USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 0.718 (180deg=0.0208) USER MOD Single : A 11 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.1!) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.79 F(o=-3.1!,f=-1.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 33:sc= 0.44 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 20 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.69) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 4:sc= 0.385 USER MOD Single : A 26 THR OG1 : rot -30:sc= 0.601 USER MOD Single : A 27 GLN :FLIP amide:sc= -2.19 F(o=-3.3!,f=-2.2) USER MOD Single : A 30 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 96:sc= 0.745 USER MOD Single : A 38 SER OG : rot 120:sc= 1.21 USER MOD Single : A 39 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.7!) USER MOD Single : A 42 ASN : amide:sc= -0.0239 X(o=-0.024,f=-0.18) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -51:sc= 0.874 USER MOD Single : A 61 THR OG1 : rot -35:sc= 0.862 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -159:sc= -0.334 USER MOD Single : A 68 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 69 MET CE :methyl -149:sc= -0.628 (180deg=-1.07) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.111 F(o=-1.6,f=-0.11) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -0.803 (180deg=-1.13) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 100 GLN : amide:sc= -3.01! C(o=-3!,f=-4.2!) USER MOD Single : A 101 THR OG1 : rot 70:sc= 0.578 USER MOD Single : A 102 TYR OH : rot 175:sc= -0.176 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot -73:sc= 0.892 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0092) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.268 -13.898 2.943 1.00 0.00 N ATOM 2 CA ALA A 1 13.582 -13.212 4.180 1.00 0.00 C ATOM 3 C ALA A 1 12.946 -11.809 4.189 1.00 0.00 C ATOM 4 O ALA A 1 13.502 -10.875 3.612 1.00 0.00 O ATOM 5 CB ALA A 1 15.093 -13.088 4.412 1.00 0.00 C ATOM 0 H1 ALA A 1 13.703 -14.843 2.950 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.236 -13.992 2.851 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.639 -13.352 2.139 1.00 0.00 H new ATOM 0 HA ALA A 1 13.169 -13.814 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.275 -12.567 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.537 -14.082 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.542 -12.527 3.593 1.00 0.00 H new ATOM 13 N PHE A 2 11.799 -11.840 4.874 1.00 0.00 N ATOM 14 CA PHE A 2 11.066 -10.580 4.973 1.00 0.00 C ATOM 15 C PHE A 2 11.275 -10.017 6.385 1.00 0.00 C ATOM 16 O PHE A 2 11.285 -8.809 6.557 1.00 0.00 O ATOM 17 CB PHE A 2 9.572 -10.697 4.674 1.00 0.00 C ATOM 18 CG PHE A 2 9.127 -9.861 3.513 1.00 0.00 C ATOM 19 CD1 PHE A 2 9.580 -8.592 3.266 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.206 -10.424 2.660 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.067 -7.950 2.155 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.757 -9.700 1.572 1.00 0.00 C ATOM 23 CZ PHE A 2 8.152 -8.575 1.342 1.00 0.00 C ATOM 0 H PHE A 2 11.386 -12.652 5.333 1.00 0.00 H new ATOM 0 HA PHE A 2 11.462 -9.913 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.330 -11.741 4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.008 -10.404 5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 2 10.304 -8.115 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.837 -11.423 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 2 9.389 -6.946 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.034 -10.148 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.774 -8.052 0.476 1.00 0.00 H new ATOM 33 N ASP A 3 11.432 -10.977 7.324 1.00 0.00 N ATOM 34 CA ASP A 3 11.631 -10.575 8.674 1.00 0.00 C ATOM 35 C ASP A 3 12.637 -9.468 8.943 1.00 0.00 C ATOM 36 O ASP A 3 13.839 -9.738 9.000 1.00 0.00 O ATOM 37 CB ASP A 3 12.137 -11.798 9.500 1.00 0.00 C ATOM 38 CG ASP A 3 12.965 -12.738 8.647 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.077 -12.424 8.218 1.00 0.00 O ATOM 40 OD2 ASP A 3 12.455 -13.840 8.405 1.00 0.00 O ATOM 0 H ASP A 3 11.421 -11.983 7.154 1.00 0.00 H new ATOM 0 HA ASP A 3 10.653 -10.184 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.734 -11.448 10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.285 -12.336 9.915 1.00 0.00 H new ATOM 45 N GLY A 4 12.127 -8.237 9.102 1.00 0.00 N ATOM 46 CA GLY A 4 13.127 -7.185 9.360 1.00 0.00 C ATOM 47 C GLY A 4 12.384 -5.877 9.283 1.00 0.00 C ATOM 48 O GLY A 4 11.227 -5.929 8.886 1.00 0.00 O ATOM 0 H GLY A 4 11.146 -7.961 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.586 -7.315 10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.930 -7.221 8.624 1.00 0.00 H new ATOM 52 N THR A 5 12.989 -4.733 9.636 1.00 0.00 N ATOM 53 CA THR A 5 12.151 -3.526 9.507 1.00 0.00 C ATOM 54 C THR A 5 12.555 -2.947 8.152 1.00 0.00 C ATOM 55 O THR A 5 13.700 -3.236 7.768 1.00 0.00 O ATOM 56 CB THR A 5 12.597 -2.488 10.554 1.00 0.00 C ATOM 57 OG1 THR A 5 13.950 -2.453 10.802 1.00 0.00 O ATOM 58 CG2 THR A 5 11.821 -2.633 11.885 1.00 0.00 C ATOM 0 H THR A 5 13.943 -4.614 9.976 1.00 0.00 H new ATOM 0 HA THR A 5 11.090 -3.748 9.620 1.00 0.00 H new ATOM 0 HB THR A 5 12.350 -1.533 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.142 -1.767 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.169 -1.881 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.756 -2.494 11.702 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.991 -3.627 12.299 1.00 0.00 H new ATOM 66 N TRP A 6 11.629 -2.208 7.531 1.00 0.00 N ATOM 67 CA TRP A 6 11.838 -1.598 6.263 1.00 0.00 C ATOM 68 C TRP A 6 11.537 -0.097 6.276 1.00 0.00 C ATOM 69 O TRP A 6 10.992 0.250 7.318 1.00 0.00 O ATOM 70 CB TRP A 6 10.868 -2.213 5.213 1.00 0.00 C ATOM 71 CG TRP A 6 11.223 -3.618 4.903 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.360 -4.660 5.829 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.508 -4.297 3.656 1.00 0.00 C ATOM 74 NE1 TRP A 6 11.679 -5.748 5.165 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.802 -5.667 3.799 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.555 -3.869 2.343 1.00 0.00 C ATOM 77 CZ2 TRP A 6 12.102 -6.511 2.804 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.857 -4.699 1.280 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.132 -6.026 1.520 1.00 0.00 C ATOM 0 H TRP A 6 10.705 -2.029 7.923 1.00 0.00 H new ATOM 0 HA TRP A 6 12.887 -1.768 6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.846 -2.170 5.591 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.896 -1.620 4.299 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.227 -4.583 6.898 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.832 -6.631 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.344 -2.830 2.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.316 -7.550 3.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.877 -4.311 0.272 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.371 -6.685 0.699 1.00 0.00 H new ATOM 90 N LYS A 7 11.878 0.600 5.209 1.00 0.00 N ATOM 91 CA LYS A 7 11.654 2.006 5.057 1.00 0.00 C ATOM 92 C LYS A 7 11.970 2.908 6.265 1.00 0.00 C ATOM 93 O LYS A 7 12.384 2.488 7.303 1.00 0.00 O ATOM 94 CB LYS A 7 10.112 2.215 4.832 1.00 0.00 C ATOM 95 CG LYS A 7 9.895 1.442 3.561 1.00 0.00 C ATOM 96 CD LYS A 7 8.585 1.781 2.852 1.00 0.00 C ATOM 97 CE LYS A 7 7.411 2.270 3.687 1.00 0.00 C ATOM 98 NZ LYS A 7 6.114 1.720 3.265 1.00 0.00 N ATOM 0 H LYS A 7 12.335 0.178 4.401 1.00 0.00 H new ATOM 0 HA LYS A 7 12.325 2.292 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.519 1.823 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.851 3.268 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.726 1.635 2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.910 0.376 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.801 2.545 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.260 0.891 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.585 2.007 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.368 3.358 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.411 2.485 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.211 1.282 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.801 1.003 3.951 1.00 0.00 H new ATOM 112 N VAL A 8 11.653 4.139 5.876 1.00 0.00 N ATOM 113 CA VAL A 8 11.676 5.331 6.696 1.00 0.00 C ATOM 114 C VAL A 8 12.604 5.363 7.853 1.00 0.00 C ATOM 115 O VAL A 8 12.582 4.678 8.859 1.00 0.00 O ATOM 116 CB VAL A 8 10.179 5.364 7.153 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.934 5.487 8.637 1.00 0.00 C ATOM 118 CG2 VAL A 8 9.431 6.583 6.609 1.00 0.00 C ATOM 0 H VAL A 8 11.356 4.336 4.920 1.00 0.00 H new ATOM 0 HA VAL A 8 12.057 6.189 6.141 1.00 0.00 H new ATOM 0 HB VAL A 8 9.836 4.401 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.861 5.499 8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.385 4.639 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.379 6.412 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.397 6.560 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.912 7.494 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.450 6.565 5.519 1.00 0.00 H new ATOM 128 N ASP A 9 13.597 6.301 7.719 1.00 0.00 N ATOM 129 CA ASP A 9 14.580 6.466 8.741 1.00 0.00 C ATOM 130 C ASP A 9 14.508 7.883 9.327 1.00 0.00 C ATOM 131 O ASP A 9 14.660 8.875 8.622 1.00 0.00 O ATOM 132 CB ASP A 9 15.972 6.257 8.133 1.00 0.00 C ATOM 133 CG ASP A 9 15.901 5.365 6.888 1.00 0.00 C ATOM 134 OD1 ASP A 9 15.883 4.138 7.060 1.00 0.00 O ATOM 135 OD2 ASP A 9 15.869 5.921 5.801 1.00 0.00 O ATOM 0 H ASP A 9 13.702 6.922 6.916 1.00 0.00 H new ATOM 0 HA ASP A 9 14.393 5.740 9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.406 7.222 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.631 5.803 8.873 1.00 0.00 H new ATOM 140 N ARG A 10 14.273 7.919 10.650 1.00 0.00 N ATOM 141 CA ARG A 10 14.175 9.161 11.391 1.00 0.00 C ATOM 142 C ARG A 10 13.119 10.131 10.882 1.00 0.00 C ATOM 143 O ARG A 10 12.324 9.846 9.990 1.00 0.00 O ATOM 144 CB ARG A 10 15.542 9.887 11.341 1.00 0.00 C ATOM 145 CG ARG A 10 16.536 9.389 12.410 1.00 0.00 C ATOM 146 CD ARG A 10 16.077 9.422 13.855 1.00 0.00 C ATOM 147 NE ARG A 10 15.905 10.821 14.232 1.00 0.00 N ATOM 148 CZ ARG A 10 15.425 11.122 15.462 1.00 0.00 C ATOM 149 NH1 ARG A 10 15.107 10.192 16.339 1.00 0.00 N ATOM 150 NH2 ARG A 10 15.305 12.434 15.714 1.00 0.00 N ATOM 0 H ARG A 10 14.148 7.084 11.222 1.00 0.00 H new ATOM 0 HA ARG A 10 13.880 8.874 12.400 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.982 9.750 10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.382 10.957 11.473 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.808 8.362 12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.444 9.987 12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.141 8.876 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.810 8.939 14.501 1.00 0.00 H new ATOM 0 HE ARG A 10 16.144 11.565 13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.220 9.207 16.101 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.748 10.457 17.256 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.568 13.116 15.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.951 12.750 16.617 1.00 0.00 H new ATOM 164 N ASN A 11 13.109 11.337 11.490 1.00 0.00 N ATOM 165 CA ASN A 11 12.128 12.306 11.057 1.00 0.00 C ATOM 166 C ASN A 11 12.699 13.730 11.235 1.00 0.00 C ATOM 167 O ASN A 11 12.865 14.402 10.238 1.00 0.00 O ATOM 168 CB ASN A 11 10.831 12.167 11.843 1.00 0.00 C ATOM 169 CG ASN A 11 11.091 11.679 13.278 1.00 0.00 C ATOM 170 OD1 ASN A 11 11.639 10.628 13.547 1.00 0.00 O ATOM 171 ND2 ASN A 11 10.634 12.559 14.204 1.00 0.00 N ATOM 0 H ASN A 11 13.737 11.635 12.237 1.00 0.00 H new ATOM 0 HA ASN A 11 11.906 12.125 10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.317 13.128 11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.169 11.467 11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.742 12.356 15.198 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.183 13.424 13.906 1.00 0.00 H new ATOM 178 N GLU A 12 12.946 14.072 12.499 1.00 0.00 N ATOM 179 CA GLU A 12 13.489 15.384 12.835 1.00 0.00 C ATOM 180 C GLU A 12 12.491 16.501 12.464 1.00 0.00 C ATOM 181 O GLU A 12 12.972 17.629 12.335 1.00 0.00 O ATOM 182 CB GLU A 12 14.829 15.527 12.131 1.00 0.00 C ATOM 183 CG GLU A 12 15.696 16.563 12.873 1.00 0.00 C ATOM 184 CD GLU A 12 16.726 17.193 11.925 1.00 0.00 C ATOM 185 OE1 GLU A 12 17.557 16.443 11.455 1.00 0.00 O ATOM 186 OE2 GLU A 12 16.647 18.394 11.713 1.00 0.00 O ATOM 0 H GLU A 12 12.780 13.463 13.300 1.00 0.00 H new ATOM 0 HA GLU A 12 13.647 15.478 13.909 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.340 14.565 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.677 15.839 11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.060 17.341 13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.209 16.084 13.707 1.00 0.00 H new ATOM 193 N ASN A 13 11.227 16.071 12.337 1.00 0.00 N ATOM 194 CA ASN A 13 10.104 16.927 11.999 1.00 0.00 C ATOM 195 C ASN A 13 10.588 18.051 11.097 1.00 0.00 C ATOM 196 O ASN A 13 10.438 19.251 11.335 1.00 0.00 O ATOM 197 CB ASN A 13 9.478 17.534 13.263 1.00 0.00 C ATOM 198 CG ASN A 13 10.496 18.317 14.093 1.00 0.00 C ATOM 199 OD1 ASN A 13 11.370 17.567 14.771 1.00 0.00 O flip ATOM 200 ND2 ASN A 13 10.489 19.520 14.125 1.00 0.00 N flip ATOM 0 H ASN A 13 10.962 15.095 12.471 1.00 0.00 H new ATOM 0 HA ASN A 13 9.350 16.327 11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.658 18.194 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.050 16.738 13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.797 20.040 13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.175 20.019 14.691 1.00 0.00 H new ATOM 207 N TYR A 14 11.214 17.561 10.018 1.00 0.00 N ATOM 208 CA TYR A 14 11.764 18.479 9.043 1.00 0.00 C ATOM 209 C TYR A 14 10.954 18.533 7.762 1.00 0.00 C ATOM 210 O TYR A 14 11.128 19.478 6.984 1.00 0.00 O ATOM 211 CB TYR A 14 13.202 17.968 8.760 1.00 0.00 C ATOM 212 CG TYR A 14 13.947 19.006 8.025 1.00 0.00 C ATOM 213 CD1 TYR A 14 13.980 20.315 8.421 1.00 0.00 C ATOM 214 CD2 TYR A 14 14.688 18.767 6.870 1.00 0.00 