USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 180:sc= -0.326 USER MOD Set 1.2: A 41 TYR OH : rot 130:sc= -1.86 USER MOD Set 1.3: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 0.974 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00225 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0794 USER MOD Single : A 17 ASN : amide:sc=-0.00447 X(o=-0.0045,f=-0.36) USER MOD Single : A 18 ASN :FLIP amide:sc= -6.73! C(o=-8.8!,f=-6.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0.136 (180deg=0.0452) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 11:sc= -0.37 USER MOD Single : A 37 SER OG : rot -173:sc= 0.538 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0188) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc=0.000721 (180deg=-0.00516) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.17! C(o=-3.2!,f=-6.4!) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000112) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.033) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 1.08 (180deg=1) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -2.44 F(o=-3.5,f=-2.4) USER MOD Single : A 78 ASN : amide:sc= -4.96! C(o=-5!,f=-19!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 81 GLN : amide:sc= -0.0451 K(o=-0.045,f=-0.56) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00266) USER MOD Single : A 90 GLN : amide:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 95 CYS SG : rot 180:sc= -1.65 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.245 F(o=-0.77,f=-0.25) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -59:sc= -0.686 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.262 30.982 -3.799 1.00 0.00 N ATOM 2 CA GLY A 1 8.522 30.577 -3.203 1.00 0.00 C ATOM 3 C GLY A 1 8.744 29.079 -3.279 1.00 0.00 C ATOM 4 O GLY A 1 8.960 28.531 -4.360 1.00 0.00 O ATOM 0 H1 GLY A 1 7.157 32.014 -3.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.248 30.707 -4.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.477 30.516 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.341 31.089 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.545 30.892 -2.160 1.00 0.00 H new ATOM 8 N SER A 2 8.694 28.415 -2.129 1.00 0.00 N ATOM 9 CA SER A 2 8.897 26.973 -2.069 1.00 0.00 C ATOM 10 C SER A 2 8.021 26.345 -0.988 1.00 0.00 C ATOM 11 O SER A 2 7.628 27.009 -0.029 1.00 0.00 O ATOM 12 CB SER A 2 10.368 26.654 -1.798 1.00 0.00 C ATOM 13 OG SER A 2 10.842 27.359 -0.664 1.00 0.00 O ATOM 0 H SER A 2 8.514 28.853 -1.226 1.00 0.00 H new ATOM 0 HA SER A 2 8.613 26.551 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.488 25.582 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.967 26.917 -2.670 1.00 0.00 H new ATOM 0 HG SER A 2 11.784 27.137 -0.511 1.00 0.00 H new ATOM 19 N SER A 3 7.720 25.061 -1.152 1.00 0.00 N ATOM 20 CA SER A 3 6.888 24.343 -0.193 1.00 0.00 C ATOM 21 C SER A 3 6.992 22.836 -0.405 1.00 0.00 C ATOM 22 O SER A 3 7.324 22.373 -1.495 1.00 0.00 O ATOM 23 CB SER A 3 5.430 24.788 -0.317 1.00 0.00 C ATOM 24 OG SER A 3 5.161 25.896 0.524 1.00 0.00 O ATOM 0 H SER A 3 8.039 24.497 -1.939 1.00 0.00 H new ATOM 0 HA SER A 3 7.247 24.577 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.214 25.053 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.771 23.960 -0.055 1.00 0.00 H new ATOM 0 HG SER A 3 5.923 26.512 0.507 1.00 0.00 H new ATOM 30 N GLY A 4 6.703 22.075 0.647 1.00 0.00 N ATOM 31 CA GLY A 4 6.770 20.628 0.556 1.00 0.00 C ATOM 32 C GLY A 4 7.436 20.002 1.765 1.00 0.00 C ATOM 33 O GLY A 4 7.132 20.356 2.904 1.00 0.00 O ATOM 0 H GLY A 4 6.424 22.435 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.762 20.226 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.319 20.348 -0.343 1.00 0.00 H new ATOM 37 N SER A 5 8.348 19.067 1.517 1.00 0.00 N ATOM 38 CA SER A 5 9.056 18.385 2.595 1.00 0.00 C ATOM 39 C SER A 5 10.292 17.666 2.063 1.00 0.00 C ATOM 40 O SER A 5 10.537 17.638 0.857 1.00 0.00 O ATOM 41 CB SER A 5 8.129 17.385 3.290 1.00 0.00 C ATOM 42 OG SER A 5 8.515 17.184 4.638 1.00 0.00 O ATOM 0 H SER A 5 8.614 18.764 0.580 1.00 0.00 H new ATOM 0 HA SER A 5 9.377 19.135 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.102 17.749 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.149 16.434 2.757 1.00 0.00 H new ATOM 0 HG SER A 5 7.906 16.543 5.060 1.00 0.00 H new ATOM 48 N SER A 6 11.067 17.084 2.973 1.00 0.00 N ATOM 49 CA SER A 6 12.280 16.367 2.597 1.00 0.00 C ATOM 50 C SER A 6 12.219 14.915 3.062 1.00 0.00 C ATOM 51 O SER A 6 12.509 13.995 2.299 1.00 0.00 O ATOM 52 CB SER A 6 13.509 17.054 3.195 1.00 0.00 C ATOM 53 OG SER A 6 13.381 17.199 4.599 1.00 0.00 O ATOM 0 H SER A 6 10.877 17.095 3.975 1.00 0.00 H new ATOM 0 HA SER A 6 12.358 16.379 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.402 16.472 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.641 18.034 2.736 1.00 0.00 H new ATOM 0 HG SER A 6 14.180 17.639 4.957 1.00 0.00 H new ATOM 59 N GLY A 7 11.839 14.719 4.321 1.00 0.00 N ATOM 60 CA GLY A 7 11.747 13.377 4.868 1.00 0.00 C ATOM 61 C GLY A 7 10.522 12.633 4.374 1.00 0.00 C ATOM 62 O GLY A 7 10.177 12.705 3.194 1.00 0.00 O ATOM 0 H GLY A 7 11.593 15.465 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.642 12.816 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.720 13.432 5.956 1.00 0.00 H new ATOM 66 N VAL A 8 9.863 11.915 5.278 1.00 0.00 N ATOM 67 CA VAL A 8 8.670 11.154 4.928 1.00 0.00 C ATOM 68 C VAL A 8 7.553 12.074 4.449 1.00 0.00 C ATOM 69 O VAL A 8 7.512 13.253 4.800 1.00 0.00 O ATOM 70 CB VAL A 8 8.161 10.327 6.123 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.846 11.232 7.304 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.941 9.511 5.725 1.00 0.00 C ATOM 0 H VAL A 8 10.135 11.845 6.258 1.00 0.00 H new ATOM 0 HA VAL A 8 8.952 10.477 4.121 1.00 0.00 H new ATOM 0 HB VAL A 8 8.948 9.636 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.488 10.629 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.747 11.767 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.077 11.949 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.595 8.933 6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.147 10.181 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.205 8.834 4.913 1.00 0.00 H new ATOM 82 N ILE A 9 6.647 11.526 