 -0.114 1.00 0.00 N ATOM 1419 CA GLU A 93 12.656 -14.038 0.508 1.00 0.00 C ATOM 1420 C GLU A 93 12.155 -12.647 0.100 1.00 0.00 C ATOM 1421 O GLU A 93 12.614 -11.643 0.605 1.00 0.00 O ATOM 1422 CB GLU A 93 14.105 -14.210 0.047 1.00 0.00 C ATOM 1423 CG GLU A 93 14.316 -15.642 -0.453 1.00 0.00 C ATOM 1424 CD GLU A 93 15.815 -15.932 -0.556 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.384 -16.366 0.433 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.368 -15.715 -1.621 1.00 0.00 O ATOM 0 H GLU A 93 12.332 -15.834 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 93 12.596 -14.130 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.332 -13.499 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.787 -13.997 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.844 -16.350 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.842 -15.772 -1.426 1.00 0.00 H new ATOM 1433 N ASN A 94 11.224 -12.577 -0.813 1.00 0.00 N ATOM 1434 CA ASN A 94 10.710 -11.249 -1.251 1.00 0.00 C ATOM 1435 C ASN A 94 9.751 -10.683 -0.200 1.00 0.00 C ATOM 1436 O ASN A 94 9.895 -9.564 0.248 1.00 0.00 O ATOM 1437 CB ASN A 94 9.970 -11.408 -2.579 1.00 0.00 C ATOM 1438 CG ASN A 94 10.963 -11.286 -3.736 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.196 -11.678 -3.566 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 10.613 -10.827 -4.806 1.00 0.00 N flip ATOM 0 H ASN A 94 10.798 -13.381 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 94 11.549 -10.563 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.471 -12.376 -2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.195 -10.646 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.649 -10.521 -4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.283 -10.748 -5.571 1.00 0.00 H new ATOM 1447 N ILE A 95 8.771 -11.446 0.188 1.00 0.00 N ATOM 1448 CA ILE A 95 7.794 -10.950 1.202 1.00 0.00 C ATOM 1449 C ILE A 95 8.485 -10.816 2.561 1.00 0.00 C ATOM 1450 O ILE A 95 8.102 -10.011 3.387 1.00 0.00 O ATOM 1451 CB ILE A 95 6.625 -11.933 1.328 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.235 -12.472 -0.052 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.420 -11.215 1.937 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.047 -13.425 0.094 1.00 0.00 C ATOM 0 H ILE A 95 8.601 -12.393 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 95 7.418 -9.978 0.883 1.00 0.00 H new ATOM 0 HB ILE A 95 6.931 -12.762 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.975 -11.648 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.080 -12.992 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.588 -11.913 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.683 -10.835 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.129 -10.384 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.767 -13.810 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.324 -14.255 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.202 -12.890 0.528 1.00 0.00 H new ATOM 1466 N ILE A 96 9.495 -11.604 2.805 1.00 0.00 N ATOM 1467 CA ILE A 96 10.203 -11.527 4.115 1.00 0.00 C ATOM 1468 C ILE A 96 10.882 -10.167 4.262 1.00 0.00 C ATOM 1469 O ILE A 96 10.550 -9.389 5.136 1.00 0.00 O ATOM 1470 CB ILE A 96 11.254 -12.635 4.190 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.590 -13.984 3.900 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.872 -12.662 5.589 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.642 -15.094 3.930 1.00 0.00 C ATOM 0 H ILE A 96 9.861 -12.299 2.154 1.00 0.00 H new ATOM 0 HA ILE A 96 9.480 -11.653 4.921 1.00 0.00 H new ATOM 0 HB ILE A 96 12.035 -12.446 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.814 -14.185 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.102 -13.958 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.621 -13.452 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.343 -11.701 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.093 -12.852 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.166 -16.052 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 96 12.402 -14.896 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.109 -15.126 4.914 1.00 0.00 H new ATOM 1485 N ALA A 97 11.835 -9.879 3.422 1.00 0.00 N ATOM 1486 CA ALA A 97 12.548 -8.571 3.512 1.00 0.00 C ATOM 1487 C ALA A 97 11.535 -7.446 3.711 1.00 0.00 C ATOM 1488 O ALA A 97 11.603 -6.697 4.665 1.00 0.00 O ATOM 1489 CB ALA A 97 13.335 -8.326 2.224 1.00 0.00 C ATOM 0 H ALA A 97 12.154 -10.494 2.673 1.00 0.00 H new ATOM 0 HA ALA A 97 13.235 -8.594 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.855 -7.370 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.062 -9.126 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.649 -8.307 1.377 1.00 0.00 H new ATOM 1495 N ALA A 98 10.601 -7.319 2.816 1.00 0.00 N ATOM 1496 CA ALA A 98 9.587 -6.240 2.952 1.00 0.00 C ATOM 1497 C ALA A 98 8.812 -6.411 4.261 1.00 0.00 C ATOM 1498 O ALA A 98 8.565 -5.457 4.971 1.00 0.00 O ATOM 1499 CB ALA A 98 8.622 -6.296 1.766 1.00 0.00 C ATOM 0 H ALA A 98 10.495 -7.915 1.995 1.00 0.00 H new ATOM 0 HA ALA A 98 10.090 -5.273 