C ATOM 215 CE1 TYR A 14 14.694 21.257 7.700 1.00 0.00 C ATOM 216 CE2 TYR A 14 15.383 19.782 6.205 1.00 0.00 C ATOM 217 CZ TYR A 14 15.349 21.064 6.685 1.00 0.00 C ATOM 218 OH TYR A 14 16.019 22.085 6.051 1.00 0.00 O ATOM 0 H TYR A 14 11.344 16.570 9.812 1.00 0.00 H new ATOM 0 HA TYR A 14 11.750 19.497 9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.709 17.733 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.166 17.047 8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.442 20.618 9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.727 17.763 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.670 22.270 8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.947 19.555 5.312 1.00 0.00 H new ATOM 0 HH TYR A 14 16.483 21.732 5.263 1.00 0.00 H new ATOM 228 N SER A 15 10.082 17.541 7.539 1.00 0.00 N ATOM 229 CA SER A 15 9.286 17.557 6.324 1.00 0.00 C ATOM 230 C SER A 15 7.827 17.302 6.691 1.00 0.00 C ATOM 231 O SER A 15 7.574 16.382 7.460 1.00 0.00 O ATOM 232 CB SER A 15 9.798 16.475 5.356 1.00 0.00 C ATOM 233 OG SER A 15 9.634 15.240 6.030 1.00 0.00 O ATOM 0 H SER A 15 9.919 16.750 8.162 1.00 0.00 H new ATOM 0 HA SER A 15 9.369 18.526 5.831 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.235 16.488 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.844 16.644 5.100 1.00 0.00 H new ATOM 0 HG SER A 15 8.844 15.285 6.608 1.00 0.00 H new ATOM 239 N GLY A 16 6.967 18.159 6.099 1.00 0.00 N ATOM 240 CA GLY A 16 5.553 18.056 6.336 1.00 0.00 C ATOM 241 C GLY A 16 5.106 16.588 6.170 1.00 0.00 C ATOM 242 O GLY A 16 5.615 15.896 5.299 1.00 0.00 O ATOM 0 H GLY A 16 7.243 18.911 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.316 18.408 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.010 18.693 5.638 1.00 0.00 H new ATOM 246 N ALA A 17 4.169 16.260 7.065 1.00 0.00 N ATOM 247 CA ALA A 17 3.587 14.923 7.121 1.00 0.00 C ATOM 248 C ALA A 17 4.677 13.968 7.575 1.00 0.00 C ATOM 249 O ALA A 17 5.488 13.623 6.715 1.00 0.00 O ATOM 250 CB ALA A 17 3.022 14.573 5.749 1.00 0.00 C ATOM 0 H ALA A 17 3.799 16.907 7.761 1.00 0.00 H new ATOM 0 HA ALA A 17 2.761 14.859 7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.584 13.575 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.255 15.298 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.822 14.596 5.009 1.00 0.00 H new ATOM 256 N HIS A 18 4.623 13.612 8.868 1.00 0.00 N ATOM 257 CA HIS A 18 5.587 12.701 9.478 1.00 0.00 C ATOM 258 C HIS A 18 5.837 11.524 8.512 1.00 0.00 C ATOM 259 O HIS A 18 6.975 11.181 8.179 1.00 0.00 O ATOM 260 CB HIS A 18 5.143 12.135 10.808 1.00 0.00 C ATOM 261 CG HIS A 18 5.519 13.114 11.924 1.00 0.00 C ATOM 262 ND1 HIS A 18 4.999 14.340 11.940 1.00 0.00 N ATOM 263 CD2 HIS A 18 6.387 12.831 12.969 1.00 0.00 C ATOM 264 CE1 HIS A 18 5.507 14.935 13.010 1.00 0.00 C ATOM 265 NE2 HIS A 18 6.435 13.942 13.704 1.00 0.00 N ATOM 0 H HIS A 18 3.909 13.950 9.513 1.00 0.00 H new ATOM 0 HA HIS A 18 6.488 13.285 9.665 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.066 11.967 10.804 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.616 11.168 10.981 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.913 11.905 13.149 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.301 15.944 13.334 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.979 14.096 14.553 1.00 0.00 H new ATOM 274 N ASP A 19 4.686 10.944 8.097 1.00 0.00 N ATOM 275 CA ASP A 19 4.742 9.810 7.169 1.00 0.00 C ATOM 276 C ASP A 19 5.628 8.670 7.671 1.00 0.00 C ATOM 277 O ASP A 19 6.792 8.631 7.329 1.00 0.00 O ATOM 278 CB ASP A 19 5.192 10.409 5.838 1.00 0.00 C ATOM 279 CG ASP A 19 4.046 10.405 4.816 1.00 0.00 C ATOM 280 OD1 ASP A 19 2.869 10.466 5.170 1.00 0.00 O ATOM 281 OD2 ASP A 19 4.344 10.342 3.612 1.00 0.00 O ATOM 0 H ASP A 19 3.749 11.233 8.380 1.00 0.00 H new ATOM 0 HA ASP A 19 3.772 9.323 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.541 11.430 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.035 9.840 5.446 1.00 0.00 H new ATOM 286 N ASN A 20 4.977 7.806 8.467 1.00 0.00 N ATOM 287 CA ASN A 20 5.667 6.678 9.028 1.00 0.00 C ATOM 288 C ASN A 20 5.652 5.508 7.994 1.00 0.00 C ATOM 289 O ASN A 20 6.742 5.059 7.626 1.00 0.00 O ATOM 290 CB ASN A 20 4.936 6.318 10.316 1.00 0.00 C ATOM 291 CG ASN A 20 4.476 7.588 11.019 1.00 0.00 C ATOM 292 OD1 ASN A 20 5.182 8.564 11.117 1.00 0.00 O ATOM 293 ND2 ASN A 20 3.223 7.473 11.484 1.00 0.00 N ATOM 0 H ASN A 20 3.992 7.881 8.722 1.00 0.00 H new ATOM 0 HA ASN A 20 6.712 6.894 9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.078 5.683 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.594 5.746 10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.786 8.255 11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.707 6.603 11.350 1.00 0.00 H new ATOM 300 N LEU A 21 4.424 5.168 7.655 1.00 0.00 N ATOM 301 CA LEU A 21 4.070 4.108 6.706 1.00 0.00 C ATOM 302 C LEU A 21 4.846 2.887 7.302 1.00 0.00 C ATOM 303 O LEU A 21 4.157 2.256 8.107 1.00 0.00 O ATOM 304 CB LEU A 21 4.425 4.411 5.274 1.00 0.00 C ATOM 305 CG LEU A 21 5.219 5.689 4.944 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.461 5.710 3.423 1.00 0.00 C ATOM 307 CD2 LEU A 21 4.538 7.008 5.315 1.00 0.00 C ATOM 0 H LEU A 21 3.606 5.636 8.044 1.00 0.00 H new ATOM 0 HA LEU A 21 2.995 3.949 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.996 3.564 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.494 4.449 4.708 1.00 0.00 H new ATOM 0 HG LEU A 21 6.127 5.637 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.023 6.605 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.028 4.826 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.503 5.714 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.184 7.841 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.591 7.091 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.353 7.033 6.389 1.00 0.00 H new ATOM 319 N LYS A 22 6.069 2.750 6.842 1.00 0.00 N ATOM 320 CA LYS A 22 7.046 1.763 7.182 1.00 0.00 C ATOM 321 C LYS A 22 6.421 0.390 6.782 1.00 0.00 C ATOM 322 O LYS A 22 5.232 0.167 6.799 1.00 0.00 O ATOM 323 CB LYS A 22 7.384 1.624 8.678 1.00 0.00 C ATOM 324 CG LYS A 22 6.415 2.237 9.691 1.00 0.00 C ATOM 325 CD LYS A 22 6.887 2.498 11.117 1.00 0.00 C ATOM 326 CE LYS A 22 8.373 2.244 11.366 1.00 0.00 C ATOM 327 NZ LYS A 22 8.693 2.168 12.793 1.00 0.00 N ATOM 0 H LYS A 22 6.433 3.402 6.147 1.00 0.00 H new ATOM 0 HA LYS A 22 7.964 2.060 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.475 0.561 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.365 2.070 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.072 3.187 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.546 1.582 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.664 3.534 11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.309 1.870 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.667 1.313 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.957 3.041 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.712 1.995 12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.438 3.065 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.157 1.390 13.228 1.00 0.00 H new ATOM 341 N LEU A 23 7.425 -0.390 6.454 1.00 0.00 N ATOM 342 CA LEU A 23 7.102 -1.730 6.051 1.00 0.00 C ATOM 343 C LEU A 23 7.992 -2.508 7.054 1.00 0.00 C ATOM 344 O LEU A 23 8.735 -1.745 7.709 1.00 0.00 O ATOM 345 CB LEU A 23 7.328 -1.974 4.592 1.00 0.00 C ATOM 346 CG LEU A 23 6.131 -1.808 3.614 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.735 -1.631 2.210 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.198 -2.988 3.473 1.00 0.00 C ATOM 0 H LEU A 23 8.413 -0.138 6.457 1.00 0.00 H new ATOM 0 HA LEU A 23 6.054 -2.026 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.120 -1.301 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.707 -2.990 4.481 1.00 0.00 H new ATOM 0 HG LEU A 23 5.547 -0.981 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.933 -1.510 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.373 -0.748 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.327 -2.510 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.407 -2.744 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.756 -3.852 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.757 -3.221 4.442 1.00 0.00 H new ATOM 360 N THR A 24 7.879 -3.806 7.113 1.00 0.00 N ATOM 361 CA THR A 24 8.684 -4.582 8.049 1.00 0.00 C ATOM 362 C THR A 24 8.556 -6.061 7.690 1.00 0.00 C ATOM 363 O THR A 24 9.402 -6.677 7.071 1.00 0.00 O ATOM 364 CB THR A 24 8.277 -4.266 9.487 1.00 0.00 C ATOM 365 OG1 THR A 24 8.648 -2.977 9.957 1.00 0.00 O ATOM 366 CG2 THR A 24 8.784 -5.287 10.490 1.00 0.00 C ATOM 0 H THR A 24 7.245 -4.357 6.534 1.00 0.00 H new ATOM 0 HA THR A 24 9.738 -4.314 7.974 1.00 0.00 H new ATOM 0 HB THR A 24 7.189 -4.301 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.063 -2.470 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.461 -5.004 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.383 -6.270 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.873 -5.321 10.456 1.00 0.00 H new ATOM 374 N ILE A 25 7.413 -6.522 8.154 1.00 0.00 N ATOM 375 CA ILE A 25 7.049 -7.896 7.959 1.00 0.00 C ATOM 376 C ILE A 25 7.912 -8.787 8.856 1.00 0.00 C ATOM 377 O ILE A 25 9.108 -8.560 8.977 1.00 0.00 O ATOM 378 CB ILE A 25 7.134 -8.240 6.476 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.516 -7.265 5.470 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.443 -9.616 6.265 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.561 -6.528 4.636 1.00 0.00 C ATOM 0 H ILE A 25 6.729 -5.964 8.665 1.00 0.00 H new ATOM 0 HA ILE A 25 6.015 -8.074 8.256 1.00 0.00 H new ATOM 0 HB ILE A 25 8.203 -8.213 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.848 -7.812 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.906 -6.537 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.489 -9.888 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.954 -10.374 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.401 -9.552 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.062 -5.852 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.214 -5.955 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.155 -7.250 4.075 1.00 0.00 H new ATOM 393 N THR A 26 7.302 -9.781 9.482 1.00 0.00 N ATOM 394 CA THR A 26 8.115 -10.604 10.324 1.00 0.00 C ATOM 395 C THR A 26 7.194 -11.789 10.690 1.00 0.00 C ATOM 396 O THR A 26 6.733 -11.866 11.798 1.00 0.00 O ATOM 397 CB THR A 26 8.532 -9.908 11.615 1.00 0.00 C ATOM 398 OG1 THR A 26 8.970 -8.586 11.511 1.00 0.00 O ATOM 399 CG2 THR A 26 9.665 -10.692 12.296 1.00 0.00 C ATOM 0 H THR A 26 6.312 -10.019 9.424 1.00 0.00 H new ATOM 0 HA THR A 26 9.037 -10.878 9.811 1.00 0.00 H new ATOM 0 HB THR A 26 7.604 -9.884 12.186 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.393 -8.449 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.955 -10.186 13.217 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.321 -11.700 12.528 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.523 -10.747 11.626 1.00 0.00 H new ATOM 407 N GLN A 27 7.094 -12.557 9.599 1.00 0.00 N ATOM 408 CA GLN A 27 6.257 -13.722 9.801 1.00 0.00 C ATOM 409 C GLN A 27 6.627 -14.568 11.012 1.00 0.00 C ATOM 410 O GLN A 27 7.797 -14.648 11.296 1.00 0.00 O ATOM 411 CB GLN A 27 6.287 -14.540 8.484 1.00 0.00 C ATOM 412 CG GLN A 27 7.233 -15.710 8.481 1.00 0.00 C ATOM 413 CD GLN A 27 8.695 -15.371 8.144 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.177 -14.433 8.938 1.00 0.00 O flip ATOM 415 NE2 GLN A 27 9.254 -15.952 7.231 1.00 0.00 N flip ATOM 0 H GLN A 27 7.523 -12.418 8.684 1.00 0.00 H new ATOM 0 HA GLN A 27 5.246 -13.387 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.281 -14.906 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.557 -13.872 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.204 -16.183 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.873 -16.446 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.754 -16.662 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.222 -15.728 7.001 1.00 0.00 H new ATOM 424 N GLU A 28 5.516 -15.100 11.584 1.00 0.00 N ATOM 425 CA GLU A 28 5.759 -15.935 12.771 1.00 0.00 C ATOM 426 C GLU A 28 5.046 -17.249 12.462 1.00 0.00 C ATOM 427 O GLU A 28 4.114 -17.557 13.227 1.00 0.00 O ATOM 428 CB GLU A 28 5.174 -15.197 13.960 1.00 0.00 C ATOM 429 CG GLU A 28 3.817 -14.573 13.643 1.00 0.00 C ATOM 430 CD GLU A 28 3.340 -13.862 14.917 1.00 0.00 C ATOM 431 OE1 GLU A 28 3.075 -14.595 15.887 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.257 -12.626 14.876 1.00 0.00 O ATOM 0 H GLU A 28 4.549 -14.983 11.281 1.00 0.00 H new ATOM 0 HA GLU A 28 6.805 -16.134 13.002 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.068 -15.887 14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.866 -14.416 14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.901 -13.868 12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.103 -15.338 13.338 1.00 0.00 H new ATOM 439 N GLY A 29 5.510 -17.920 11.387 1.00 0.00 N ATOM 440 CA GLY A 29 4.773 -19.172 11.152 1.00 0.00 C ATOM 441 C GLY A 29 3.823 -18.829 9.974 1.00 0.00 C ATOM 442 O GLY A 29 2.616 -18.954 10.047 1.00 0.00 O ATOM 0 H GLY A 29 6.271 -17.670 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.446 -19.990 10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.217 -19.481 12.037 1.00 0.00 H new ATOM 446 N ASN A 30 4.519 -18.391 8.904 1.00 0.00 N ATOM 447 CA ASN A 30 3.953 -17.993 7.662 1.00 0.00 C ATOM 448 C ASN A 30 2.862 -16.932 7.880 1.00 0.00 C ATOM 449 O ASN A 30 2.152 -16.757 6.871 1.00 0.00 O ATOM 450 CB ASN A 30 3.288 -19.176 6.935 1.00 0.00 C ATOM 451 CG ASN A 30 3.978 -20.504 7.103 1.00 0.00 C ATOM 452 OD1 ASN A 30 5.201 -20.526 7.312 1.00 0.00 O ATOM 453 ND2 ASN A 30 3.214 -21.620 7.018 1.00 0.00 N ATOM 0 H ASN A 30 5.536 -18.313 8.915 1.00 0.00 H new ATOM 0 HA ASN A 30 4.773 -17.598 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.262 -19.270 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.235 -18.944 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.641 -22.540 7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.212 -21.540 6.844 1.00 0.00 H