3.645 1.00 0.00 N ATOM 83 CA ILE A 9 5.528 12.297 3.118 1.00 0.00 C ATOM 84 C ILE A 9 4.238 11.974 3.865 1.00 0.00 C ATOM 85 O ILE A 9 3.440 12.864 4.160 1.00 0.00 O ATOM 86 CB ILE A 9 5.319 12.032 1.616 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.597 12.349 0.836 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.153 12.856 1.089 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.471 12.112 -0.652 1.00 0.00 C ATOM 0 H ILE A 9 6.666 10.551 3.345 1.00 0.00 H new ATOM 0 HA ILE A 9 5.774 13.349 3.261 1.00 0.00 H new ATOM 0 HB ILE A 9 5.084 10.976 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.869 13.390 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.412 11.738 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.018 12.657 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.244 12.586 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.360 13.916 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.414 12.357 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.229 11.065 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.679 12.743 -1.055 1.00 0.00 H new ATOM 101 N ARG A 10 4.042 10.695 4.169 1.00 0.00 N ATOM 102 CA ARG A 10 2.849 10.254 4.882 1.00 0.00 C ATOM 103 C ARG A 10 3.096 8.921 5.582 1.00 0.00 C ATOM 104 O ARG A 10 3.761 8.038 5.040 1.00 0.00 O ATOM 105 CB ARG A 10 1.670 10.124 3.916 1.00 0.00 C ATOM 106 CG ARG A 10 0.350 9.815 4.603 1.00 0.00 C ATOM 107 CD ARG A 10 -0.383 11.087 4.999 1.00 0.00 C ATOM 108 NE ARG A 10 0.096 11.621 6.272 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.105 11.024 7.441 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.772 9.879 7.499 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.361 11.572 8.556 1.00 0.00 N ATOM 0 H ARG A 10 4.693 9.947 3.933 1.00 0.00 H new ATOM 0 HA ARG A 10 2.610 11.003 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.568 11.052 3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.888 9.336 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.279 9.224 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.533 9.208 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.254 11.838 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.451 10.883 5.071 1.00 0.00 H new ATOM 0 HE ARG A 10 0.613 12.500 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.132 9.455 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.925 9.423 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.874 12.453 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.206 11.113 9.453 1.00 0.00 H new ATOM 125 N ARG A 11 2.557 8.783 6.788 1.00 0.00 N ATOM 126 CA ARG A 11 2.720 7.559 7.563 1.00 0.00 C ATOM 127 C ARG A 11 1.426 7.194 8.284 1.00 0.00 C ATOM 128 O ARG A 11 0.588 8.055 8.550 1.00 0.00 O ATOM 129 CB ARG A 11 3.853 7.720 8.578 1.00 0.00 C ATOM 130 CG ARG A 11 5.212 7.960 7.941 1.00 0.00 C ATOM 131 CD ARG A 11 6.344 7.636 8.904 1.00 0.00 C ATOM 132 NE ARG A 11 6.459 8.630 9.968 1.00 0.00 N ATOM 133 CZ ARG A 11 7.510 8.724 10.775 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.530 7.888 10.641 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.541 9.655 11.720 1.00 0.00 N ATOM 0 H ARG A 11 2.003 9.504 7.250 1.00 0.00 H new ATOM 0 HA ARG A 11 2.970 6.753 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.620 8.553 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.905 6.825 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.308 7.347 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.288 9.000 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.176 6.653 9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.284 7.583 8.354 1.00 0.00 H new ATOM 0 HE ARG A 11 5.690 9.288 10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.509 7.170 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.336 7.963 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.757 10.299 11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.348 9.726 12.339 1.00 0.00 H new ATOM 149 N GLY A 12 1.269 5.912 8.596 1.00 0.00 N ATOM 150 CA GLY A 12 0.074 5.456 9.282 1.00 0.00 C ATOM 151 C GLY A 12 -0.045 3.945 9.297 1.00 0.00 C ATOM 152 O GLY A 12 0.569 3.259 8.480 1.00 0.00 O ATOM 0 H GLY A 12 1.948 5.180 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.083 5.827 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.804 5.882 8.797 1.00 0.00 H new ATOM 156 N TRP A 13 -0.834 3.425 10.230 1.00 0.00 N ATOM 157 CA TRP A 13 -1.030 1.984 10.349 1.00 0.00 C ATOM 158 C TRP A 13 -2.114 1.501 9.392 1.00 0.00 C ATOM 159 O TRP A 13 -3.276 1.893 9.504 1.00 0.00 O ATOM 160 CB TRP A 13 -1.401 1.616 11.787 1.00 0.00 C ATOM 161 CG TRP A 13 -0.294 1.860 12.767 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.130 3.069 13.240 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.530 0.871 13.393 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.169 2.891 14.121 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.432 1.551 14.233 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.592 -0.524 13.327 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.384 0.884 14.999 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.537 -1.185 14.087 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.423 -0.482 14.915 1.00 0.00 C ATOM 0 H TRP A 13 -1.348 3.979 10.915 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.094 1.492 10.085 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.276 2.192 12.088 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.684 0.564 11.824 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.290 4.025 12.962 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.664 3.635 14.612 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.087 -1.075 12.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.067 1.425 15.