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.878 -5.505 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.177 -6.158 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.122 -7.264 1.749 1.00 0.00 H new ATOM 1505 N ALA A 99 8.419 -7.611 4.587 1.00 0.00 N ATOM 1506 CA ALA A 99 7.655 -7.822 5.846 1.00 0.00 C ATOM 1507 C ALA A 99 8.438 -7.251 7.030 1.00 0.00 C ATOM 1508 O ALA A 99 7.887 -6.591 7.890 1.00 0.00 O ATOM 1509 CB ALA A 99 7.424 -9.318 6.062 1.00 0.00 C ATOM 0 H ALA A 99 8.594 -8.452 4.037 1.00 0.00 H new ATOM 0 HA ALA A 99 6.694 -7.313 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.864 -9.470 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.858 -9.724 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.385 -9.828 6.132 1.00 0.00 H new ATOM 1515 N GLN A 100 9.717 -7.502 7.088 1.00 0.00 N ATOM 1516 CA GLN A 100 10.528 -6.977 8.222 1.00 0.00 C ATOM 1517 C GLN A 100 10.468 -5.447 8.239 1.00 0.00 C ATOM 1518 O GLN A 100 10.747 -4.817 9.240 1.00 0.00 O ATOM 1519 CB GLN A 100 11.982 -7.426 8.055 1.00 0.00 C ATOM 1520 CG GLN A 100 12.500 -7.990 9.381 1.00 0.00 C ATOM 1521 CD GLN A 100 11.825 -9.334 9.666 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.946 -9.420 10.499 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.204 -10.394 9.006 1.00 0.00 N ATOM 0 H GLN A 100 10.235 -8.048 6.399 1.00 0.00 H new ATOM 0 HA GLN A 100 10.128 -7.363 9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.052 -8.183 7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.599 -6.585 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.582 -8.117 9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.295 -7.290 10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.942 -10.322 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.762 -11.295 9.190 1.00 0.00 H new ATOM 1532 N ALA A 101 10.117 -4.842 7.138 1.00 0.00 N ATOM 1533 CA ALA A 101 10.053 -3.351 7.093 1.00 0.00 C ATOM 1534 C ALA A 101 8.656 -2.865 7.510 1.00 0.00 C ATOM 1535 O ALA A 101 8.320 -2.856 8.677 1.00 0.00 O ATOM 1536 CB ALA A 101 10.363 -2.879 5.671 1.00 0.00 C ATOM 0 H ALA A 101 9.872 -5.314 6.267 1.00 0.00 H new ATOM 0 HA ALA A 101 10.786 -2.938 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.318 -1.791 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.361 -3.212 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.631 -3.298 4.981 1.00 0.00 H new ATOM 1542 N GLY A 102 7.848 -2.458 6.560 1.00 0.00 N ATOM 1543 CA GLY A 102 6.478 -1.966 6.878 1.00 0.00 C ATOM 1544 C GLY A 102 5.474 -2.617 5.922 1.00 0.00 C ATOM 1545 O GLY A 102 4.288 -2.383 5.991 1.00 0.00 O ATOM 0 H GLY A 102 8.086 -2.447 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.223 -2.206 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.437 -0.881 6.783 1.00 0.00 H new ATOM 1549 N ALA A 103 5.966 -3.453 5.055 1.00 0.00 N ATOM 1550 CA ALA A 103 5.117 -4.190 4.066 1.00 0.00 C ATOM 1551 C ALA A 103 4.012 -4.992 4.771 1.00 0.00 C ATOM 1552 O ALA A 103 3.405 -5.857 4.172 1.00 0.00 O ATOM 1553 CB ALA A 103 5.997 -5.131 3.250 1.00 0.00 C ATOM 0 H ALA A 103 6.961 -3.667 4.985 1.00 0.00 H new ATOM 0 HA ALA A 103 4.639 -3.463 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.383 -5.670 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.755 -4.553 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.483 -5.844 3.916 1.00 0.00 H new ATOM 1559 N SER A 104 3.809 -4.756 6.044 1.00 0.00 N ATOM 1560 CA SER A 104 2.801 -5.536 6.849 1.00 0.00 C ATOM 1561 C SER A 104 1.642 -6.029 5.983 1.00 0.00 C ATOM 1562 O SER A 104 1.126 -7.107 6.204 1.00 0.00 O ATOM 1563 CB SER A 104 2.216 -4.626 7.935 1.00 0.00 C ATOM 1564 OG SER A 104 3.173 -4.456 8.973 1.00 0.00 O ATOM 0 H SER A 104 4.307 -4.042 6.575 1.00 0.00 H new ATOM 0 HA SER A 104 3.315 -6.397 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.949 -3.659 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.301 -5.062 8.336 1.00 0.00 H new ATOM 0 HG SER A 104 2.802 -3.873 9.668 1.00 0.00 H new ATOM 1570 N GLY A 105 1.237 -5.276 5.002 1.00 0.00 N ATOM 1571 CA GLY A 105 0.121 -5.736 4.129 1.00 0.00 C ATOM 1572 C GLY A 105 0.688 -6.186 2.782 1.00 0.00 C ATOM 1573 O GLY A 105 1.461 -5.482 2.160 1.00 0.00 O ATOM 0 H GLY A 105 1.628 -4.364 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.414 -6.558 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.598 -4.930 3.983 1.00 0.00 H new ATOM 1577 N TYR A 106 0.311 -7.353 2.327 1.00 0.00 N ATOM 1578 CA TYR A 106 0.822 -7.851 1.015 1.00 0.00 C ATOM 1579 C TYR A 106 -0.323 -8.467 0.225 1.00 0.00 C ATOM 1580 O TYR A 106 -0.849 -9.501 0.588 1.00 0.00 O ATOM 1581 CB TYR A 106 1.892 -8.923 1.233 1.00 0.00 C ATOM 1582 CG TYR A 106 2.234 -9.568 -0.096 1.00 0.00 C ATOM 1583 CD1 TYR A 106 3.252 -9.027 -0.893 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.544 -10.712 -0.533 1.00 0.00 C ATOM 1585 CE1 TYR A 106 3.579 -9.621 -2.111 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.874 -11.302 -1.756 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.891 -10.758 -2.544 1.00 0.00 C ATOM 1588 OH TYR A 106 3.217 -11.344 -3.747 1.00 0.00 O ATOM 0 H TYR A 106 -0.330 -7.984 2.808 1.00 0.00 H new ATOM 0 HA TYR A 106 1.252 -7.011 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.784 -8.478 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.531 -9.676 1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.785 -8.147 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.759 -11.135 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.365 -9.202 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.342 -12.180 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 106 2.434 -11.339 -4.336 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.697 -7.848 -0.859 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.792 -8.396 -1.702 1.00 0.00 C ATOM 1600 C VAL A 107 -1.210 -8.779 -3.057 1.00 0.00 C ATOM 1601 O VAL A 107 -0.529 -7.996 -3.704 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.885 -7.344 -1.894 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.370 -6.232 -2.803 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.104 -8.004 -2.542 1.00 0.00 C ATOM 0 H VAL A 107 -0.287 -6.978 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.230 -9.268 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.161 -6.922 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.150 -5.483 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.495 -5.767 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.096 -6.651 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.889 -7.260 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.821 -8.420 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.472 -8.802 -1.897 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.465 -9.976 -3.497 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.927 -10.400 -4.810 1.00 0.00 C ATOM 1616 C VAL A 108 -1.971 -10.073 -5.892 1.00 0.00 C ATOM 1617 O VAL A 108 -2.962 -10.761 -6.035 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.650 -11.909 -4.796 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.874 -12.663 -4.266 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.340 -12.384 -6.219 1.00 0.00 C ATOM 0 H VAL A 108 -2.021 -10.675 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 108 0.005 -9.875 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 108 0.202 -12.108 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.668 -13.733 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.095 -12.330 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.731 -12.463 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.143 -13.456 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.193 -12.177 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.537 -11.857 -6.596 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.765 -9.025 -6.643 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.757 -8.652 -7.701 1.00 0.00 C ATOM 1632 C LYS A 109 -2.769 -9.740 -8.788 1.00 0.00 C ATOM 1633 O LYS A 109 -1.771 -10.408 -8.972 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.326 -7.313 -8.315 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.939 -7.461 -8.944 1.00 0.00 C ATOM 1636 CD LYS A 109 -1.066 -7.449 -10.471 1.00 0.00 C ATOM 1637 CE LYS A 109 0.243 -7.932 -11.098 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.385 -7.349 -12.461 1.00 0.00 N ATOM 0 H LYS A 109 -0.955 -8.410 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.756 -8.562 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.047 -6.998 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.308 -6.538 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.291 -6.648 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.476 -8.391 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.889 -8.092 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.298 -6.442 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.088 -7.637 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.252 -9.021 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.275 -7.677 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.415 -7.651 -13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.394 -6.311 -12.395 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.867 -9.886 -9.514 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.124 -9.104 -9.345 1.00 0.00 C ATOM 1654 C PRO A 110 -5.910 -9.569 -8.113 1.00 0.00 C ATOM 1655 O PRO A 110 -5.756 -10.684 -7.652 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.950 -9.436 -10.597 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.138 -10.444 -11.447 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.905 -10.846 -10.628 1.00 0.00 C ATOM 0 HA PRO A 110 -4.914 -8.042 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.914 -9.862 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.155 -8.532 -11.170 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.742 -11.319 -11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.840 -9.995 -12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.988 -11.871 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.997 -10.793 -11.228 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.779 -8.728 -7.603 