new ATOM 460 N LYS A 31 2.766 -16.325 9.043 1.00 0.00 N ATOM 461 CA LYS A 31 1.702 -15.336 9.165 1.00 0.00 C ATOM 462 C LYS A 31 2.496 -14.082 8.717 1.00 0.00 C ATOM 463 O LYS A 31 2.952 -13.429 9.660 1.00 0.00 O ATOM 464 CB LYS A 31 1.092 -15.301 10.522 1.00 0.00 C ATOM 465 CG LYS A 31 -0.438 -15.419 10.300 1.00 0.00 C ATOM 466 CD LYS A 31 -1.249 -14.829 11.451 1.00 0.00 C ATOM 467 CE LYS A 31 -2.174 -15.891 12.001 1.00 0.00 C ATOM 468 NZ LYS A 31 -2.294 -15.933 13.476 1.00 0.00 N ATOM 0 H LYS A 31 3.356 -16.475 9.861 1.00 0.00 H new ATOM 0 HA LYS A 31 0.798 -15.503 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.462 -16.120 11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.342 -14.375 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.707 -14.911 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.703 -16.469 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.582 -14.469 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.825 -13.972 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.167 -15.737 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.827 -16.865 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.949 -16.693 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.360 -16.114 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.658 -15.022 13.821 1.00 0.00 H new ATOM 482 N PHE A 32 2.611 -13.825 7.426 1.00 0.00 N ATOM 483 CA PHE A 32 3.388 -12.623 7.166 1.00 0.00 C ATOM 484 C PHE A 32 2.227 -11.604 7.396 1.00 0.00 C ATOM 485 O PHE A 32 1.131 -11.940 6.999 1.00 0.00 O ATOM 486 CB PHE A 32 3.943 -12.456 5.774 1.00 0.00 C ATOM 487 CG PHE A 32 5.149 -13.364 5.595 1.00 0.00 C ATOM 488 CD1 PHE A 32 4.987 -14.725 5.826 1.00 0.00 C ATOM 489 CD2 PHE A 32 6.375 -12.928 5.221 1.00 0.00 C ATOM 490 CE1 PHE A 32 6.083 -15.524 5.660 1.00 0.00 C ATOM 491 CE2 PHE A 32 7.416 -13.853 5.086 1.00 0.00 C ATOM 492 CZ PHE A 32 7.197 -15.181 5.329 1.00 0.00 C ATOM 0 H PHE A 32 2.235 -14.348 6.635 1.00 0.00 H new ATOM 0 HA PHE A 32 4.298 -12.560 7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.179 -12.699 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.229 -11.417 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.033 -15.135 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.547 -11.879 5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.940 -16.579 5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.398 -13.516 4.788 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.994 -15.903 5.229 1.00 0.00 H new ATOM 502 N THR A 33 2.762 -10.570 7.998 1.00 0.00 N ATOM 503 CA THR A 33 1.821 -9.468 8.309 1.00 0.00 C ATOM 504 C THR A 33 2.620 -8.341 7.670 1.00 0.00 C ATOM 505 O THR A 33 3.706 -7.993 8.155 1.00 0.00 O ATOM 506 CB THR A 33 1.552 -9.419 9.759 1.00 0.00 C ATOM 507 OG1 THR A 33 0.168 -9.169 9.996 1.00 0.00 O ATOM 508 CG2 THR A 33 2.202 -8.243 10.466 1.00 0.00 C ATOM 0 H THR A 33 3.738 -10.448 8.269 1.00 0.00 H new ATOM 0 HA THR A 33 0.796 -9.500 7.939 1.00 0.00 H new ATOM 0 HB THR A 33 1.927 -10.375 10.125 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.001 -9.140 10.961 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.958 -8.277 11.528 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.283 -8.296 10.340 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.832 -7.311 10.038 1.00 0.00 H new ATOM 516 N VAL A 34 2.070 -7.802 6.617 1.00 0.00 N ATOM 517 CA VAL A 34 2.921 -6.716 6.069 1.00 0.00 C ATOM 518 C VAL A 34 2.634 -5.532 6.937 1.00 0.00 C ATOM 519 O VAL A 34 1.588 -5.305 7.504 1.00 0.00 O ATOM 520 CB VAL A 34 2.477 -6.752 4.621 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.046 -5.467 3.971 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.583 -7.256 3.651 1.00 0.00 C ATOM 0 H VAL A 34 1.186 -8.026 6.161 1.00 0.00 H new ATOM 0 HA VAL A 34 4.010 -6.753 6.076 1.00 0.00 H new ATOM 0 HB VAL A 34 1.620 -7.414 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.759 -5.660 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.195 -5.053 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.871 -4.755 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.199 -7.257 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.449 -6.597 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.877 -8.268 3.929 1.00 0.00 H new ATOM 532 N LYS A 35 3.745 -4.739 7.000 1.00 0.00 N ATOM 533 CA LYS A 35 3.684 -3.550 7.771 1.00 0.00 C ATOM 534 C LYS A 35 3.134 -2.269 7.164 1.00 0.00 C ATOM 535 O LYS A 35 3.079 -1.184 7.708 1.00 0.00 O ATOM 536 CB LYS A 35 5.019 -3.338 8.547 1.00 0.00 C ATOM 537 CG LYS A 35 5.087 -2.074 9.415 1.00 0.00 C ATOM 538 CD LYS A 35 5.954 -2.211 10.650 1.00 0.00 C ATOM 539 CE LYS A 35 5.174 -2.001 11.981 1.00 0.00 C ATOM 540 NZ LYS A 35 5.260 -0.629 12.478 1.00 0.00 N ATOM 0 H LYS A 35 4.634 -4.924 6.535 1.00 0.00 H new ATOM 0 HA LYS A 35 2.861 -3.765 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.189 -4.205 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.836 -3.307 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.466 -1.251 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.077 -1.804 9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.409 -3.201 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.767 -1.487 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.127 -2.262 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.565 -2.682 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.723 -0.547 13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.256 -0.385 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.862 0.022 11.771 1.00 0.00 H new ATOM 554 N GLU A 36 2.699 -2.498 5.895 1.00 0.00 N ATOM 555 CA GLU A 36 2.130 -1.470 5.081 1.00 0.00 C ATOM 556 C GLU A 36 1.061 -0.713 5.923 1.00 0.00 C ATOM 557 O GLU A 36 0.001 -1.266 6.212 1.00 0.00 O ATOM 558 CB GLU A 36 1.379 -2.144 3.922 1.00 0.00 C ATOM 559 CG GLU A 36 1.548 -1.359 2.595 1.00 0.00 C ATOM 560 CD GLU A 36 1.121 0.089 2.812 1.00 0.00 C ATOM 561 OE1 GLU A 36 1.917 0.863 3.355 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.001 0.453 2.442 1.00 0.00 O ATOM 0 H GLU A 36 2.747 -3.409 5.439 1.00 0.00 H new ATOM 0 HA GLU A 36 2.909 -0.797 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.748 -3.161 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.320 -2.218 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.586 -1.399 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.945 -1.815 1.809 1.00 0.00 H new ATOM 569 N SER A 37 1.447 0.528 6.259 1.00 0.00 N ATOM 570 CA SER A 37 0.498 1.308 7.055 1.00 0.00 C ATOM 571 C SER A 37 -0.162 2.314 6.127 1.00 0.00 C ATOM 572 O SER A 37 0.564 3.052 5.452 1.00 0.00 O ATOM 573 CB SER A 37 1.254 1.965 8.196 1.00 0.00 C ATOM 574 OG SER A 37 2.087 0.941 8.754 1.00 0.00 O ATOM 0 H SER A 37 2.329 0.979 6.017 1.00 0.00 H new ATOM 0 HA SER A 37 -0.284 0.691 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.852 2.803 7.838 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.567 2.361 8.944 1.00 0.00 H new ATOM 0 HG SER A 37 2.985 1.002 8.366 1.00 0.00 H new ATOM 580 N SER A 38 -1.504 2.296 6.139 1.00 0.00 N ATOM 581 CA SER A 38 -2.190 3.249 5.265 1.00 0.00 C ATOM 582 C SER A 38 -3.563 3.640 5.778 1.00 0.00 C ATOM 583 O SER A 38 -3.890 3.475 6.963 1.00 0.00 O ATOM 584 CB SER A 38 -2.167 2.569 3.895 1.00 0.00 C ATOM 585 OG SER A 38 -0.964 2.828 3.194 1.00 0.00 O ATOM 0 H SER A 38 -2.095 1.682 6.699 1.00 0.00 H new ATOM 0 HA SER A 38 -1.701 4.222 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.288 1.493 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.014 2.917 3.303 1.00 0.00 H new ATOM 0 HG SER A 38 -0.505 1.982 3.009 1.00 0.00 H new ATOM 591 N ASN A 39 -4.338 4.159 4.811 1.00 0.00 N ATOM 592 CA ASN A 39 -5.704 4.604 5.060 1.00 0.00 C ATOM 593 C ASN A 39 -5.628 5.803 6.023 1.00 0.00 C ATOM 594 O ASN A 39 -5.549 6.941 5.642 1.00 0.00 O ATOM 595 CB ASN A 39 -6.564 3.479 5.603 1.00 0.00 C ATOM 596 CG ASN A 39 -7.942 4.029 5.999 1.00 0.00 C ATOM 597 OD1 ASN A 39 -8.128 4.658 7.036 1.00 0.00 O ATOM 598 ND2 ASN A 39 -8.922 3.751 5.098 1.00 0.00 N ATOM 0 H ASN A 39 -4.031 4.278 3.845 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.183 4.911 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.675 2.698 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.081 3.023 6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.876 4.071 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.703 3.223 4.253 1.00 0.00 H new ATOM 605 N PHE A 40 -5.659 5.405 7.306 1.00 0.00 N ATOM 606 CA PHE A 40 -5.588 6.495 8.256 1.00 0.00 C ATOM 607 C PHE A 40 -5.283 5.916 9.669 1.00 0.00 C ATOM 608 O PHE A 40 -5.950 6.367 10.565 1.00 0.00 O ATOM 609 CB PHE A 40 -6.925 7.242 8.250 1.00 0.00 C ATOM 610 CG PHE A 40 -6.769 8.676 8.615 1.00 0.00 C ATOM 611 CD1 PHE A 40 -5.788 9.207 9.403 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.688 9.589 8.129 1.00 0.00 C ATOM 613 CE1 PHE A 40 -5.709 10.552 9.699 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.545 10.920 8.470 1.00 0.00 C ATOM 615 CZ PHE A 40 -6.660 11.372 9.173 1.00 0.00 C ATOM 0 H PHE A 40 -5.725 4.454 7.668 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.794 7.191 7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.376 7.168 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.610 6.763 8.950 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.040 8.544 9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.501 9.267 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.920 10.941 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.276 11.614 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.629 12.431 9.381 1.00 0.00 H new ATOM 625 N ARG A 41 -4.315 5.010 9.616 1.00 0.00 N ATOM 626 CA ARG A 41 -3.844 4.325 10.767 1.00 0.00 C ATOM 627 C ARG A 41 -2.896 3.184 10.401 1.00 0.00 C ATOM 628 O ARG A 41 -2.410 3.135 9.261 1.00 0.00 O ATOM 629 CB ARG A 41 -5.052 3.586 11.411 1.00 0.00 C ATOM 630 CG ARG A 41 -5.587 2.379 10.665 1.00 0.00 C ATOM 631 CD ARG A 41 -6.822 2.622 9.742 1.00 0.00 C ATOM 632 NE ARG A 41 -7.702 1.499 9.984 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.320 1.340 11.184 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.173 2.183 12.203 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.102 0.278 11.298 1.00 0.00 N ATOM 0 H ARG A 41 -3.843 4.742 8.753 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.356 5.064 11.403 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.761 3.266 12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.866 4.302 11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.781 1.970 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.853 1.616 11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.313 3.566 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.527 2.672 8.694 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.861 0.816 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.570 3.000 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.663 2.012 13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.211 -0.362 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.596 0.100 12.173 1.00 0.00 H new ATOM 649 N ASN A 42 -2.699 2.324 11.402 1.00 0.00 N ATOM 650 CA ASN A 42 -1.819 1.180 11.142 1.00 0.00 C ATOM 651 C ASN A 42 -2.804 -0.001 11.092 1.00 0.00 C ATOM 652 O ASN A 42 -3.539 -0.276 12.039 1.00 0.00 O ATOM 653 CB ASN A 42 -0.687 1.023 12.135 1.00 0.00 C ATOM 654 CG ASN A 42 -1.008 1.689 13.463 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.978 2.892 13.650 1.00 0.00 O ATOM 656 ND2 ASN A 42 -1.344 0.817 14.430 1.00 0.00 N ATOM 0 H ASN A 42 -3.103 2.384 12.337 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.251 1.285 10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.490 -0.037 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.223 1.457 11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.586 1.156 15.361 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.357 -0.184 14.232 1.00 0.00 H new ATOM 663 N ILE A 43 -2.693 -0.575 9.904 1.00 0.00 N ATOM 664 CA ILE A 43 -3.601 -1.724 9.701 1.00 0.00 C ATOM 665 C ILE A 43 -2.951 -2.715 8.789 1.00 0.00 C ATOM 666 O ILE A 43 -2.998 -2.751 7.574 1.00 0.00 O ATOM 667 CB ILE A 43 -4.829 -1.013 9.090 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.766 -1.956 8.368 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.376 -0.080 7.936 1.00 0.00 C ATOM 670 CD1 ILE A 43 -7.107 -1.358 7.865 1.00 0.00 C ATOM 0 H ILE A 43 -2.068 -0.317 9.140 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.859 -2.309 10.584 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.308 -0.519 9.936 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.236 -2.372 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.993 -2.787 9.036 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.246 0.419 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.683 0.667 8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.881 -0.670 7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.687 -2.134 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.673 -0.970 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.904 -0.549 7.163 1.00 0.00 H new ATOM 682 N ASP A 44 -2.273 -3.615 9.533 1.00 0.00 N ATOM 683 CA ASP A 44 -1.572 -4.667 8.865 1.00 0.00 C ATOM 684 C ASP A 44 -2.546 -5.516 8.053 1.00 0.00 C ATOM 685 O ASP A 44 -3.650 -5.728 8.513 1.00 0.00 O ATOM 686 CB ASP A 44 -0.948 -5.653 9.869 1.00 0.00 C ATOM 687 CG ASP A 44 -1.782 -5.888 11.123 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.826 -6.538 10.983 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.397 -5.442 12.191 1.00 0.00 O ATOM 0 H ASP A 44 -2.212 -3.616 10.551 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.814 -4.183 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.788 -6.609 9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.033 -5.280 10.164 1.00 0.00 H new ATOM 694 N VAL A 45 -1.987 -5.894 6.926 1.00 0.00 N ATOM 695 CA VAL A 45 -2.805 -6.728 6.012 1.00 0.00 C ATOM 696 C VAL A 45 -2.146 -8.107 6.250 1.00 0.00 C ATOM 697 O VAL A 45 -1.119 -8.334 5.662 1.00 0.00 O ATOM 698 CB VAL A 45 -2.869 -6.266 4.602 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.905 -7.056 3.754 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.402 -4.810 4.485 1.00 0.00 C ATOM 0 H VAL A 45 -1.042 -5.670 6.616 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.875 -6.707 6.217 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.844 -6.390 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.907 -6.674 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.638 -8.113 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.898 -6.936 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.431 -4.516 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.406 -4.755 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.743 -4.136 5.032 1.00 0.00 H new ATOM 710 N VAL A 46 -2.813 -8.898 7.103 1.00 0.00 N ATOM 711 CA VAL A 46 -2.160 -10.173 7.297 1.00 0.00 C ATOM 712 C VAL A 46 -2.755 -11.331 6.543 1.00 0.00 C ATOM 713 O VAL A 46 -3.844 -11.185 6.010 1.00 0.00 O ATOM 714 CB VAL A 46 -2.461 -10.430 8.807 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.886 -10.953 9.024 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.627 -11.523 9.476 1.00 0.00 C ATOM 0 H VAL A 46 -3.682 -8.709 7.602 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.123 -10.121 6.966 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.251 -9.449 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.055 -11.119 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.603 -10.221 8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.015 -11.892 8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.920 -11.615 10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.795 -12.472 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.570 -11.262 9.417 1.00 0.00 H new ATOM 726 N PHE A 47 -1.934 -12.391 6.586 1.00 0.00 N ATOM 727 CA PHE A 47 -2.359 -13.576 5.900 1.00 0.00 C ATOM 728 C PHE A 47 -1.563 -14.801 6.306 1.00 0.00 C ATOM 729 O PHE A 47 -0.494 -14.579 6.886 1.00 0.00 O ATOM 730 CB PHE A 47 -2.162 -13.376 4.374 1.00 0.00 C ATOM 731 CG PHE A 47 -0.950 -12.486 4.163 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.905 -11.125 4.260 1.00 0.00 C ATOM 733 CD2 PHE A 47 0.228 -13.146 3.842 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.275 -10.454 4.039 1.00 0.00 C ATOM 735 CE2 PHE A 47 1.362 -12.395 3.639 1.00 0.00 C ATOM 736 CZ PHE A 47 1.312 -11.026 3.758 1.00 0.00 C ATOM 0 H PHE A 47 -1.033 -12.437 7.061 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.405 -13.739 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.018 -14.337 3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.049 -12.921 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.799 -10.573 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.253 -14.222 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.282 -9.377 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.293 -12.881 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.210 -10.447 3.599 1.00 0.00 H new ATOM 746 N GLU A 48 -2.060 -16.015 6.017 1.00 0.00 N ATOM 747 CA GLU A 48 -1.253 -17.129 6.430 1.00 0.00 C ATOM 748 C GLU A 48 -0.481 -17.821 5.292 1.00 0.00 C ATOM 749 O GLU A 48 -0.228 -19.017 5.407 1.00 0.00 O ATOM 750 CB GLU A 48 -2.251 -18.176 6.992 1.00 0.00 C ATOM 751 CG GLU A 48 -1.607 -18.990 8.097 1.00 0.00 C ATOM 752 CD GLU A 48 -1.836 -20.500 8.020 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.954 -20.973 7.990 1.00 0.00 O ATOM 754 OE2 GLU A 48 -0.835 -21.235 7.991 1.00 0.00 O ATOM 0 H GLU A 48 -2.938 -16.223 5.542 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.508 -16.760 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.138 -17.671 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.581 -18.838 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.533 -18.802 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.983 -18.631 9.055 1.00 0.00 H new ATOM 761 N LEU A 49 -0.194 -16.964 4.307 1.00 0.00 N ATOM 762 CA LEU A 49 0.528 -17.393 3.136 1.00 0.00 C ATOM 763 C LEU A 49 -0.143 -18.457 2.304 1.00 0.00 C ATOM 764 O LEU A 49 0.035 -19.660 2.421 1.00 0.00 O ATOM 765 CB LEU A 49 1.887 -17.890 3.697 1.00 0.00 C ATOM 766 CG LEU A 49 3.103 -17.150 3.214 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.982 -15.609 3.250 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.337 -17.409 4.114 1.00 0.00 C ATOM 0 H LEU A 49 -0.455 -15.978 4.310 1.00 0.00 H new ATOM 0 HA LEU A 49 0.608 -16.567 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.855 -17.827 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.001 -18.944 3.442 1.00 0.00 H new ATOM 0 HG LEU A 49 3.203 -17.522 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.907 -15.163 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.152 -15.294 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.802 -15.282 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.192 -16.855 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.121 -17.081 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.567 -18.474 4.118 1.00 0.00 H new ATOM 780 N GLY A 50 -0.989 -17.994 1.397 1.00 0.00 N ATOM 781 CA GLY A 50 -1.715 -18.915 0.510 1.00 0.00 C ATOM 782 C GLY A 50 -2.820 -19.510 1.395 1.00 0.00 C ATOM 783 O GLY A 50 -2.671 -20.638 1.774 1.00 0.00 O ATOM 0 H GLY A 50 -1.194 -17.006 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.134 -18.391 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.057 -19.692 0.120 1.00 0.00 H new ATOM 787 N VAL A 51 -3.813 -18.642 1.612 1.00 0.00 N ATOM 788 CA VAL A 51 -4.949 -18.987 2.403 1.00 0.00 C ATOM 789 C VAL A 51 -6.310 -18.578 1.849 1.00 0.00 C ATOM 790 O VAL A 51 -7.256 -19.345 1.899 1.00 0.00 O ATOM 791 CB VAL A 51 -4.846 -18.560 3.896 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.176 -17.123 4.218 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.882 -19.386 4.701 1.00 0.00 C ATOM 0 H VAL A 51 -3.832 -17.693 1.238 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.908 -20.075 2.345 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.797 -18.720 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.066 -16.956 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.498 -16.464 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.203 -16.910 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.832 -19.107 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.883 -19.185 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.661 -20.448 4.597 1.00 0.00 H new ATOM 803 N ASP A 52 -6.248 -17.328 1.351 1.00 0.00 N ATOM 804 CA ASP A 52 -7.480 -16.793 0.780 1.00 0.00 C ATOM 805 C ASP A 52 -8.454 -16.311 1.882 1.00 0.00 C ATOM 806 O ASP A 52 -8.794 -17.014 2.803 1.00 0.00 O ATOM 807 CB ASP A 52 -8.184 -17.695 -0.208 1.00 0.00 C ATOM 808 CG ASP A 52 -7.249 -18.233 -1.310 1.00 0.00 C ATOM 809 OD1 ASP A 52 -6.205 -18.768 -0.943 1.00 0.00 O ATOM 810 OD2 ASP A 52 -7.583 -18.102 -2.480 1.00 0.00 O ATOM 0 H ASP A 52 -5.429 -16.720 1.333 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.151 -15.938 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.626 -18.535 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.004 -17.146 -0.672 1.00 0.00 H new ATOM 815 N PHE A 53 -8.843 -15.033 1.661 1.00 0.00 N ATOM 816 CA PHE A 53 -9.742 -14.525 2.657 1.00 0.00 C ATOM 817 C PHE A 53 -10.536 -13.312 2.242 1.00 0.00 C ATOM 818 O PHE A 53 -10.071 -12.534 1.416 1.00 0.00 O ATOM 819 CB PHE A 53 -9.034 -14.111 3.967 1.00 0.00 C ATOM 820 CG PHE A 53 -7.810 -13.251 3.679 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.575 -13.742 3.356 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.930 -11.870 3.742 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.546 -12.857 3.114 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.825 -11.048 3.483 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.742 -11.493 3.198 1.00 0.00 C ATOM 0 H PHE A 53 -8.576 -14.418 0.893 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.405 -15.378 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.729 -13.560 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.735 -15.002 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.408 -14.807 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.882 -11.425 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.569 -13.237 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.949 -9.977 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.919 -10.820 3.007 1.00 0.00 H new ATOM 835 N ALA A 54 -11.724 -13.159 2.823 1.00 0.00 N ATOM 836 CA ALA A 54 -12.584 -12.003 2.492 1.00 0.00 C ATOM 837 C ALA A 54 -12.493 -11.178 3.786 1.00 0.00 C ATOM 838 O ALA A 54 -12.907 -11.703 4.816 1.00 0.00 O ATOM 839 CB ALA A 54 -14.000 -12.500 2.236 1.00 0.00 C ATOM 0 H ALA A 54 -12.116 -13.801 3.512 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.298 -11.438 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.643 -11.655 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.994 -13.205 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.378 -12.997 3.129 1.00 0.00 H new ATOM 845 N TYR A 55 -11.972 -9.963 3.682 1.00 0.00 N ATOM 846 CA TYR A 55 -11.911 -9.210 4.931 1.00 0.00 C ATOM 847 C TYR A 55 -12.176 -7.738 4.704 1.00 0.00 C ATOM 848 O TYR A 55 -11.696 -7.175 3.745 1.00 0.00 O ATOM 849 CB TYR A 55 -10.587 -9.482 5.652 1.00 0.00 C ATOM 850 CG TYR A 55 -10.600 -9.133 7.116 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.858 -7.893 7.629 1.00 0.00 C ATOM 852 CD2 TYR A 55 -10.339 -10.091 8.076 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.856 -7.621 8.977 1.00 0.00 C ATOM 854 CE2 TYR A 55 -10.357 -9.740 9.413 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.631 -8.454 9.825 1.00 0.00 C ATOM 856 OH TYR A 55 -10.634 -8.162 11.158 1.00 0.00 O ATOM 0 H TYR A 55 -11.618 -9.511 2.839 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.708 -9.554 5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.337 -10.537 5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.796 -8.915 5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.074 -7.088 6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.122 -11.108 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.066 -6.611 9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.150 -10.496 10.156 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.431 -8.972 11.671 1.00 0.00 H new ATOM 866 N SER A 56 -12.956 -7.237 5.654 1.00 0.00 N ATOM 867 CA SER A 56 -13.256 -5.810 5.491 1.00 0.00 C ATOM 868 C SER A 56 -12.240 -5.042 6.347 1.00 0.00 C ATOM 869 O SER A 56 -12.435 -4.910 7.553 1.00 0.00 O ATOM 870 CB SER A 56 -14.698 -5.646 5.937 1.00 0.00 C ATOM 871 OG SER A 56 -14.855 -4.587 6.848 1.00 0.00 O ATOM 0 H SER A 56 -13.355 -7.722 6.458 1.00 0.00 H new ATOM 0 HA SER A 56 -13.168 -5.426 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.328 -5.470 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.042 -6.573 6.397 1.00 0.00 H new ATOM 0 HG SER A 56 -14.200 -4.678 7.571 1.00 0.00 H new ATOM 877 N LEU A 57 -11.200 -4.573 5.644 1.00 0.00 N ATOM 878 CA LEU A 57 -10.100 -3.810 6.202 1.00 0.00 C ATOM 879 C LEU A 57 -10.421 -2.319 6.309 1.00 0.00 C ATOM 880 O LEU A 57 -11.036 -1.818 5.359 1.00 0.00 O ATOM 881 CB LEU A 57 -8.833 -4.062 5.411 1.00 0.00 C ATOM 882 CG LEU A 57 -8.111 -5.272 6.003 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.734 -5.426 5.363 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.826 -5.265 7.502 1.00 0.00 C ATOM 0 H LEU A 57 -11.108 -4.725 4.640 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.939 -4.155 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.073 -4.242 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.187 -3.185 5.444 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.822 -6.073 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.228 -6.291 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.846 -5.567 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.143 -4.530 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.311 -6.185 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.198 -4.409 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.765 -5.196 8.051 1.00 0.00 H new ATOM 896 N ALA A 58 -10.014 -1.711 7.406 1.00 0.00 N ATOM 897 CA ALA A 58 -10.309 -0.291 7.541 1.00 0.00 C ATOM 898 C ALA A 58 -11.774 0.068 7.422 1.00 0.00 C ATOM 899 O ALA A 58 -12.037 1.287 7.436 1.00 0.00 O ATOM 900 CB ALA A 58 -9.620 0.363 6.336 1.00 0.00 C ATOM 0 H ALA A 58 -9.507 -2.143 8.178 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.982 0.031 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.792 1.439 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.549 0.165 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.029 -0.050 5.414 1.00 0.00 H new ATOM 906 N ASP A 59 -12.701 -0.894 7.309 1.00 0.00 N ATOM 907 CA ASP A 59 -14.125 -0.545 7.190 1.00 0.00 C ATOM 908 C ASP A 59 -14.553 -0.038 5.839 1.00 0.00 C ATOM 909 O ASP A 59 -15.641 -0.388 5.384 1.00 0.00 O ATOM 910 CB ASP A 59 -14.568 0.423 8.307 1.00 0.00 C ATOM 911 CG ASP A 59 -13.798 0.210 9.591 1.00 0.00 C ATOM 912 OD1 ASP A 59 -13.412 -0.915 9.810 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.601 1.155 10.338 1.00 0.00 O ATOM 0 H ASP A 59 -12.500 -1.894 7.297 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.644 -1.496 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.430 1.450 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.633 0.290 8.498 1.00 0.00 H new ATOM 918 N GLY A 60 -13.721 0.783 5.186 1.00 0.00 N ATOM 919 CA GLY A 60 -14.073 1.313 3.874 1.00 0.00 C ATOM 920 C GLY A 60 -13.631 0.291 2.816 1.00 0.00 C ATOM 921 O GLY A 60 -14.413 0.124 1.891 1.00 0.00 O ATOM 0 H GLY A 60 -12.815 1.088 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.147 1.488 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.583 2.272 3.706 1.00 0.00 H new ATOM 925 N THR A 61 -12.441 -0.275 3.055 1.00 0.00 N ATOM 926 CA THR A 61 -11.904 -1.253 2.137 1.00 0.00 C ATOM 927 C THR A 61 -12.557 -2.616 2.363 1.00 0.00 C ATOM 928 O THR A 61 -12.981 -2.953 3.477 1.00 0.00 O ATOM 929 CB THR A 61 -10.360 -1.400 2.212 1.00 0.00 C ATOM 930 OG1 THR A 61 -9.959 -2.364 3.109 1.00 0.00 O ATOM 931 CG2 THR A 61 -9.718 -0.022 2.497 1.00 0.00 C ATOM 0 H THR A 61 -11.852 -0.070 3.862 