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.594 -2.263 14.043 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.150 -1.028 15.498 1.00 0.00 H new ATOM 180 N LEU A 14 -1.727 0.647 8.450 1.00 0.00 N ATOM 181 CA LEU A 14 -2.667 0.110 7.472 1.00 0.00 C ATOM 182 C LEU A 14 -2.890 -1.383 7.695 1.00 0.00 C ATOM 183 O LEU A 14 -2.220 -2.006 8.518 1.00 0.00 O ATOM 184 CB LEU A 14 -2.152 0.354 6.053 1.00 0.00 C ATOM 185 CG LEU A 14 -2.495 1.711 5.438 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.603 1.996 4.240 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.962 1.759 5.037 1.00 0.00 C ATOM 0 H LEU A 14 -0.770 0.312 8.343 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.620 0.624 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.068 0.243 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.549 -0.427 5.405 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.318 2.483 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.862 2.966 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.560 2.006 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.746 1.221 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.188 2.732 4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.165 0.977 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.585 1.602 5.917 1.00 0.00 H new ATOM 199 N THR A 15 -3.836 -1.952 6.953 1.00 0.00 N ATOM 200 CA THR A 15 -4.147 -3.371 7.068 1.00 0.00 C ATOM 201 C THR A 15 -4.331 -4.006 5.695 1.00 0.00 C ATOM 202 O THR A 15 -5.236 -3.638 4.947 1.00 0.00 O ATOM 203 CB THR A 15 -5.421 -3.601 7.903 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.173 -3.275 9.275 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.885 -5.045 7.795 1.00 0.00 C ATOM 0 H THR A 15 -4.400 -1.451 6.266 1.00 0.00 H new ATOM 0 HA THR A 15 -3.302 -3.840 7.572 1.00 0.00 H new ATOM 0 HB THR A 15 -6.207 -2.954 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.988 -3.422 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.786 -5.183 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.101 -5.281 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.101 -5.707 8.162 1.00 0.00 H new ATOM 213 N ILE A 16 -3.468 -4.963 5.371 1.00 0.00 N ATOM 214 CA ILE A 16 -3.538 -5.651 4.088 1.00 0.00 C ATOM 215 C ILE A 16 -4.747 -6.577 4.025 1.00 0.00 C ATOM 216 O ILE A 16 -5.068 -7.262 4.996 1.00 0.00 O ATOM 217 CB ILE A 16 -2.262 -6.472 3.819 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.022 -5.586 3.948 1.00 0.00 C ATOM 219 CG2 ILE A 16 -2.324 -7.109 2.439 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.279 -6.353 3.875 1.00 0.00 C ATOM 0 H ILE A 16 -2.713 -5.279 5.979 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.633 -4.881 3.322 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.195 -7.267 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.037 -4.836 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.066 -5.050 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.416 -7.686 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.190 -7.769 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.411 -6.330 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.115 -5.661 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.316 -7.084 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.345 -6.867 2.916 1.00 0.00 H new ATOM 232 N ASN A 17 -5.414 -6.594 2.876 1.00 0.00 N ATOM 233 CA ASN A 17 -6.589 -7.438 2.686 1.00 0.00 C ATOM 234 C ASN A 17 -6.265 -8.627 1.787 1.00 0.00 C ATOM 235 O ASN A 17 -6.821 -9.712 1.952 1.00 0.00 O ATOM 236 CB ASN A 17 -7.734 -6.624 2.081 1.00 0.00 C ATOM 237 CG ASN A 17 -9.096 -7.140 2.503 1.00 0.00 C ATOM 238 OD1 ASN A 17 -9.241 -8.301 2.886 1.00 0.00 O ATOM 239 ND2 ASN A 17 -10.104 -6.278 2.433 1.00 0.00 N ATOM 0 H ASN A 17 -5.161 -6.033 2.062 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.896 -7.816 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.634 -5.581 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.660 -6.650 0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.044 -6.569 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.938 -5.325 2.110 1.00 0.00 H new ATOM 246 N ASN A 18 -5.360 -8.415 0.837 1.00 0.00 N ATOM 247 CA ASN A 18 -4.962 -9.469 -0.089 1.00 0.00 C ATOM 248 C ASN A 18 -3.849 -10.324 0.509 1.00 0.00 C ATOM 249 O ASN A 18 -3.019 -10.876 -0.216 1.00 0.00 O ATOM 250 CB ASN A 18 -4.499 -8.864 -1.415 1.00 0.00 C ATOM 251 CG ASN A 18 -3.019 -8.532 -1.415 1.00 0.00 C ATOM 252 OD1 ASN A 18 -2.291 -9.075 -2.384 1.00 0.00 O flip ATOM 253 ND2 ASN A 18 -2.537 -7.797 -0.554 1.00 0.00 N flip ATOM 0 H ASN A 18 -4.888 -7.523 0.688 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.828 -10.105 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.711 -9.563 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.071 -7.959 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.135 -7.402 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.540 -7.583 -0.566 1.00 0.00 H new ATOM 260 N ILE A 19 -3.838 -10.431 1.833 1.00 0.00 N ATOM 261 CA ILE A 19 -2.828 -11.220 2.527 1.00 0.00 C ATOM 262 C ILE A 19 -3.447 -12.450 3.183 1.00 0.00 C ATOM 263 O ILE A 19 -2.921 -12.973 4.166 1.00 0.00 O ATOM 264 CB ILE A 19 -2.103 -10.388 3.602 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.933 -11.181 4.188 1.00 0.00 C ATOM 266 CG2 ILE A 19 -3.075 -9.979 4.699 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.209 -10.309 4.662 1.00 0.00 C ATOM 0 H ILE A 19 -4.517 -9.981 2.447 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.104 -11.537 1.776 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.709 -9.484 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.293 -11.781 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.561 -11.875 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.548 -9.392 5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.878 -9.381 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.495 -10.871 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.003 -10.937 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.595 -9.728 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.148 -9.632 5.438 1.00 0.00 H new ATOM 279 N SER A 20 -4.566 -12.908 2.632 1.00 0.00 N ATOM 280 CA SER A 20 -5.258 -14.076 3.165 1.00 0.00 C ATOM 281 C SER A 20 -4.337 -15.292 3.183 1.00 0.00 C ATOM 282 O SER A 20 -4.284 -16.030 4.168 1.00 0.00 O ATOM 283 CB SER A 20 -6.506 -14.379 2.333 1.00 0.00 C ATOM 284 OG SER A 20 -7.504 -15.005 3.120 1.00 0.00 O ATOM 0 H SER A 20 -5.013 -12.488 1.817 1.00 0.00 H new ATOM 0 HA SER A 20 -5.558 -13.854 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.899 -13.454 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.241 -15.024 1.496 1.00 0.00 H new ATOM 0 HG SER A 20 -8.292 -15.187 2.566 1.00 0.00 H new ATOM 