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.614 -9.123 -6.431 1.00 0.00 C ATOM 1668 C PHE A 111 -9.045 -8.675 -6.664 1.00 0.00 C ATOM 1669 O PHE A 111 -9.312 -7.725 -7.372 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.109 -8.480 -5.127 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.802 -7.013 -5.327 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.836 -6.080 -5.519 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.475 -6.584 -5.333 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.523 -4.734 -5.723 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -5.173 -5.236 -5.527 1.00 0.00 C ATOM 1676 CZ PHE A 111 -6.193 -4.315 -5.726 1.00 0.00 C ATOM 0 H PHE A 111 -6.944 -7.784 -7.951 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.553 -10.207 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.861 -8.594 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.213 -8.999 -4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.867 -6.402 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.678 -7.298 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -8.314 -4.015 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.144 -4.908 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.956 -3.273 -5.883 1.00 0.00 H new ATOM 1686 N THR A 112 -9.963 -9.340 -6.044 1.00 0.00 N ATOM 1687 CA THR A 112 -11.390 -8.951 -6.181 1.00 0.00 C ATOM 1688 C THR A 112 -11.722 -7.990 -5.039 1.00 0.00 C ATOM 1689 O THR A 112 -11.185 -8.109 -3.956 1.00 0.00 O ATOM 1690 CB THR A 112 -12.279 -10.193 -6.084 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.509 -11.350 -6.381 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.433 -10.076 -7.080 1.00 0.00 C ATOM 0 H THR A 112 -9.790 -10.145 -5.441 1.00 0.00 H new ATOM 0 HA THR A 112 -11.564 -8.475 -7.146 1.00 0.00 H new ATOM 0 HB THR A 112 -12.681 -10.274 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.286 -11.817 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.065 -10.961 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 112 -14.023 -9.189 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 112 -13.034 -9.994 -8.091 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.584 -7.035 -5.260 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.917 -6.083 -4.162 1.00 0.00 C ATOM 1702 C ALA A 113 -13.204 -6.879 -2.896 1.00 0.00 C ATOM 1703 O ALA A 113 -12.780 -6.519 -1.815 1.00 0.00 O ATOM 1704 CB ALA A 113 -14.142 -5.251 -4.543 1.00 0.00 C ATOM 0 H ALA A 113 -13.068 -6.873 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 113 -12.078 -5.408 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.377 -4.559 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.931 -4.689 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.992 -5.912 -4.714 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.891 -7.980 -3.017 1.00 0.00 N ATOM 1711 CA ALA A 114 -14.154 -8.801 -1.813 1.00 0.00 C ATOM 1712 C ALA A 114 -12.820 -9.374 -1.354 1.00 0.00 C ATOM 1713 O ALA A 114 -12.562 -9.514 -0.175 1.00 0.00 O ATOM 1714 CB ALA A 114 -15.126 -9.932 -2.149 1.00 0.00 C ATOM 0 H ALA A 114 -14.277 -8.341 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.604 -8.196 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.312 -10.529 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -16.066 -9.510 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.694 -10.564 -2.925 1.00 0.00 H new ATOM 1720 N THR A 115 -11.949 -9.675 -2.281 1.00 0.00 N ATOM 1721 CA THR A 115 -10.616 -10.196 -1.892 1.00 0.00 C ATOM 1722 C THR A 115 -9.863 -9.053 -1.212 1.00 0.00 C ATOM 1723 O THR A 115 -9.618 -9.115 -0.024 1.00 0.00 O ATOM 1724 CB THR A 115 -9.860 -10.677 -3.126 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.684 -11.564 -3.869 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.580 -11.400 -2.702 1.00 0.00 C ATOM 0 H THR A 115 -12.106 -9.582 -3.284 1.00 0.00 H new ATOM 0 HA THR A 115 -10.713 -11.044 -1.214 1.00 0.00 H new ATOM 0 HB THR A 115 -9.597 -9.819 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 115 -10.123 -12.215 -4.339 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.044 -11.741 -3.588 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.947 -10.717 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.836 -12.258 -2.080 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.507 -7.997 -1.935 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.804 -6.862 -1.270 1.00 0.00 C ATOM 1736 C LEU A 116 -9.461 -6.612 0.096 1.00 0.00 C ATOM 1737 O LEU A 116 -8.796 -6.462 1.102 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.967 -5.581 -2.111 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.632 -4.805 -2.271 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -7.887 -3.338 -2.660 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.839 -4.787 -0.970 1.00 0.00 C ATOM 0 H LEU A 116 -9.675 -7.886 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.747 -7.107 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.352 -5.843 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.707 -4.933 