1.00 0.00 H new ATOM 0 HA THR A 61 -12.138 -0.881 1.139 1.00 0.00 H new ATOM 0 HB THR A 61 -10.006 -1.751 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.569 -2.371 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.635 -0.129 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.976 0.672 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.090 0.364 3.446 1.00 0.00 H new ATOM 939 N GLU A 62 -12.617 -3.379 1.245 1.00 0.00 N ATOM 940 CA GLU A 62 -13.238 -4.669 1.465 1.00 0.00 C ATOM 941 C GLU A 62 -12.657 -5.617 0.405 1.00 0.00 C ATOM 942 O GLU A 62 -13.313 -6.082 -0.525 1.00 0.00 O ATOM 943 CB GLU A 62 -14.738 -4.547 1.196 1.00 0.00 C ATOM 944 CG GLU A 62 -15.512 -3.766 2.274 1.00 0.00 C ATOM 945 CD GLU A 62 -16.962 -4.223 2.281 1.00 0.00 C ATOM 946 OE1 GLU A 62 -17.783 -3.764 1.499 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.293 -5.080 3.103 1.00 0.00 O ATOM 0 H GLU A 62 -12.287 -3.153 0.307 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.064 -5.022 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.884 -4.057 0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.163 -5.547 1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.062 -3.931 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.457 -2.696 2.074 1.00 0.00 H new ATOM 954 N LEU A 63 -11.360 -5.802 0.709 1.00 0.00 N ATOM 955 CA LEU A 63 -10.598 -6.662 -0.148 1.00 0.00 C ATOM 956 C LEU A 63 -10.815 -8.136 0.111 1.00 0.00 C ATOM 957 O LEU A 63 -10.773 -8.626 1.207 1.00 0.00 O ATOM 958 CB LEU A 63 -9.113 -6.251 0.092 1.00 0.00 C ATOM 959 CG LEU A 63 -8.733 -4.943 -0.602 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.570 -3.781 -0.058 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.284 -4.599 -0.332 1.00 0.00 C ATOM 0 H LEU A 63 -10.861 -5.387 1.496 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.909 -6.537 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.939 -6.151 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.460 -7.047 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.908 -5.084 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.285 -2.859 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.627 -3.980 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.395 -3.676 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.032 -3.665 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.131 -4.487 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.644 -5.397 -0.708 1.00 0.00 H new ATOM 973 N THR A 64 -11.066 -8.847 -1.013 1.00 0.00 N ATOM 974 CA THR A 64 -11.301 -10.254 -1.010 1.00 0.00 C ATOM 975 C THR A 64 -10.161 -10.819 -1.908 1.00 0.00 C ATOM 976 O THR A 64 -10.173 -10.697 -3.103 1.00 0.00 O ATOM 977 CB THR A 64 -12.661 -10.670 -1.578 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.692 -10.147 -0.795 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.829 -12.184 -1.608 1.00 0.00 C ATOM 0 H THR A 64 -11.105 -8.427 -1.942 1.00 0.00 H new ATOM 0 HA THR A 64 -11.310 -10.633 0.012 1.00 0.00 H new ATOM 0 HB THR A 64 -12.705 -10.282 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.556 -10.418 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.808 -12.433 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.051 -12.624 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.749 -12.579 -0.595 1.00 0.00 H new ATOM 987 N GLY A 65 -9.211 -11.433 -1.194 1.00 0.00 N ATOM 988 CA GLY A 65 -8.155 -11.956 -2.073 1.00 0.00 C ATOM 989 C GLY A 65 -7.326 -12.869 -1.148 1.00 0.00 C ATOM 990 O GLY A 65 -7.841 -13.251 -0.121 1.00 0.00 O ATOM 0 H GLY A 65 -9.141 -11.569 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.572 -12.511 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.548 -11.153 -2.491 1.00 0.00 H new ATOM 994 N THR A 66 -6.118 -13.059 -1.698 1.00 0.00 N ATOM 995 CA THR A 66 -5.160 -13.871 -1.022 1.00 0.00 C ATOM 996 C THR A 66 -3.691 -13.576 -1.251 1.00 0.00 C ATOM 997 O THR A 66 -3.374 -12.972 -2.297 1.00 0.00 O ATOM 998 CB THR A 66 -5.438 -15.308 -1.528 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.809 -16.212 -0.676 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.796 -15.301 -2.944 1.00 0.00 C ATOM 0 H THR A 66 -5.809 -12.663 -2.586 1.00 0.00 H new ATOM 0 HA THR A 66 -5.292 -13.687 0.044 1.00 0.00 H new ATOM 0 HB THR A 66 -6.490 -15.593 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.686 -17.067 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.930 -16.278 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.276 -14.538 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.731 -15.082 -2.860 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.777 -13.958 -0.340 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.356 -13.656 -0.591 1.00 0.00 C ATOM 1010 C TRP A 67 -0.637 -15.032 -0.493 1.00 0.00 C ATOM 1011 O TRP A 67 -0.623 -15.514 0.612 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.734 -12.658 0.341 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.350 -11.308 -0.059 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -2.018 -10.434 0.789 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.339 -10.722 -1.375 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.361 -9.447 0.023 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.012 -9.494 -1.311 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.849 -11.083 -2.582 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.166 -8.713 -2.418 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.005 -10.293 -3.678 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.662 -9.096 -3.641 1.00 0.00 C ATOM 0 H TRP A 67 -2.979 -14.450 0.531 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.257 -13.173 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.952 -12.899 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.351 -12.644 0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.208 -10.551 1.846 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.878 -8.652 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.321 -12.020 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -2.694 -7.775 -2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.592 -10.627 -4.618 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.780 -8.483 -4.523 1.00 0.00 H new ATOM 1032 N THR A 68 -0.179 -15.388 -1.688 1.00 0.00 N ATOM 1033 CA THR A 68 0.544 -16.586 -2.007 1.00 0.00 C ATOM 1034 C THR A 68 2.046 -16.412 -2.295 1.00 0.00 C ATOM 1035 O THR A 68 2.463 -16.877 -3.339 1.00 0.00 O ATOM 1036 CB THR A 68 -0.105 -17.328 -3.167 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.186 -16.757 -4.420 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.622 -17.458 -3.057 1.00 0.00 C ATOM 0 H THR A 68 -0.320 -14.797 -2.507 1.00 0.00 H new ATOM 0 HA THR A 68 0.486 -17.168 -1.087 1.00 0.00 H new ATOM 0 HB THR A 68 0.338 -18.321 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.154 -16.776 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.005 -17.999 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.875 -18.003 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.071 -16.465 -3.022 1.00 0.00 H new ATOM 1046 N MET A 69 2.605 -15.751 -1.290 1.00 0.00 N ATOM 1047 CA MET A 69 4.029 -15.428 -1.271 1.00 0.00 C ATOM 1048 C MET A 69 4.707 -16.718 -1.685 1.00 0.00 C ATOM 1049 O MET A 69 4.712 -17.707 -0.981 1.00 0.00 O ATOM 1050 CB MET A 69 4.502 -15.083 0.169 1.00 0.00 C ATOM 1051 CG MET A 69 6.029 -15.038 0.163 1.00 0.00 C ATOM 1052 SD MET A 69 6.678 -13.484 0.773 1.00 0.00 S ATOM 1053 CE MET A 69 8.297 -13.487 -0.013 1.00 0.00 C ATOM 0 H MET A 69 2.091 -15.425 -0.471 1.00 0.00 H new ATOM 0 HA MET A 69 4.253 -14.576 -1.912 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.093 -14.123 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.145 -15.831 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.415 -15.853 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.389 -15.204 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.010 -12.961 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.629 -14.515 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.233 -12.987 -0.979 1.00 0.00 H new ATOM 1063 N GLU A 70 5.263 -16.562 -2.908 1.00 0.00 N ATOM 1064 CA GLU A 70 5.970 -17.724 -3.471 1.00 0.00 C ATOM 1065 C GLU A 70 7.419 -17.701 -3.075 1.00 0.00 C ATOM 1066 O GLU A 70 7.951 -18.730 -2.719 1.00 0.00 O ATOM 1067 CB GLU A 70 5.891 -17.621 -4.995 1.00 0.00 C ATOM 1068 CG GLU A 70 6.799 -18.592 -5.731 1.00 0.00 C ATOM 1069 CD GLU A 70 5.954 -19.785 -6.195 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.033 -19.546 -6.988 1.00 0.00 O ATOM 1071 OE2 GLU A 70 6.252 -20.915 -5.759 1.00 0.00 O ATOM 0 H GLU A 70 5.241 -15.718 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 70 5.514 -18.643 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.861 -17.796 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.147 -16.604 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.266 -18.102 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.604 -18.928 -5.078 1.00 0.00 H new ATOM 1078 N GLY A 71 7.958 -16.484 -3.179 1.00 0.00 N ATOM 1079 CA GLY A 71 9.357 -16.361 -2.808 1.00 0.00 C ATOM 1080 C GLY A 71 9.892 -15.178 -3.622 1.00 0.00 C ATOM 1081 O GLY A 71 10.158 -15.372 -4.816 1.00 0.00 O ATOM 0 H GLY A 71 7.487 -15.635 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.465 -16.183 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.906 -17.275 -3.036 1.00 0.00 H new ATOM 1085 N ASN A 72 9.988 -14.077 -2.879 1.00 0.00 N ATOM 1086 CA ASN A 72 10.463 -12.823 -3.423 1.00 0.00 C ATOM 1087 C ASN A 72 9.396 -12.208 -4.328 1.00 0.00 C ATOM 1088 O ASN A 72 9.759 -11.289 -5.066 1.00 0.00 O ATOM 1089 CB ASN A 72 11.831 -12.997 -4.097 1.00 0.00 C ATOM 1090 CG ASN A 72 12.825 -13.264 -2.978 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.743 -14.412 -2.329 1.00 0.00 O flip ATOM 1092 ND2 ASN A 72 13.686 -12.419 -2.701 1.00 0.00 N flip ATOM 0 H ASN A 72 9.739 -14.037 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 72 10.630 -12.111 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.813 -13.824 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.106 -12.103 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.725 -11.542 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 72 14.357 -12.600 -1.954 1.00 0.00 H new ATOM 1099 N LYS A 73 8.184 -12.773 -4.195 1.00 0.00 N ATOM 1100 CA LYS A 73 7.093 -12.250 -5.032 1.00 0.00 C ATOM 1101 C LYS A 73 5.950 -11.821 -4.118 1.00 0.00 C ATOM 1102 O LYS A 73 6.219 -11.784 -2.915 1.00 0.00 O ATOM 1103 CB LYS A 73 6.762 -13.146 -6.199 1.00 0.00 C ATOM 1104 CG LYS A 73 7.621 -12.913 -7.439 1.00 0.00 C ATOM 1105 CD LYS A 73 9.069 -13.379 -7.283 1.00 0.00 C ATOM 1106 CE LYS A 73 10.045 -12.309 -7.817 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.570 -12.631 -9.127 1.00 0.00 N ATOM 0 H LYS A 73 7.944 -13.537 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 73 7.399 -11.349 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.872 -14.184 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.715 -13.002 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.171 -13.433 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.615 -11.850 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.281 -13.580 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.216 -14.315 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.533 -11.348 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.873 -12.197 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.219 -11.879 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.083 -13.534 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.786 -12.711 -9.805 1.00 0.00 H new ATOM 1121 N LEU A 74 4.809 -11.531 -4.714 1.00 0.00 N ATOM 1122 CA LEU A 74 3.715 -11.110 -3.878 1.00 0.00 C ATOM 1123 C LEU A 74 2.408 -11.060 -4.641 1.00 0.00 C ATOM 1124 O LEU A 74 1.637 -10.132 -4.519 1.00 0.00 O ATOM 1125 CB LEU A 74 4.086 -9.765 -3.211 1.00 0.00 C ATOM 1126 CG LEU A 74 4.147 -9.958 -1.679 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.769 -8.770 -0.945 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.793 -10.305 -1.055 1.00 0.00 C ATOM 0 H LEU A 74 4.624 -11.576 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 74 3.550 -11.846 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.048 -9.413 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.348 -9.004 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 74 4.805 -10.817 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.781 -8.970 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.789 -8.618 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.181 -7.873 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.909 -10.426 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.084 -9.502 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.421 -11.234 -1.487 1.00 0.00 H new ATOM 1140 N VAL A 75 2.346 -12.172 -5.393 1.00 0.00 N ATOM 1141 CA VAL A 75 1.224 -12.441 -6.256 1.00 0.00 C ATOM 1142 C VAL A 75 -0.006 -12.951 -5.505 1.00 0.00 C ATOM 1143 O VAL A 75 -0.064 -13.770 -4.620 1.00 0.00 O ATOM 1144 CB VAL A 75 1.687 -13.435 -7.324 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.756 -13.574 -8.516 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.958 -12.847 -7.965 1.00 0.00 C ATOM 0 H VAL A 75 3.070 -12.890 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 75 0.900 -11.508 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 75 1.779 -14.392 -6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.169 -14.299 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.222 -13.914 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.653 -12.609 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.324 -13.526 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.726 -11.881 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.725 -12.718 -7.201 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.109 -12.338 -5.970 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.424 -12.638 -5.419 1.00 0.00 C ATOM 1158 C GLY A 76 -3.262 -11.430 -5.930 1.00 0.00 C ATOM 1159 O GLY A 76 -2.801 -10.827 -6.886 1.00 0.00 O ATOM 0 H GLY A 76 -1.108 -11.642 