290 N LEU A 21 -3.614 -15.494 2.087 1.00 0.00 N ATOM 291 CA LEU A 21 -2.694 -16.621 1.975 1.00 0.00 C ATOM 292 C LEU A 21 -2.014 -16.903 3.311 1.00 0.00 C ATOM 293 O LEU A 21 -1.918 -18.053 3.738 1.00 0.00 O ATOM 294 CB LEU A 21 -1.641 -16.340 0.902 1.00 0.00 C ATOM 295 CG LEU A 21 -2.166 -16.159 -0.523 1.00 0.00 C ATOM 296 CD1 LEU A 21 -1.159 -15.395 -1.369 1.00 0.00 C ATOM 297 CD2 LEU A 21 -2.478 -17.510 -1.151 1.00 0.00 C ATOM 0 H LEU A 21 -3.647 -14.893 1.264 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.269 -17.501 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.095 -15.439 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.923 -17.160 0.902 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.088 -15.579 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.549 -15.276 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.985 -14.413 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.220 -15.948 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.850 -17.363 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.572 -18.115 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.236 -18.021 -0.557 1.00 0.00 H new ATOM 309 N MET A 22 -1.545 -15.846 3.965 1.00 0.00 N ATOM 310 CA MET A 22 -0.877 -15.980 5.254 1.00 0.00 C ATOM 311 C MET A 22 -1.892 -16.188 6.374 1.00 0.00 C ATOM 312 O MET A 22 -2.768 -15.352 6.595 1.00 0.00 O ATOM 313 CB MET A 22 -0.027 -14.742 5.544 1.00 0.00 C ATOM 314 CG MET A 22 1.060 -14.496 4.511 1.00 0.00 C ATOM 315 SD MET A 22 1.992 -12.985 4.829 1.00 0.00 S ATOM 316 CE MET A 22 3.582 -13.412 4.122 1.00 0.00 C ATOM 0 H MET A 22 -1.615 -14.887 3.624 1.00 0.00 H new ATOM 0 HA MET A 22 -0.228 -16.855 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.677 -13.868 5.591 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.434 -14.850 6.526 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.744 -15.345 4.500 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.608 -14.438 3.521 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.270 -12.575 4.241 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.984 -14.287 4.632 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.461 -13.634 3.062 1.00 0.00 H new ATOM 326 N LYS A 23 -1.768 -17.308 7.078 1.00 0.00 N ATOM 327 CA LYS A 23 -2.674 -17.626 8.176 1.00 0.00 C ATOM 328 C LYS A 23 -2.409 -16.725 9.377 1.00 0.00 C ATOM 329 O LYS A 23 -1.303 -16.217 9.553 1.00 0.00 O ATOM 330 CB LYS A 23 -2.520 -19.094 8.582 1.00 0.00 C ATOM 331 CG LYS A 23 -3.428 -20.036 7.811 1.00 0.00 C ATOM 332 CD LYS A 23 -4.782 -20.182 8.485 1.00 0.00 C ATOM 333 CE LYS A 23 -5.868 -20.541 7.482 1.00 0.00 C ATOM 334 NZ LYS A 23 -5.870 -21.996 7.164 1.00 0.00 N ATOM 0 H LYS A 23 -1.049 -18.011 6.908 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.695 -17.455 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.484 -19.397 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.729 -19.192 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.564 -19.662 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.954 -21.014 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.726 -20.953 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.042 -19.250 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.841 -20.255 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.720 -19.969 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.624 -22.200 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.951 -22.264 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.037 -22.541 8.034 1.00 0.00 H new ATOM 348 N GLY A 24 -3.433 -16.532 10.203 1.00 0.00 N ATOM 349 CA GLY A 24 -3.290 -15.693 11.379 1.00 0.00 C ATOM 350 C GLY A 24 -4.538 -14.883 11.668 1.00 0.00 C ATOM 351 O GLY A 24 -5.646 -15.289 11.319 1.00 0.00 O ATOM 0 H GLY A 24 -4.359 -16.942 10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.058 -16.318 12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.446 -15.017 11.239 1.00 0.00 H new ATOM 355 N GLY A 25 -4.360 -13.733 12.311 1.00 0.00 N ATOM 356 CA GLY A 25 -5.490 -12.883 12.639 1.00 0.00 C ATOM 357 C GLY A 25 -5.377 -11.504 12.019 1.00 0.00 C ATOM 358 O GLY A 25 -5.605 -11.334 10.822 1.00 0.00 O ATOM 0 H GLY A 25 -3.453 -13.375 12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.409 -13.358 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.566 -12.786 13.722 1.00 0.00 H new ATOM 362 N SER A 26 -5.026 -10.517 12.837 1.00 0.00 N ATOM 363 CA SER A 26 -4.888 -9.144 12.363 1.00 0.00 C ATOM 364 C SER A 26 -3.766 -9.034 11.336 1.00 0.00 C ATOM 365 O SER A 26 -2.710 -9.650 11.484 1.00 0.00 O ATOM 366 CB SER A 26 -4.616 -8.202 13.538 1.00 0.00 C ATOM 367 OG SER A 26 -5.590 -8.359 14.554 1.00 0.00 O ATOM 0 H SER A 26 -4.832 -10.642 13.831 1.00 0.00 H new ATOM 0 HA SER A 26 -5.823 -8.855 11.884 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.625 -8.401 13.946 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.615 -7.170 13.188 1.00 0.00 H new ATOM 0 HG SER A 26 -5.393 -7.747 15.294 1.00 0.00 H new ATOM 373 N LYS A 27 -4.002 -8.244 10.294 1.00 0.00 N ATOM 374 CA LYS A 27 -3.012 -8.050 9.242 1.00 0.00 C ATOM 375 C LYS A 27 -2.619 -6.580 9.129 1.00 0.00 C ATOM 376 O LYS A 27 -2.554 -6.029 8.031 1.00 0.00 O ATOM 377 CB LYS A 27 -3.558 -8.547 7.901 1.00 0.00 C ATOM 378 CG LYS A 27 -3.917 -10.022 7.900 1.00 0.00 C ATOM 379 CD LYS A 27 -2.696 -10.893 8.149 1.00 0.00 C ATOM 380 CE LYS A 27 -2.987 -12.357 7.858 1.00 0.00 C ATOM 381 NZ LYS A 27 -3.530 -13.063 9.051 1.00 0.00 N ATOM 0 H LYS A 27 -4.871 -7.728 10.156 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.124 -8.627 9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.443 -7.966 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.815 -8.362 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.666 -10.216 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.366 -10.288 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.872 -10.553 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.375 -10.784 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.701 -12.429 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.072 -12.851 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.052 -13.909 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.746 -13.345 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.171 -12.428 9.568 1.00 0.00 H new ATOM 395 N GLU A 28 -2.356 -5.953 10.271 1.00 0.00 N ATOM 396 CA GLU A 28 -1.969 -4.547 10.299 1.00 0.00 C ATOM 397 C GLU A 28 -0.460 -4.395 10.127 1.00 0.00 C ATOM 398 O GLU A 28 0.308 -5.295 10.467 1.00 0.00 O ATOM 399 CB GLU A 28 -2.411 -3.899 11.612 1.00 0.00 C ATOM 400 CG GLU A 28 -2.687 -2.409 11.493 1.00 0.00 C ATOM 401 CD GLU A 28 -3.031 -1.772 12.825 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.196 -1.845 13.751 1.00 0.00 O ATOM 403 OE2 GLU A 28 -4.135 -1.200 12.942 1.00 0.00 O ATOM 0 H GLU A 28 -2.404 -6.396 11.189 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.465 -4.044 9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.311 -4.399 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.638 -4.058 12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.812 -1.914 11.073 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.509 -2.250 10.795 1.00 0.00 H new ATOM 410 N TYR A 29 -0.043 -3.251 9.597 1.00 0.00 N ATOM 411 CA TYR A 29 1.372 -2.981 9.376 1.00 0.00 C ATOM 412 C TYR A 29 1.655 -1.483 9.421 1.00 0.00 C ATOM 413 O TYR A 29 0.744 -0.664 9.297 1.00 0.00 O ATOM 414 CB TYR A 29 1.820 -3.556 8.031 1.00 0.00 C ATOM 415 CG TYR A 29 2.212 -5.015 8.097 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.459 -5.399 8.576 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.336 -6.010 7.680 1.00 0.00 C ATOM 418 CE1 TYR A 29 3.822 -6.730 8.637 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.690 -7.344 7.739 1.00 0.00 C ATOM 420 CZ TYR A 29 2.934 -7.699 8.217 1.00 0.00 C ATOM 421 OH TYR A 29 3.292 -9.026 8.278 1.00 0.00 O ATOM 0 H TYR A 29 -0.666 -2.495 9.312 1.00 0.00 H new ATOM 0 HA TYR A 29 1.936 -3.463 10.175 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.013 -3.438 7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.667 -2.977 7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.156 -4.643 8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.362 -5.736 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.795 -7.011 9.011 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.996 -8.105 7.413 1.00 0.00 H new ATOM 0 HH TYR A 29 2.554 -9.579 7.946 1.00 0.00 H new ATOM 431 N TRP A 30 2.924 -1.132 9.597 1.00 0.00 N ATOM 432 CA TRP A 30 3.328 0.268 9.657 1.00 0.00 C ATOM 433 C TRP A 30 3.894 0.730 8.318 1.00 0.00 C ATOM 434 O TRP A 30 5.086 0.578 8.052 1.00 0.00 O ATOM 435 CB TRP A 30 4.366 0.474 10.762 1.00 0.00 C ATOM 436 CG TRP A 30 4.951 1.854 10.778 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.216 2.212 10.408 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.294 3.058 11.186 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.384 3.567 10.562 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.220 4.109 11.037 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.013 3.352 11.661 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.904 5.429 11.348 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.701 4.663 11.970 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.643 5.688 11.811 1.00 0.00 C ATOM 0 H TRP A 30 3.690 -1.797 9.701 1.00 0.00 H new ATOM 0 HA TRP A 30 2.445 0.866 9.882 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.903 0.272 11.728 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.169 -0.252 10.636 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.973 1.531 10.048 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.238 4.085 10.356 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.280 2.569 11.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.629 6.221 11.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.715 4.901 12.340 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.368 6.703 12.059 1.00 0.00 H new ATOM 455 N PHE A 31 3.031 1.293 7.479 1.00 0.00 N ATOM 456 CA PHE A 31 3.446 1.776 6.167 1.00 0.00 C ATOM 457 C PHE A 31 4.022 3.186 6.263 1.00 0.00 C ATOM 458 O PHE A 31 3.367 4.104 6.756 1.00 0.00 O ATOM 459 CB PHE A 31 2.263 1.762 5.198 1.00 0.00 C ATOM 460 CG PHE A 31 1.893 0.386 4.723 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.150 -0.463 5.528 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.287 -0.059 3.472 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.810 -1.730 5.094 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.949 -1.325 3.032 1.00 0.00 C ATOM 465 CZ PHE A 31 1.208 -2.161 3.844 1.00 0.00 C ATOM 0 H PHE A 31 2.041 1.426 7.684 1.00 0.00 H new ATOM 0 HA PHE A 31 4.223 1.110 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.399 2.214 5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.503 2.383 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.833 -0.131 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.865 0.591 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.233 -2.383 5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.264 -1.660 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.940 -3.150 3.502 1.00 0.00 H new ATOM 475 N VAL A 32 5.254 3.349 5.790 1.00 0.00 N ATOM 476 CA VAL A 32 5.919 4.646 5.821 1.00 0.00 C ATOM 477 C VAL A 32 6.210 5.149 4.412 1.00 0.00 C ATOM 478 O VAL A 32 7.312 4.969 3.892 1.00 0.00 O ATOM 479 CB VAL A 32 7.238 4.581 6.614 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.036 5.863 6.430 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.962 4.321 8.087 1.00 0.00 C ATOM 0 H VAL A 32 5.811 2.599 5.381 1.00 0.00 H new ATOM 0 HA VAL A 32 5.239 5.339 6.317 1.00 0.00 H new ATOM 0 HB VAL A 32 7.833 3.753 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.964 5.798 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.266 6.000 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.451 6.710 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.905 4.278 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.347 5.126 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.436 3.373 8.197 1.00 0.00 H new ATOM 491 N LEU A 33 5.215 5.780 3.798 1.00 0.00 N ATOM 492 CA LEU A 33 5.364 6.311 2.447 1.00 0.00 C ATOM 493 C LEU A 33 6.263 7.543 2.442 1.00 0.00 C ATOM 494 O LEU A 33 5.874 8.611 2.916 1.00 0.00 O ATOM 495 CB LEU A 33 3.994 6.662 1.863 1.00 0.00 C ATOM 496 CG LEU A 33 4.004 7.341 0.493 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.969 6.302 -0.617 