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.072 -5.321 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.934 -2.819 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.427 -3.301 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.480 -2.854 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.910 -4.236 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.428 -4.303 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.610 -5.809 -0.669 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.770 -6.562 0.131 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.475 -6.315 1.419 1.00 0.00 C ATOM 1755 C GLU A 117 -11.084 -7.377 2.451 1.00 0.00 C ATOM 1756 O GLU A 117 -10.650 -7.065 3.546 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.988 -6.365 1.188 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.713 -5.914 2.457 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.742 -6.971 2.863 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.621 -7.253 2.064 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.635 -7.480 3.966 1.00 0.00 O ATOM 0 H GLU A 117 -11.378 -6.682 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.190 -5.333 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.260 -5.721 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.293 -7.377 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.996 -5.762 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.207 -4.958 2.285 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.249 -8.626 2.118 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.904 -9.711 3.082 1.00 0.00 C ATOM 1770 C GLU A 118 -9.518 -9.455 3.680 1.00 0.00 C ATOM 1771 O GLU A 118 -9.241 -9.826 4.803 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.942 -11.072 2.363 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.527 -11.550 2.009 1.00 0.00 C ATOM 1774 CD GLU A 118 -9.625 -12.747 1.060 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.341 -13.678 1.388 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -8.983 -12.711 0.024 1.00 0.00 O ATOM 0 H GLU A 118 -11.609 -8.945 1.218 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.633 -9.723 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.430 -11.810 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.539 -10.990 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.964 -10.743 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.988 -11.831 2.914 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.646 -8.826 2.943 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.284 -8.555 3.480 1.00 0.00 C ATOM 1785 C LYS A 119 -7.367 -7.462 4.547 1.00 0.00 C ATOM 1786 O LYS A 119 -6.844 -7.602 5.634 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.369 -8.092 2.343 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.003 -8.775 2.472 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.134 -10.271 2.166 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.282 -10.623 0.946 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.332 -12.093 0.714 1.00 0.00 N ATOM 0 H LYS A 119 -8.817 -8.489 1.996 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.879 -9.465 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.818 -8.334 1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.250 -7.009 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.291 -8.316 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.611 -8.634 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.814 -10.858 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.178 -10.524 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.649 -10.093 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.252 -10.304 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.753 -12.333 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.962 -12.589 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.316 -12.385 0.545 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.024 -6.375 4.247 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.141 -5.274 5.246 1.00 0.00 C ATOM 1807 C LEU A 120 -8.575 -5.844 6.597 1.00 0.00 C ATOM 1808 O LEU A 120 -7.930 -5.626 7.603 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.196 -4.255 4.782 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.841 -3.627 3.418 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.620 -2.319 3.264 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.342 -3.311 3.310 1.00 0.00 C ATOM 0 H LEU A 120 -8.485 -6.201 3.354 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.171 -4.786 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.167 -4.746 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.290 -3.467 5.529 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.100 -4.342 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.379 -1.863 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.689 -2.525 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.347 -1.636 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.132 -2.870 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.061 -2.608 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.767 -4.230 3.424 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.664 -6.559 6.636 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.130 -7.120 7.936 1.00 0.00 C ATOM 1826 C ASN A 121 -8.958 -7.787 8.659 1.00 0.00 C ATOM 1827 O ASN A 121 -8.950 -7.901 9.869 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.235 -8.148 7.685 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.596 -7.522 7.995 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.428 -7.384 7.120 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.860 -7.135 9.213 1.00 0.00 N ATOM 0 H ASN A 121 -10.249 -6.779 5.830 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.522 -6.315 8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.205 -8.484 6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.077 -9.027 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.765 -6.717 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.162 -7.251 9.948 1.00 0.00 H new ATOM 1838 N LYS A 122 -7.967 -8.221 7.933 1.00 0.00 N ATOM 1839 CA LYS A 122 -6.799 -8.870 8.590 1.00 0.00 C ATOM 1840 C LYS A 122 -5.793 -7.791 8.998 1.00 0.00 C ATOM 1841 O LYS A 122 -5.034 -7.955 9.932 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.135 -9.844 7.610 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.910 -11.201 8.286 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.233 -11.970 8.348 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.241 -12.888 9.572 1.00 0.00 C ATOM 1846 NZ LYS A 122 -8.114 -14.066 9.302 1.00 0.00 N ATOM 0 H LYS A 122 -7.915 -8.155 6.916 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.131 -9.418 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.763 -9.968 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.183 -9.437 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.169 -11.776 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.514 -11.057 9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.068 -11.272 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.365 -12.558 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.227 -13.217 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.604 -12.345 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.120 -14.691 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.082 -13.742 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.749 -14.587 8.480 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.786 -6.688 8.300 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.834 -5.592 8.637 1.00 0.00 C ATOM 1862 C ILE A 123 -5.380 -4.758 9.795 1.00 0.00 C ATOM 1863 O ILE A 123 -4.631 -4.243 10.602 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.663 -4.666 7.429 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.235 -5.469 6.192 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.612 -3.599 7.747 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.991 -6.306 6.500 1.00 0.00 C ATOM 0 H ILE A 123 -6.401 -6.498 7.508 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.880 -6.040 8.914 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.617 -4.185 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -5.049 -6.120 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.028 -4.790 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.491 -2.940 6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.935 -3.015 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.661 -4.081 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.702 -6.868 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.174 -5.648 6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.210 -6.998 7.313 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.671 -4.588 9.870 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.231 -3.752 10.957 1.00 0.00 C ATOM 1881 C PHE A 124 -7.458 -4.582 12.214 1.00 0.00 C ATOM 1882 O PHE A 124 -7.720 -4.052 13.276 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.519 -3.111 10.464 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.131 -2.102 9.418 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.633 -0.853 9.806 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.236 -2.424 8.064 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.246 0.076 8.836 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.845 -1.495 7.097 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.354 -0.251 7.478 1.00 0.00 C ATOM 0 H PHE A 124 -7.354 -4.990 9.229 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.525 -2.966 11.223 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.189 -3.862 10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.051 -2.631 11.286 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.548 -0.607 10.854 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.618 -3.389 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.865 1.042 9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.924 -1.744 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.055 0.464 6.726 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.313 -5.873 12.128 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.470 -6.694 13.353 1.00 0.00 C ATOM 1901 C GLU A 125 -6.203 -6.498 14.176 1.00 0.00 C ATOM 1902 O GLU A 125 -6.159 -6.752 15.363 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.642 -8.169 12.985 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.026 -8.647 13.431 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.283 -10.053 12.888 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.453 -10.917 13.118 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.307 -10.243 12.252 1.00 0.00 O ATOM 0 H GLU A 125 -7.096 -6.388 11.275 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.353 -6.392 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.529 -8.302 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.867 -8.767 13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.088 -8.650 14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.792 -7.961 13.070 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.176 -6.008 13.533 1.00 0.00 N ATOM 1915 CA LYS A 126 -3.896 -5.736 14.232 1.00 0.00 C ATOM 1916 C LYS A 126 -3.830 -4.233 14.503 1.00 0.00 C ATOM 1917 O LYS A 126 -3.262 -3.786 15.480 1.00 0.00 O ATOM 1918 CB LYS A 126 -2.726 -6.157 13.338 1.00 0.00 C ATOM 1919 CG LYS A 126 -1.404 -5.917 14.070 1.00 0.00 C ATOM 1920 CD LYS A 126 -0.307 -6.775 13.434 1.00 0.00 C ATOM 1921 CE LYS A 126 1.007 -5.991 13.410 1.00 0.00 C ATOM 1922 NZ LYS A 126 2.079 -6.840 12.819 1.00 0.00 N ATOM 0 H LYS A 126 -5.175 -5.783 12.538 1.00 0.00 H new ATOM 0 HA LYS A 126 -3.837 -6.295 15.166 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.820 -7.210 13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.745 -5.590 12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -1.133 -4.863 14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -1.510 -6.166 15.126 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.181 -7.699 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.593 -7.057 12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.888 -5.078 12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.282 -5.690 14.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 2.973 -6.309 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 2.198 -7.699 13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.816 -7.106 11.849 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.437 -3.451 13.646 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.446 -1.976 13.849 1.00 0.00 C ATOM 1938 C LEU A 127 -5.476 -1.648 14.934 1.00 0.00 C ATOM 1939 O LEU A 127 -5.336 -0.696 15.674 1.00 0.00 O ATOM 1940 CB LEU A 127 -4.829 -1.274 12.534 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.113 0.077 12.429 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.582 0.801 11.166 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.440 0.942 13.648 1.00 0.00 C ATOM 0 H LEU A 127 -4.928 -3.775 12.812 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.458 -1.630 14.154 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.561 -1.903 11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.908 -1.126 12.493 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.037 -0.094 12.386 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.075 1.763 11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.347 0.195 10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.659 0.962 11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.926 1.900 13.563 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.516 1.111 13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.111 0.433 14.554 1.00 0.00 H new ATOM 1955 N GLY A 128 -6.508 -2.445 15.044 1.00 0.00 N ATOM 1956 CA GLY A 128 -7.539 -2.184 16.087 1.00 0.00 C ATOM 1957 C GLY A 128 -8.266 -0.873 15.776 1.00 0.00 C ATOM 1958 O GLY A 128 -8.048 0.136 16.418 1.00 0.00 O ATOM 0 H GLY A 128 -6.679 -3.262 14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.252 -3.007 16.121 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.070 -2.127 17.069 1.00 0.00 H new ATOM 1962 N MET A 129 -9.129 -0.880 14.798 1.00 0.00 N ATOM 1963 CA MET A 129 -9.869 0.365 14.450 1.00 0.00 C ATOM 1964 C MET A 129 -11.188 0.406 15.223 1.00 0.00 C ATOM 1965 O MET A 129 -11.308 1.239 16.107 1.00 0.00 O ATOM 1966 CB MET A 129 -10.156 0.384 12.947 1.00 0.00 C ATOM 1967 CG MET A 129 -9.245 1.406 12.265 1.00 0.00 C ATOM 1968 SD MET A 129 -9.731 3.076 12.768 1.00 0.00 S ATOM 1969 CE MET A 129 -8.744 3.976 11.546 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.056 -0.395 14.920 1.00 0.00 O ATOM 0 H MET A 129 -9.354 -1.694 14.225 1.00 0.00 H new ATOM 0 HA MET A 129 -9.266 1.233 14.715 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.991 -0.606 12.522 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.201 0.637 12.769 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.206 1.221 12.536 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.315 1.306 11.182 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.894 5.048 11.675 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.689 3.738 11.684 1.00 0.00 H new ATOM 0 HE3 MET A 129 -9.054 3.685 10.542 1.00 0.00 H new TER 1980 MET A 129