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.813 -13.589 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.409 -12.695 -4.331 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.404 -11.231 -5.217 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.213 -10.131 -5.666 1.00 0.00 C ATOM 1165 C LYS A 77 -6.488 -9.968 -4.889 1.00 0.00 C ATOM 1166 O LYS A 77 -7.125 -10.919 -4.526 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.565 -10.504 -7.121 1.00 0.00 C ATOM 1168 CG LYS A 77 -6.920 -10.002 -7.538 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.833 -11.075 -8.123 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.578 -11.338 -9.622 1.00 0.00 C ATOM 1171 NZ LYS A 77 -8.705 -10.921 -10.477 1.00 0.00 N ATOM 0 H LYS A 77 -4.737 -11.768 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.675 -9.191 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.809 -10.094 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.534 -11.588 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.411 -9.555 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.790 -9.210 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.694 -12.003 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.872 -10.774 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.678 -10.807 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.388 -12.401 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.478 -11.121 -11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.560 -11.446 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.872 -9.901 -10.358 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.713 -8.630 -4.722 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.906 -8.255 -3.978 1.00 0.00 C ATOM 1187 C PHE A 78 -8.597 -7.205 -4.816 1.00 0.00 C ATOM 1188 O PHE A 78 -8.266 -6.718 -5.872 1.00 0.00 O ATOM 1189 CB PHE A 78 -7.427 -7.885 -2.589 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.666 -8.886 -1.798 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.473 -9.404 -2.299 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.947 -9.442 -0.579 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.700 -10.340 -1.673 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -6.122 -10.375 0.009 1.00 0.00 C ATOM 1195 CZ PHE A 78 -5.099 -10.804 -0.451 1.00 0.00 C ATOM 0 H PHE A 78 -6.128 -7.869 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.666 -9.018 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.803 -6.996 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.302 -7.600 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.134 -9.037 -3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.845 -9.139 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.794 -10.705 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.423 -10.756 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.512 -11.535 0.085 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.737 -6.869 -4.144 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.613 -5.873 -4.709 1.00 0.00 C ATOM 1207 C LYS A 79 -11.601 -5.316 -3.729 1.00 0.00 C ATOM 1208 O LYS A 79 -12.279 -6.039 -3.028 1.00 0.00 O ATOM 1209 CB LYS A 79 -11.346 -6.753 -5.771 1.00 0.00 C ATOM 1210 CG LYS A 79 -12.003 -6.048 -6.913 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.160 -5.122 -6.435 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.572 -4.131 -7.526 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.364 -4.770 -8.572 1.00 0.00 N ATOM 0 H LYS A 79 -10.036 -7.268 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.091 -4.989 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.623 -7.458 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.106 -7.340 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.261 -5.455 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.393 -6.783 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.019 -5.729 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.846 -4.576 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.147 -3.319 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.680 -3.685 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.479 -4.113 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.879 -5.630 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.299 -5.022 -8.194 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.631 -3.954 -3.751 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.521 -3.239 -2.886 1.00 0.00 C ATOM 1229 C ARG A 80 -13.914 -3.112 -3.571 1.00 0.00 C ATOM 1230 O ARG A 80 -14.042 -2.176 -4.332 1.00 0.00 O ATOM 1231 CB ARG A 80 -11.991 -1.851 -2.512 1.00 0.00 C ATOM 1232 CG ARG A 80 -12.943 -1.096 -1.591 1.00 0.00 C ATOM 1233 CD ARG A 80 -12.298 0.216 -1.144 1.00 0.00 C ATOM 1234 NE ARG A 80 -13.161 0.970 -0.265 1.00 0.00 N ATOM 1235 CZ ARG A 80 -12.750 2.016 0.462 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -11.458 2.402 0.372 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -13.618 2.647 1.241 1.00 0.00 N ATOM 0 H ARG A 80 -11.052 -3.370 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.606 -3.805 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.022 -1.954 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.830 -1.269 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.880 -0.893 -2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.185 -1.708 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.358 0.003 -0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.057 0.818 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.139 0.690 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.817 1.899 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.124 3.197 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.588 2.334 1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.316 3.445 1.799 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.732 -4.086 -3.180 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.073 -4.179 -3.680 1.00 0.00 C ATOM 1253 C VAL A 81 -16.842 -2.847 -3.644 1.00 0.00 C ATOM 1254 O VAL A 81 -17.741 -2.678 -4.438 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.874 -5.176 -2.851 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.031 -4.686 -1.404 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -18.311 -5.426 -3.321 1.00 0.00 C ATOM 0 H VAL A 81 -14.475 -4.817 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.970 -4.493 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.292 -6.092 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.606 -5.415 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.047 -4.566 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.552 -3.728 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -18.789 -6.150 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.870 -4.490 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.298 -5.815 -4.339 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.375 -2.046 -2.705 1.00 0.00 N ATOM 1268 CA ASP A 82 -16.974 -0.734 -2.508 1.00 0.00 C ATOM 1269 C ASP A 82 -16.709 0.165 -3.700 1.00 0.00 C ATOM 1270 O ASP A 82 -17.643 0.912 -4.019 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.423 -0.055 -1.241 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.430 0.945 -0.736 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.234 1.533 -1.442 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -17.434 1.172 0.465 1.00 0.00 O ATOM 0 H ASP A 82 -15.602 -2.270 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.048 -0.885 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.218 -0.802 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.479 0.442 -1.462 1.00 0.00 H new ATOM 1279 N ASN A 83 -15.502 0.079 -4.297 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.319 0.969 -5.427 1.00 0.00 C ATOM 1281 C ASN A 83 -15.241 0.281 -6.766 1.00 0.00 C ATOM 1282 O ASN A 83 -15.151 1.022 -7.755 1.00 0.00 O ATOM 1283 CB ASN A 83 -13.946 1.640 -5.202 1.00 0.00 C ATOM 1284 CG ASN A 83 -14.149 3.089 -4.744 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.676 3.967 -5.406 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -13.694 3.356 -3.509 1.00 0.00 N ATOM 0 H ASN A 83 -14.725 -0.531 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.178 1.639 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.379 1.088 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.364 1.618 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.789 4.295 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.254 2.620 -2.957 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.270 -1.062 -6.843 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.180 -1.564 -8.233 1.00 0.00 C ATOM 1295 C GLY A 84 -13.698 -1.219 -8.562 1.00 0.00 C ATOM 1296 O GLY A 84 -13.272 -0.889 -9.632 1.00 0.00 O ATOM 0 H GLY A 84 -15.344 -1.739 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.382 -2.633 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.881 -1.063 -8.901 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.024 -1.362 -7.391 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.632 -1.113 -7.252 1.00 0.00 C ATOM 1302 C LYS A 85 -10.622 -2.059 -7.827 1.00 0.00 C ATOM 1303 O LYS A 85 -10.115 -1.643 -8.882 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.384 -1.021 -5.708 1.00 0.00 C ATOM 1305 CG LYS A 85 -9.914 -0.830 -5.401 1.00 0.00 C ATOM 1306 CD LYS A 85 -9.543 0.670 -5.379 1.00 0.00 C ATOM 1307 CE LYS A 85 -9.775 1.300 -4.023 1.00 0.00 C ATOM 1308 NZ LYS A 85 -8.873 2.447 -3.821 1.00 0.00 N ATOM 0 H LYS A 85 -13.473 -1.660 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.456 -0.221 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.956 -0.191 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.744 -1.929 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.679 -1.281 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.313 -1.346 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.495 0.787 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.132 1.199 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.812 1.627 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.611 0.560 -3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.048 2.865 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.885 2.126 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.048 3.160 -4.557 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.388 -3.176 -7.144 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.382 -4.093 -7.649 1.00 0.00 C ATOM 1324 C GLU A 86 -7.985 -3.590 -7.161 1.00 0.00 C ATOM 1325 O GLU A 86 -7.204 -3.317 -8.041 1.00 0.00 O ATOM 1326 CB GLU A 86 -9.339 -4.333 -9.124 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.576 -5.031 -9.757 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.433 -5.066 -11.255 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -10.324 -4.063 -11.952 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.421 -6.175 -11.769 1.00 0.00 O ATOM 0 H GLU A 86 -10.857 -3.456 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.664 -5.067 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.200 -3.373 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.459 -4.937 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.671 -6.045 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.486 -4.498 -9.482 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.949 -3.570 -5.838 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.727 -3.128 -5.174 1.00 0.00 C ATOM 1339 C LEU A 87 -5.800 -4.256 -4.876 1.00 0.00 C ATOM 1340 O LEU A 87 -5.571 -4.651 -3.749 1.00 0.00 O ATOM 1341 CB LEU A 87 -7.111 -2.251 -3.955 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.915 -1.616 -3.210 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -5.659 -0.217 -3.823 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.101 -1.451 -1.721 1.00 0.00 C ATOM 0 H LEU A 87 -8.715 -3.842 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.141 -2.502 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.774 -1.455 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.677 -2.861 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.079 -2.304 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.818 0.255 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.430 -0.321 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.549 0.401 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.208 -0.998 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.961 -0.809 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.268 -2.427 -1.265 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.291 -4.740 -6.006 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.347 -5.858 -5.943 1.00 0.00 C ATOM 1358 C ILE A 88 -3.039 -5.138 -5.483 1.00 0.00 C ATOM 1359 O ILE A 88 -3.091 -3.948 -5.290 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.300 -6.353 -7.371 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.694 -6.799 -7.851 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.271 -7.405 -7.754 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.858 -7.024 -9.354 1.00 0.00 C ATOM 0 H ILE A 88 -5.503 -4.395 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.558 -6.704 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.947 -5.462 -7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.952 -7.725 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.419 -6.048 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.374 -7.647 -8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.269 -7.019 -7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.431 -8.304 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.881 -7.335 -9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.642 -6.098 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.168 -7.801 -9.683 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.998 -5.954 -5.357 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.661 -5.558 -4.936 1.00 0.00 C ATOM 1377 C ALA A 89 0.274 -6.573 -5.507 1.00 0.00 C ATOM 1378 O ALA A 89 0.876 -7.384 -4.857 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.555 -5.513 -3.384 1.00 0.00 C ATOM 0 H ALA A 89 -2.067 -6.952 