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.829 8.299 0.364 1.00 0.00 C ATOM 0 H LEU A 33 4.297 5.936 4.214 1.00 0.00 H new ATOM 0 HA LEU A 33 5.830 5.543 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.407 5.746 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.478 7.315 2.567 1.00 0.00 H new ATOM 0 HG LEU A 33 4.927 7.914 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.977 6.803 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.842 5.654 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.063 5.703 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.852 8.773 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.896 7.748 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.896 9.063 1.138 1.00 0.00 H new ATOM 510 N THR A 34 7.467 7.388 1.901 1.00 0.00 N ATOM 511 CA THR A 34 8.422 8.487 1.833 1.00 0.00 C ATOM 512 C THR A 34 8.515 9.048 0.418 1.00 0.00 C ATOM 513 O THR A 34 7.994 8.458 -0.528 1.00 0.00 O ATOM 514 CB THR A 34 9.824 8.043 2.291 1.00 0.00 C ATOM 515 OG1 THR A 34 10.154 6.780 1.703 1.00 0.00 O ATOM 516 CG2 THR A 34 9.890 7.936 3.807 1.00 0.00 C ATOM 0 H THR A 34 7.804 6.511 1.503 1.00 0.00 H new ATOM 0 HA THR A 34 8.058 9.264 2.506 1.00 0.00 H new ATOM 0 HB THR A 34 10.543 8.794 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.496 6.559 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.890 7.621 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.667 8.907 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.160 7.204 4.152 1.00 0.00 H new ATOM 524 N ALA A 35 9.182 10.189 0.282 1.00 0.00 N ATOM 525 CA ALA A 35 9.346 10.827 -1.019 1.00 0.00 C ATOM 526 C ALA A 35 10.324 10.049 -1.893 1.00 0.00 C ATOM 527 O ALA A 35 10.604 10.440 -3.026 1.00 0.00 O ATOM 528 CB ALA A 35 9.817 12.263 -0.846 1.00 0.00 C ATOM 0 H ALA A 35 9.617 10.691 1.056 1.00 0.00 H new ATOM 0 HA ALA A 35 8.377 10.831 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.935 12.728 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.081 12.820 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.773 12.272 -0.322 1.00 0.00 H new ATOM 534 N GLU A 36 10.840 8.946 -1.359 1.00 0.00 N ATOM 535 CA GLU A 36 11.788 8.115 -2.091 1.00 0.00 C ATOM 536 C GLU A 36 11.162 6.773 -2.460 1.00 0.00 C ATOM 537 O GLU A 36 11.207 6.352 -3.616 1.00 0.00 O ATOM 538 CB GLU A 36 13.052 7.890 -1.259 1.00 0.00 C ATOM 539 CG GLU A 36 12.786 7.236 0.086 1.00 0.00 C ATOM 540 CD GLU A 36 13.900 7.484 1.085 1.00 0.00 C ATOM 541 OE1 GLU A 36 13.882 8.544 1.745 1.00 0.00 O ATOM 542 OE2 GLU A 36 14.791 6.617 1.206 1.00 0.00 O ATOM 0 H GLU A 36 10.617 8.608 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 36 12.056 8.637 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.744 7.267 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.545 8.848 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.848 7.616 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.661 6.162 -0.054 1.00 0.00 H new ATOM 549 N SER A 37 10.581 6.105 -1.469 1.00 0.00 N ATOM 550 CA SER A 37 9.951 4.808 -1.687 1.00 0.00 C ATOM 551 C SER A 37 8.916 4.519 -0.604 1.00 0.00 C ATOM 552 O SER A 37 8.764 5.285 0.348 1.00 0.00 O ATOM 553 CB SER A 37 11.006 3.701 -1.708 1.00 0.00 C ATOM 554 OG SER A 37 11.532 3.472 -0.412 1.00 0.00 O ATOM 0 H SER A 37 10.533 6.440 -0.507 1.00 0.00 H new ATOM 0 HA SER A 37 9.445 4.835 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.565 2.781 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.813 3.976 -2.388 1.00 0.00 H new ATOM 0 HG SER A 37 12.276 2.837 -0.469 1.00 0.00 H new ATOM 560 N LEU A 38 8.205 3.407 -0.756 1.00 0.00 N ATOM 561 CA LEU A 38 7.183 3.013 0.208 1.00 0.00 C ATOM 562 C LEU A 38 7.533 1.679 0.859 1.00 0.00 C ATOM 563 O LEU A 38 7.559 0.642 0.197 1.00 0.00 O ATOM 564 CB LEU A 38 5.818 2.917 -0.476 1.00 0.00 C ATOM 565 CG LEU A 38 4.769 2.064 0.237 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.169 2.825 1.409 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.680 1.635 -0.736 1.00 0.00 C ATOM 0 H LEU A 38 8.317 2.762 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 38 7.140 3.775 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.420 3.925 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.964 2.515 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 38 5.257 1.169 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.424 2.202 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.957 3.082 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.695 3.737 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.942 1.029 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.195 2.518 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.122 1.051 -1.543 1.00 0.00 H new ATOM 579 N SER A 39 7.801 1.714 2.161 1.00 0.00 N ATOM 580 CA SER A 39 8.151 0.508 2.902 1.00 0.00 C ATOM 581 C SER A 39 7.306 0.383 4.166 1.00 0.00 C ATOM 582 O SER A 39 6.979 1.380 4.809 1.00 0.00 O ATOM 583 CB SER A 39 9.636 0.522 3.267 1.00 0.00 C ATOM 584 OG SER A 39 10.432 0.893 2.154 1.00 0.00 O ATOM 0 H SER A 39 7.782 2.564 2.724 1.00 0.00 H new ATOM 0 HA SER A 39 7.949 -0.353 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.805 1.219 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.936 -0.465 3.620 1.00 0.00 H new ATOM 0 HG SER A 39 11.377 0.896 2.414 1.00 0.00 H new ATOM 590 N TRP A 40 6.956 -0.850 4.516 1.00 0.00 N ATOM 591 CA TRP A 40 6.149 -1.107 5.703 1.00 0.00 C ATOM 592 C TRP A 40 6.930 -1.924 6.726 1.00 0.00 C ATOM 593 O TRP A 40 7.485 -2.974 6.402 1.00 0.00 O ATOM 594 CB TRP A 40 4.862 -1.841 5.321 1.00 0.00 C ATOM 595 CG TRP A 40 5.078 -2.937 4.322 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.184 -4.273 4.581 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.216 -2.789 2.904 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.379 -4.965 3.410 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.402 -4.078 2.367 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.198 -1.694 2.036 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.569 -4.298 1.003 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.365 -1.914 0.682 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.548 -3.208 0.176 1.00 0.00 C ATOM 0 H TRP A 40 7.218 -1.687 3.995 1.00 0.00 H new ATOM 0 HA TRP A 40 5.892 -0.147 6.152 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.412 -2.262 6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.150 -1.123 4.914 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.123 -4.720 5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.489 -5.976 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.056 -0.693 2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.710 -5.294 0.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.354 -1.075 0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.675 -3.348 -0.887 1.00 0.00 H new ATOM 614 N TYR A 41 6.970 -1.436 7.961 1.00 0.00 N ATOM 615 CA TYR A 41 7.686 -2.120 9.031 1.00 0.00 C ATOM 616 C TYR A 41 6.713 -2.778 10.003 1.00 0.00 C ATOM 617 O TYR A 41 5.500 -2.766 9.791 1.00 0.00 O ATOM 618 CB TYR A 41 8.587 -1.137 9.780 1.00 0.00 C ATOM 619 CG TYR A 41 9.426 -0.270 8.869 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.851 0.760 8.135 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.794 -0.481 8.742 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.614 1.555 7.301 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.564 0.310 7.912 1.00 0.00 C ATOM 624 CZ TYR A 41 10.969 1.327 7.193 1.00 0.00 C ATOM 625 OH TYR A 41 11.733 2.116 6.364 1.00 0.00 O ATOM 0 H TYR A 41 6.515 -0.569 8.246 1.00 0.00 H new ATOM 0 HA TYR A 41 8.303 -2.898 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.968 -0.497 10.409 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.246 -1.695 10.445 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.790 0.942 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.263 -1.277 9.302 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.151 2.351 6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.626 0.134 7.826 1.00 0.00 H new ATOM 0 HH TYR A 41 12.516 2.443 6.854 1.00 0.00 H new ATOM 635 N LYS A 42 7.253 -3.352 11.073 1.00 0.00 N ATOM 636 CA LYS A 42 6.434 -4.015 12.082 1.00 0.00 C ATOM 637 C LYS A 42 5.679 -2.993 12.926 1.00 0.00 C ATOM 638 O LYS A 42 4.449 -3.013 12.988 1.00 0.00 O ATOM 639 CB LYS A 42 7.308 -4.890 12.983 1.00 0.00 C ATOM 640 CG LYS A 42 7.506 -6.300 12.454 1.00 0.00 C ATOM 641 CD LYS A 42 7.765 -7.287 13.580 1.00 0.00 C ATOM 642 CE LYS A 42 7.310 -8.689 13.208 1.00 0.00 C ATOM 643 NZ LYS A 42 5.836 -8.850 13.351 1.00 0.00 N ATOM 0 H LYS A 42 8.255 -3.372 11.264 1.00 0.00 H new ATOM 0 HA LYS A 42 5.707 -4.645 11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.282 -4.415 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.856 -4.943 13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.622 -6.608 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.344 -6.314 11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.829 -7.300 13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.242 -6.960 14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.601 -8.904 12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.818 -9.416 13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.566 -9.819 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.561 -8.669 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.351 -8.174 12.727 1.00 0.00 H new ATOM 657 N ASP A 43 6.421 -2.102 13.573 1.00 0.00 N ATOM 658 CA ASP A 43 5.821 -1.071 14.411 1.00 0.00 C ATOM 659 C ASP A 43 6.307 0.315 14.000 1.00 0.00 C ATOM 660 O ASP A 43 7.211 0.446 13.176 1.00 0.00 O ATOM 661 CB ASP A 43 6.151 -1.324 15.883 1.00 0.00 C ATOM 662 CG ASP A 43 5.763 -2.720 16.332 1.00 0.00 C ATOM 663 OD1 ASP A 43 4.838 -3.301 15.727 1.00 0.00 O ATOM 664 OD2 ASP A 43 6.384 -3.230 17.288 1.00 0.00 O ATOM 0 H ASP A 43 7.440 -2.073 13.533 1.00 0.00 H new ATOM 0 HA ASP A 43 4.740 -1.112 14.276 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.219 -1.178 16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.633 -0.590 16.500 1.00 0.00 H new ATOM 669 N GLU A 44 5.700 1.346 14.579 1.00 0.00 N ATOM 670 CA GLU A 44 6.070 2.722 14.270 1.00 0.00 C ATOM 671 C GLU A 44 7.573 2.932 14.437 1.00 0.00 C ATOM 672 O GLU A 44 8.169 3.778 13.771 1.00 0.00 O ATOM 673 CB GLU A 44 5.306 3.694 15.171 1.00 0.00 C ATOM 674 CG GLU A 44 4.995 5.025 14.506 1.00 0.00 C ATOM 675 CD GLU A 44 4.934 6.172 15.497 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.386 5.972 16.601 1.00 0.00 O ATOM 677 OE2 GLU A 44 5.434 7.268 15.167 1.00 0.00 O ATOM 0 H GLU A 44 4.950 1.254 15.264 1.00 0.00 H new ATOM 0 HA GLU A 44 5.806 2.917 13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.372 3.227 15.485 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.890 3.876 16.073 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.756 5.238 13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.042 4.951 13.982 1.00 0.00 H new ATOM 684 N GLU A 45 8.177 2.155 15.330 1.00 0.00 N ATOM 685 CA GLU A 45 9.609 2.257 15.585 1.00 0.00 C ATOM 686 C GLU A 45 10.408 1.993 14.312 1.00 0.00 C ATOM 687 O GLU A 45 11.448 2.610 14.082 1.00 0.00 O ATOM 688 CB GLU A 45 10.027 1.268 16.676 1.00 0.00 C ATOM 689 CG GLU A 45 9.155 0.025 16.738 1.00 0.00 C ATOM 690 CD GLU A 45 9.781 -1.087 17.557 1.00 0.00 C ATOM 691 OE1 GLU A 45 10.068 -0.854 18.750 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.985 -2.188 17.005 1.00 0.00 O ATOM 0 H GLU A 45 7.698 1.449 15.888 1.00 0.00 H new ATOM 0 HA GLU A 45 9.821 3.271 15.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.061 0.968 16.506 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.996 1.772 17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.187 0.286 17.166 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.969 -0.335 15.726 1.00 0.00 H new ATOM 699 N GLU A 46 9.914 1.074 13.489 1.00 0.00 N ATOM 700 CA GLU A 46 10.583 0.728 12.241 1.00 0.00 C ATOM 701 C GLU A 46 11.965 0.140 12.508 1.00 0.00 C ATOM 702 O GLU A 46 12.916 0.398 11.771 1.00 0.00 O ATOM 703 CB GLU A 46 10.707 1.962 11.344 1.00 0.00 C ATOM 704 CG GLU A 46 9.371 2.594 10.991 1.00 0.00 C ATOM 705 CD GLU A 46 9.515 4.014 10.478 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.425 4.260 9.659 1.00 0.00 O ATOM 707 OE2 GLU A 46 8.718 4.879 10.896 1.00 0.00 O ATOM 0 H GLU A 46 9.053 0.556 13.664 1.00 0.00 H new ATOM 0 HA GLU A 46 9.980 -0.024 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.329 2.704 11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.221 1.682 