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.418 -4.556 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.453 -5.215 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.272 -4.793 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.771 -6.500 -2.976 1.00 0.00 H new ATOM 1385 N VAL A 90 0.350 -6.458 -6.832 1.00 0.00 N ATOM 1386 CA VAL A 90 1.235 -7.392 -7.463 1.00 0.00 C ATOM 1387 C VAL A 90 2.652 -6.918 -7.109 1.00 0.00 C ATOM 1388 O VAL A 90 2.855 -5.693 -7.181 1.00 0.00 O ATOM 1389 CB VAL A 90 1.191 -7.292 -8.980 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.418 -8.016 -9.586 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -0.006 -7.944 -9.635 1.00 0.00 C ATOM 0 H VAL A 90 -0.142 -5.793 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 90 0.964 -8.398 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 90 1.158 -6.220 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.384 -7.943 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.333 -7.550 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.403 -9.066 -9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.057 -7.817 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.018 -9.007 -9.394 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.920 -7.478 -9.268 1.00 0.00 H new ATOM 1401 N ARG A 91 3.549 -7.862 -6.754 1.00 0.00 N ATOM 1402 CA ARG A 91 4.808 -7.291 -6.459 1.00 0.00 C ATOM 1403 C ARG A 91 5.865 -8.303 -6.039 1.00 0.00 C ATOM 1404 O ARG A 91 5.518 -9.386 -5.690 1.00 0.00 O ATOM 1405 CB ARG A 91 4.796 -6.318 -5.236 1.00 0.00 C ATOM 1406 CG ARG A 91 5.872 -5.260 -5.262 1.00 0.00 C ATOM 1407 CD ARG A 91 6.067 -4.480 -6.568 1.00 0.00 C ATOM 1408 NE ARG A 91 7.468 -4.560 -6.977 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.781 -4.175 -8.210 1.00 0.00 C ATOM 1410 NH1 ARG A 91 6.873 -3.723 -9.075 1.00 0.00 N ATOM 1411 NH2 ARG A 91 9.035 -4.224 -8.652 1.00 0.00 N ATOM 0 H ARG A 91 3.429 -8.872 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 91 5.035 -6.795 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.824 -5.827 -5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.902 -6.903 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.657 -4.542 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.819 -5.737 -5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.425 -4.889 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.776 -3.439 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 91 8.184 -4.901 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.893 -3.662 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.159 -3.438 -10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.778 -4.562 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.253 -3.924 -9.602 1.00 0.00 H new ATOM 1425 N GLU A 92 7.085 -7.754 -6.151 1.00 0.00 N ATOM 1426 CA GLU A 92 8.220 -8.529 -5.778 1.00 0.00 C ATOM 1427 C GLU A 92 9.308 -7.496 -5.346 1.00 0.00 C ATOM 1428 O GLU A 92 9.255 -6.373 -5.811 1.00 0.00 O ATOM 1429 CB GLU A 92 8.674 -9.223 -7.045 1.00 0.00 C ATOM 1430 CG GLU A 92 8.333 -8.513 -8.375 1.00 0.00 C ATOM 1431 CD GLU A 92 9.674 -8.304 -9.094 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.321 -9.316 -9.315 1.00 0.00 O ATOM 1433 OE2 GLU A 92 9.994 -7.142 -9.386 1.00 0.00 O ATOM 0 H GLU A 92 7.281 -6.811 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 92 8.027 -9.251 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.755 -9.354 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.233 -10.219 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.656 -9.118 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.834 -7.561 -8.193 1.00 0.00 H new ATOM 1440 N ILE A 93 10.153 -8.076 -4.500 1.00 0.00 N ATOM 1441 CA ILE A 93 11.271 -7.290 -3.980 1.00 0.00 C ATOM 1442 C ILE A 93 12.092 -6.735 -5.139 1.00 0.00 C ATOM 1443 O ILE A 93 12.997 -7.462 -5.549 1.00 0.00 O ATOM 1444 CB ILE A 93 12.138 -8.046 -2.969 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.207 -8.720 -1.937 1.00 0.00 C ATOM 1446 CG2 ILE A 93 13.001 -7.115 -2.151 1.00 0.00 C ATOM 1447 CD1 ILE A 93 10.003 -7.870 -1.531 1.00 0.00 C ATOM 0 H ILE A 93 10.095 -9.040 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 93 10.848 -6.460 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 93 12.755 -8.742 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.849 -9.664 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.785 -8.960 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.598 -7.696 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.662 -6.556 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.367 -6.420 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.401 -8.416 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.350 -6.937 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.399 -7.651 -2.411 1.00 0.00 H new ATOM 1459 N SER A 94 11.664 -5.539 -5.500 1.00 0.00 N ATOM 1460 CA SER A 94 12.313 -4.825 -6.590 1.00 0.00 C ATOM 1461 C SER A 94 13.790 -5.099 -6.751 1.00 0.00 C ATOM 1462 O SER A 94 14.243 -5.565 -7.788 1.00 0.00 O ATOM 1463 CB SER A 94 11.927 -3.325 -6.517 1.00 0.00 C ATOM 1464 OG SER A 94 12.739 -2.573 -7.360 1.00 0.00 O ATOM 0 H SER A 94 10.884 -5.046 -5.065 1.00 0.00 H new ATOM 0 HA SER A 94 11.928 -5.227 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.882 -3.198 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.026 -2.967 -5.492 1.00 0.00 H new ATOM 0 HG SER A 94 12.483 -1.629 -7.304 1.00 0.00 H new ATOM 1470 N GLY A 95 14.541 -4.801 -5.686 1.00 0.00 N ATOM 1471 CA GLY A 95 15.989 -5.063 -5.807 1.00 0.00 C ATOM 1472 C GLY A 95 16.351 -5.704 -4.436 1.00 0.00 C ATOM 1473 O GLY A 95 16.434 -6.893 -4.200 1.00 0.00 O ATOM 0 H GLY A 95 14.215 -4.412 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.208 -5.736 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.551 -4.146 -5.983 1.00 0.00 H new ATOM 1477 N ASN A 96 16.548 -4.686 -3.558 1.00 0.00 N ATOM 1478 CA ASN A 96 16.898 -4.933 -2.182 1.00 0.00 C ATOM 1479 C ASN A 96 15.893 -4.094 -1.350 1.00 0.00 C ATOM 1480 O ASN A 96 16.237 -3.714 -0.227 1.00 0.00 O ATOM 1481 CB ASN A 96 18.315 -4.371 -2.039 1.00 0.00 C ATOM 1482 CG ASN A 96 19.170 -5.332 -1.208 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.984 -5.445 -0.024 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.064 -5.947 -2.012 1.00 0.00 N ATOM 0 H ASN A 96 16.465 -3.699 -3.802 1.00 0.00 H new ATOM 0 HA ASN A 96 16.864 -5.976 -1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.762 -4.230 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.282 -3.392 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 96 20.717 -6.627 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.087 -5.731 -3.009 1.00 0.00 H new ATOM 1491 N GLU A 97 14.790 -3.936 -2.055 1.00 0.00 N ATOM 1492 CA GLU A 97 13.667 -3.199 -1.557 1.00 0.00 C ATOM 1493 C GLU A 97 12.450 -3.566 -2.466 1.00 0.00 C ATOM 1494 O GLU A 97 12.674 -4.087 -3.533 1.00 0.00 O ATOM 1495 CB GLU A 97 13.853 -1.712 -1.345 1.00 0.00 C ATOM 1496 CG GLU A 97 15.165 -1.188 -1.962 1.00 0.00 C ATOM 1497 CD GLU A 97 15.263 -1.559 -3.432 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.236 -1.440 -4.090 1.00 0.00 O ATOM 1499 OE2 GLU A 97 16.371 -1.940 -3.806 1.00 0.00 O ATOM 0 H GLU A 97 14.656 -4.320 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 97 13.499 -3.504 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.010 -1.177 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.846 -1.497 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.215 -0.105 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.016 -1.602 -1.421 1.00 0.00 H new ATOM 1506 N LEU A 98 11.325 -3.215 -1.849 1.00 0.00 N ATOM 1507 CA LEU A 98 10.024 -3.419 -2.423 1.00 0.00 C ATOM 1508 C LEU A 98 9.328 -2.061 -2.684 1.00 0.00 C ATOM 1509 O LEU A 98 9.383 -1.186 -1.835 1.00 0.00 O ATOM 1510 CB LEU A 98 9.301 -4.252 -1.349 1.00 0.00 C ATOM 1511 CG LEU A 98 7.989 -4.863 -1.820 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.169 -5.638 -3.096 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.551 -5.945 -0.796 1.00 0.00 C ATOM 0 H LEU A 98 11.305 -2.778 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 98 10.038 -3.918 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.964 -5.051 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.105 -3.619 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 98 7.281 -4.043 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.212 -6.060 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.540 -4.973 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.886 -6.443 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.611 -6.393 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.318 -6.717 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.416 -5.486 0.183 1.00 0.00 H new ATOM 1525 N ILE A 99 8.727 -2.045 -3.887 1.00 0.00 N ATOM 1526 CA ILE A 99 8.026 -0.918 -4.374 1.00 0.00 C ATOM 1527 C ILE A 99 6.588 -1.025 -3.801 1.00 0.00 C ATOM 1528 O ILE A 99 6.332 -0.073 -3.106 1.00 0.00 O ATOM 1529 CB ILE A 99 7.976 -1.133 -5.908 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.385 -0.780 -6.423 1.00 0.00 C ATOM 1531 CG2 ILE A 99 6.980 -0.194 -6.543 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.495 -0.536 -7.905 1.00 0.00 C ATOM 0 H ILE A 99 8.733 -2.838 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 99 8.469 0.042 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 99 7.681 -2.154 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.731 0.112 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.063 -1.590 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.959 -0.360 -7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.989 -0.379 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.271 0.837 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.528 -0.296 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.188 -1.432 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.850 0.296 -8.186 1.00 0.00 H new ATOM 1544 N GLN A 100 5.908 -2.123 -4.168 1.00 0.00 N ATOM 1545 CA GLN A 100 4.553 -2.440 -3.758 1.00 0.00 C ATOM 1546 C GLN A 100 3.686 -1.690 -4.815 1.00 0.00 C ATOM 1547 O GLN A 100 3.388 -0.511 -4.697 1.00 0.00 O ATOM 1548 CB GLN A 100 4.263 -1.930 -2.358 1.00 0.00 C ATOM 1549 CG GLN A 100 3.614 -2.834 -1.326 1.00 0.00 C ATOM 1550 CD GLN A 100 4.629 -3.948 -0.922 1.00 0.00 C ATOM 1551 OE1 GLN A 100 4.658 -5.029 -1.462 1.00 0.00 O ATOM 1552 NE2 GLN A 100 5.405 -3.475 0.074 1.00 0.00 N ATOM 0 H GLN A 100 6.311 -2.832 -4.780 1.00 0.00 H new ATOM 0 HA GLN A 100 4.359 -3.512 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.209 -1.590 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.626 -1.051 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.320 -2.256 -0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.706 -3.280 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.259 -2.530 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.138 -4.062 0.472 1.00 0.00 H new ATOM 1561 N THR A 101 3.337 -2.508 -5.809 1.00 0.00 N ATOM 1562 CA THR A 101 2.537 -2.089 -6.905 1.00 0.00 C ATOM 1563 C THR A 101 1.096 -2.570 -6.799 1.00 0.00 C ATOM 1564 O THR A 101 0.755 -3.677 -7.112 1.00 0.00 O ATOM 1565 CB THR A 101 2.995 -2.529 -8.307 1.00 0.00 C ATOM 1566 OG1 THR A 101 3.785 -3.672 -8.367 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.670 -1.450 -9.175 1.00 0.00 C ATOM 0 H THR A 101 3.618 -3.488 -5.854 1.00 0.00 H new ATOM 0 HA THR A 101 2.640 -1.007 -6.821 1.00 0.00 H new ATOM 0 HB THR A 101 2.015 -2.756 -8.728 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.242 -4.457 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.948 -1.879 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.977 -0.624 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.563 -1.083 -8.670 1.00 0.00 H new ATOM 1575 N TYR A 102 0.375 -1.566 -6.318 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.058 -1.823 -6.134 1.00 0.00 C ATOM 1577 C TYR A 102 -1.642 -1.888 -7.564 1.00 0.00 C ATOM 1578 O TYR A 102 -1.921 -0.823 -8.065 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.731 -0.659 -5.453 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.418 -0.427 -4.005 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.696 -1.449 -3.099 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.883 0.695 -3.462 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.450 -1.356 -1.751 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.652 0.755 -2.100 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.970 -0.330 -1.313 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.746 -0.287 0.057 1.00 0.00 O ATOM 0 H TYR A 102 0.715 -0.638 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.209 -2.723 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.473 0.247 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.809 -0.792 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.128 -2.364 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.638 1.538 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.679 -2.181 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.227 1.644 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.285 0.546 0.287 1.00 0.00 H new ATOM 1596 N THR A 103 -1.756 -3.134 -8.073 1.00 0.00 N ATOM 1597 CA THR A 103 -2.307 -3.284 -9.438 1.00 0.00 C ATOM 1598 C THR A 103 -3.722 -2.760 -9.234 1.00 0.00 C ATOM 1599 O THR A 103 -4.428 -3.107 -8.310 1.00 0.00 O ATOM 1600 CB THR A 103 -2.196 -4.708 -9.919 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.118 -4.926 -10.808 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.436 -5.217 -10.685 1.00 0.00 C ATOM 0 H THR A 103 -1.494 -3.998 -7.598 1.00 0.00 H new ATOM 0 HA THR A 103 -1.787 -2.747 -10.231 1.00 0.00 H new ATOM 0 HB THR A 103 -2.062 -5.245 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.103 -5.868 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.273 -6.249 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.310 -5.167 -10.036 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.601 -4.595 -11.565 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.050 -1.872 -10.222 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.379 -1.309 -10.113 1.00 0.00 C ATOM 1612 C TYR A 104 -5.942 -0.722 -11.363 1.00 0.00 C ATOM 1613 O TYR A 104 -5.286 -0.168 -12.253 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.260 -0.273 -8.958 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.352 0.705 -8.861 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.587 0.239 -8.416 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.275 2.040 -9.173 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.643 1.133 -8.311 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.383 2.868 -9.044 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.546 2.291 -8.592 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.642 3.103 -8.457 1.00 0.00 O ATOM 0 H TYR A 104 -3.471 -1.573 -11.007 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.105 -2.097 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.198 -0.815 -8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.322 0.269 -9.077 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.720 -0.801 -8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.340 2.452 -9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.596 0.766 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.333 3.919 -9.288 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.287 2.902 -9.167 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.264 -0.862 -11.433 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.103 -0.406 -12.508 1.00 0.00 C ATOM 1633 C GLU A 105 -7.583 -0.660 -13.915 1.00 0.00 C ATOM 1634 O GLU A 105 -7.887 0.084 -14.847 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.404 1.091 -12.269 1.00 0.00 C ATOM 1636 CG GLU A 105 -9.837 1.152 -11.700 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.375 2.556 -11.580 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -9.978 3.477 -12.323 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.240 2.782 -10.707 1.00 0.00 O ATOM 0 H GLU A 105 -7.795 -1.324 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.011 -1.008 -12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.688 1.526 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.329 1.657 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.500 0.571 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.850 0.681 -10.717 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.781 -1.745 -14.072 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.279 -2.003 -15.398 1.00 0.00 C ATOM 1648 C GLY A 106 -4.893 -1.488 -15.701 1.00 0.00 C ATOM 1649 O GLY A 106 -4.468 -1.542 -16.856 1.00 0.00 O ATOM 0 H GLY A 106 -6.498 -2.398 -13.341 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.287 -3.080 -15.563 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.971 -1.565 -16.117 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.212 -0.989 -14.644 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.887 -0.477 -14.854 1.00 0.00 C ATOM 1655 C VAL A 107 -1.891 -1.012 -13.859 1.00 0.00 C ATOM 1656 O VAL A 107 -2.127 -2.041 -13.255 1.00 0.00 O ATOM 1657 CB VAL A 107 -2.973 1.065 -14.726 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.041 1.728 -15.718 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.363 1.613 -15.001 1.00 0.00 C ATOM 0 H VAL A 107 -4.560 -0.941 -13.686 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.537 -0.790 -15.837 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.699 1.286 -13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.112 2.811 -15.616 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.016 1.412 -15.522 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.322 1.439 -16.731 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.354 2.698 -14.895 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.664 1.350 -16.015 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.070 1.185 -14.291 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.777 -0.260 -13.727 1.00 0.00 N ATOM 1670 CA GLU A 108 0.224 -0.737 -12.762 1.00 0.00 C ATOM 1671 C GLU A 108 0.722 0.500 -12.006 1.00 0.00 C ATOM 1672 O GLU A 108 1.643 1.164 -12.465 1.00 0.00 O ATOM 1673 CB GLU A 108 1.310 -1.483 -13.502 1.00 0.00 C ATOM 1674 CG GLU A 108 0.757 -2.905 -13.787 1.00 0.00 C ATOM 1675 CD GLU A 108 1.831 -3.936 -13.958 1.00 0.00 C ATOM 1676 OE1 GLU A 108 2.990 -3.617 -13.803 1.00 0.00 O ATOM 1677 OE2 GLU A 108 1.460 -5.074 -14.261 1.00 0.00 O ATOM 0 H GLU A 108 -0.561 0.602 -14.228 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.178 -1.445 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.566 -0.974 -14.431 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.221 -1.534 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.103 -3.204 -12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.145 -2.875 -14.688 1.00 0.00 H new ATOM 1684 N ALA A 109 0.064 0.746 -10.846 1.00 0.00 N ATOM 1685 CA ALA A 109 0.485 1.873 -10.105 1.00 0.00 C ATOM 1686 C ALA A 109 1.309 1.430 -8.860 1.00 0.00 C ATOM 1687 O ALA A 109 1.034 0.351 -8.374 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.775 2.371 -9.363 1.00 0.00 C ATOM 0 H ALA A 109 -0.704 0.199 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 109 1.007 2.552 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.523 3.247 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.544 2.636 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.149 1.582 -8.710 1.00 0.00 H new ATOM 1694 N LYS A 110 2.208 2.344 -8.520 1.00 0.00 N ATOM 1695 CA LYS A 110 3.017 2.031 -7.387 1.00 0.00 C ATOM 1696 C LYS A 110 3.387 3.286 -6.630 1.00 0.00 C ATOM 1697 O LYS A 110 3.025 4.385 -7.058 1.00 0.00 O ATOM 1698 CB LYS A 110 4.345 1.378 -7.854 1.00 0.00 C ATOM 1699 CG LYS A 110 4.497 1.588 -9.359 1.00 0.00 C ATOM 1700 CD LYS A 110 5.782 0.948 -9.928 1.00 0.00 C ATOM 1701 CE LYS A 110 6.529 1.824 -10.932 1.00 0.00 C ATOM 1702 NZ LYS A 110 5.760 2.108 -12.157 1.00 0.00 N ATOM 0 H LYS A 110 2.378 3.238 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 110 2.445 1.357 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.189 1.820 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.344 0.313 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.631 1.167 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.504 2.657 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.452 0.710 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.522 0.005 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.793 2.767 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.463 1.333 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.327 2.706 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.529 1.215 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.881 2.604 -11.908 1.00 0.00 H new ATOM 1716 N ARG A 111 4.102 2.962 -5.542 1.00 0.00 N ATOM 1717 CA ARG A 111 4.551 4.064 -4.677 1.00 0.00 C ATOM 1718 C ARG A 111 5.908 3.476 -4.179 1.00 0.00 C ATOM 1719 O ARG A 111 5.905 2.570 -3.375 1.00 0.00 O ATOM 1720 CB ARG A 111 3.650 4.367 -3.518 1.00 0.00 C ATOM 1721 CG ARG A 111 4.325 5.308 -2.494 1.00 0.00 C ATOM 1722 CD ARG A 111 4.186 6.753 -2.937 1.00 0.00 C ATOM 1723 NE ARG A 111 5.110 7.545 -2.149 1.00 0.00 N ATOM 1724 CZ ARG A 111 5.450 8.791 -2.495 1.00 0.00 C ATOM 1725 NH1 ARG A 111 4.935 9.343 -3.602 1.00 0.00 N ATOM 1726 NH2 ARG A 111 6.301 9.541 -1.791 1.00 0.00 N ATOM 0 H ARG A 111 4.367 2.020 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 111 4.589 5.020 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.731 4.826 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.367 3.437 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.869 5.176 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.379 5.051 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.408 6.851 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.163 7.101 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 111 5.513 7.139 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.284 8.813 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.194 10.294 -3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.727 9.169 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.525 10.486 -2.102 1.00 0.00 H new ATOM 1740 N ILE A 112 6.963 4.098 -4.753 1.00 0.00 N ATOM 1741 CA ILE A 112 8.228 3.580 -4.314 1.00 0.00 C ATOM 1742 C ILE A 112 8.426 3.650 -2.794 1.00 0.00 C ATOM 1743 O ILE A 112 8.157 4.697 -2.229 1.00 0.00 O ATOM 1744 CB ILE A 112 9.383 4.195 -5.104 1.00 0.00 C ATOM 1745 CG1 ILE A 112 10.737 3.647 -4.641 1.00 0.00 C ATOM 1746 CG2 ILE A 112 9.440 5.691 -4.908 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.901 3.885 -5.622 1.00 0.00 C ATOM 0 H ILE A 112 6.957 4.859 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 112 8.223 2.513 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 112 9.201 3.941 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.989 4.102 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.639 2.575 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.271 6.102 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.507 6.139 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.583 5.914 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.817 3.463 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.678 3.405 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.033 4.956 -5.777 1.00 0.00 H new ATOM 1759 N PHE A 113 8.879 2.483 -2.381 1.00 0.00 N ATOM 1760 CA PHE A 113 9.184 2.191 -1.022 1.00 0.00 C ATOM 1761 C PHE A 113 10.485 1.343 -1.100 1.00 0.00 C ATOM 1762 O PHE A 113 10.903 1.041 -2.199 1.00 0.00 O ATOM 1763 CB PHE A 113 8.164 1.323 -0.276 1.00 0.00 C ATOM 1764 CG PHE A 113 6.895 2.025 0.042 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.830 3.396 0.217 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.671 1.396 0.193 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.646 4.093 0.515 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.546 2.155 0.490 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.590 3.535 0.645 1.00 0.00 C ATOM 0 H PHE A 113 9.045 1.699 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 113 9.229 3.136 -0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.940 0.443 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.613 0.967 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.743 3.964 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.591 0.325 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.687 5.166 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.598 1.651 0.605 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.695 4.093 0.877 1.00 0.00 H new ATOM 1779 N LYS A 114 10.940 1.073 0.114 1.00 0.00 N ATOM 1780 CA LYS A 114 12.144 0.278 0.240 1.00 0.00 C ATOM 1781 C LYS A 114 12.256 -0.349 1.639 1.00 0.00 C ATOM 1782 O LYS A 114 11.311 -0.570 2.345 1.00 0.00 O ATOM 1783 CB LYS A 114 13.355 1.069 -0.219 1.00 0.00 C ATOM 1784 CG LYS A 114 13.728 2.323 0.582 1.00 0.00 C ATOM 1785 CD LYS A 114 12.700 2.713 1.646 1.00 0.00 C ATOM 1786 CE LYS A 114 13.008 4.028 2.409 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.181 5.184 1.574 1.00 0.00 N ATOM 0 H LYS A 114 10.514 1.378 0.989 1.00 0.00 H new ATOM 0 HA LYS A 114 12.093 -0.578 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.215 0.399 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.189 1.368 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.691 2.159 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.855 3.157 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.725 2.808 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.623 1.901 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.197 4.223 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.913 3.885 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.349 6.020 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.995 5.038 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.324 5.332 1.004 1.00 0.00 H new ATOM 1801 N LYS A 115 13.496 -0.622 1.981 1.00 0.00 N ATOM 1802 CA LYS A 115 13.914 -1.218 3.242 1.00 0.00 C ATOM 1803 C LYS A 115 14.648 -0.239 4.101 1.00 0.00 C ATOM 1804 O LYS A 115 14.746 0.943 3.809 1.00 0.00 O ATOM 1805 CB LYS A 115 14.757 -2.427 2.821 1.00 0.00 C ATOM 1806 CG LYS A 115 14.458 -3.637 3.744 1.00 0.00 C ATOM 1807 CD LYS A 115 15.772 -4.387 4.007 1.00 0.00 C ATOM 1808 CE LYS A 115 15.571 -5.714 4.716 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.724 -6.577 4.826 1.00 0.00 N ATOM 0 H LYS A 115 14.282 -0.427 1.361 1.00 0.00 H new ATOM 0 HA LYS A 115 13.077 -1.524 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.540 -2.688 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.816 -2.176 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.021 -3.298 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.731 -4.300 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.279 -4.562 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.428 -3.757 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.203 -5.509 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.786 -6.262 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.459 -7.448 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.070 -6.817 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.475 -6.088 5.354 1.00 0.00 H new ATOM 1823 N GLU A 116 15.143 -0.873 5.179 1.00 0.00 N ATOM 1824 CA GLU A 116 15.892 -0.175 6.171 1.00 0.00 C ATOM 1825 C GLU A 116 17.315 -0.790 6.345 1.00 0.00 C ATOM 1826 O GLU A 116 17.484 -1.785 7.043 1.00 0.00 O ATOM 1827 CB GLU A 116 15.150 -0.265 7.519 1.00 0.00 C ATOM 1828 CG GLU A 116 14.807 1.051 8.174 1.00 0.00 C ATOM 1829 CD GLU A 116 15.987 1.511 9.085 1.00 0.00 C ATOM 1830 OE1 GLU A 116 17.106 1.361 8.629 1.00 0.00 O ATOM 1831 OE2 GLU A 116 15.684 1.981 10.175 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.261 -0.268 5.774 1.00 0.00 O ATOM 0 H GLU A 116 15.023 -1.869 5.362 1.00 0.00 H new ATOM 0 HA GLU A 116 15.996 0.862 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.227 -0.824 7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.762 -0.844 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.608 1.805 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.898 0.947 8.766 1.00 0.00 H new TER 1839 GLU A 116