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.875 1.987 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.729 2.593 11.872 1.00 0.00 H new ATOM 714 N LYS A 47 12.069 -0.653 13.570 1.00 0.00 N ATOM 715 CA LYS A 47 13.333 -1.280 13.937 1.00 0.00 C ATOM 716 C LYS A 47 13.759 -2.301 12.887 1.00 0.00 C ATOM 717 O LYS A 47 14.950 -2.503 12.653 1.00 0.00 O ATOM 718 CB LYS A 47 13.211 -1.958 15.304 1.00 0.00 C ATOM 719 CG LYS A 47 13.206 -0.983 16.468 1.00 0.00 C ATOM 720 CD LYS A 47 13.781 -1.613 17.726 1.00 0.00 C ATOM 721 CE LYS A 47 13.647 -0.686 18.925 1.00 0.00 C ATOM 722 NZ LYS A 47 14.494 0.530 18.783 1.00 0.00 N ATOM 0 H LYS A 47 11.292 -0.876 14.192 1.00 0.00 H new ATOM 0 HA LYS A 47 14.094 -0.502 13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.293 -2.545 15.329 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.039 -2.656 15.429 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.786 -0.098 16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.186 -0.650 16.660 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.267 -2.552 17.932 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.832 -1.853 17.566 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.604 -0.391 19.041 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.929 -1.221 19.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.427 1.103 19.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.483 0.248 18.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.164 1.090 17.971 1.00 0.00 H new ATOM 736 N GLU A 48 12.778 -2.940 12.257 1.00 0.00 N ATOM 737 CA GLU A 48 13.053 -3.939 11.232 1.00 0.00 C ATOM 738 C GLU A 48 12.202 -3.693 9.989 1.00 0.00 C ATOM 739 O GLU A 48 10.974 -3.636 10.065 1.00 0.00 O ATOM 740 CB GLU A 48 12.789 -5.345 11.774 1.00 0.00 C ATOM 741 CG GLU A 48 11.313 -5.665 11.942 1.00 0.00 C ATOM 742 CD GLU A 48 11.079 -6.990 12.642 1.00 0.00 C ATOM 743 OE1 GLU A 48 11.091 -7.013 13.890 1.00 0.00 O ATOM 744 OE2 GLU A 48 10.884 -8.004 11.940 1.00 0.00 O ATOM 0 H GLU A 48 11.787 -2.783 12.439 1.00 0.00 H new ATOM 0 HA GLU A 48 14.104 -3.856 10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.236 -6.075 11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.288 -5.454 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.835 -4.868 12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.836 -5.687 10.962 1.00 0.00 H new ATOM 751 N LYS A 49 12.862 -3.547 8.846 1.00 0.00 N ATOM 752 CA LYS A 49 12.168 -3.307 7.586 1.00 0.00 C ATOM 753 C LYS A 49 11.740 -4.622 6.942 1.00 0.00 C ATOM 754 O LYS A 49 12.520 -5.572 6.868 1.00 0.00 O ATOM 755 CB LYS A 49 13.068 -2.526 6.625 1.00 0.00 C ATOM 756 CG LYS A 49 12.417 -2.234 5.284 1.00 0.00 C ATOM 757 CD LYS A 49 13.239 -1.251 4.468 1.00 0.00 C ATOM 758 CE LYS A 49 12.872 0.188 4.795 1.00 0.00 C ATOM 759 NZ LYS A 49 13.684 1.159 4.011 1.00 0.00 N ATOM 0 H LYS A 49 13.878 -3.591 8.766 1.00 0.00 H new ATOM 0 HA LYS A 49 11.275 -2.718 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.354 -1.584 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.985 -3.091 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.299 -3.163 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.418 -1.829 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.299 -1.411 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.080 -1.436 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.814 0.349 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.020 0.367 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.404 2.129 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.692 1.023 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.524 1.005 2.995 1.00 0.00 H new ATOM 773 N LYS A 50 10.497 -4.670 6.476 1.00 0.00 N ATOM 774 CA LYS A 50 9.965 -5.867 5.836 1.00 0.00 C ATOM 775 C LYS A 50 10.352 -5.912 4.361 1.00 0.00 C ATOM 776 O LYS A 50 11.174 -6.731 3.950 1.00 0.00 O ATOM 777 CB LYS A 50 8.442 -5.912 5.976 1.00 0.00 C ATOM 778 CG LYS A 50 7.968 -6.108 7.406 1.00 0.00 C ATOM 779 CD LYS A 50 7.870 -7.582 7.762 1.00 0.00 C ATOM 780 CE LYS A 50 7.869 -7.792 9.269 1.00 0.00 C ATOM 781 NZ LYS A 50 9.250 -7.879 9.818 1.00 0.00 N ATOM 0 H LYS A 50 9.838 -3.893 6.530 1.00 0.00 H new ATOM 0 HA LYS A 50 10.395 -6.736 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.022 -4.984 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.053 -6.722 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.657 -5.612 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.994 -5.636 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.959 -8.001 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.707 -8.121 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.338 -6.970 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.325 -8.706 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.206 -8.056 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.760 -8.658 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.750 -6.984 9.643 1.00 0.00 H new ATOM 795 N TYR A 51 9.755 -5.027 3.570 1.00 0.00 N ATOM 796 CA TYR A 51 10.037 -4.967 2.141 1.00 0.00 C ATOM 797 C TYR A 51 9.795 -3.563 1.596 1.00 0.00 C ATOM 798 O TYR A 51 8.799 -2.920 1.927 1.00 0.00 O ATOM 799 CB TYR A 51 9.169 -5.975 1.386 1.00 0.00 C ATOM 800 CG TYR A 51 9.509 -6.087 -0.083 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.077 -5.128 -0.991 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.261 -7.152 -0.563 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.385 -5.226 -2.334 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.575 -7.257 -1.905 1.00 0.00 C ATOM 805 CZ TYR A 51 10.135 -6.292 -2.786 1.00 0.00 C ATOM 806 OH TYR A 51 10.444 -6.394 -4.123 1.00 0.00 O ATOM 0 H TYR A 51 9.073 -4.342 3.894 1.00 0.00 H new ATOM 0 HA TYR A 51 11.087 -5.219 1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.277 -6.955 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.122 -5.688 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.490 -4.292 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.606 -7.911 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.041 -4.472 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.162 -8.091 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 51 10.978 -7.201 -4.275 1.00 0.00 H new ATOM 816 N MET A 52 10.715 -3.093 0.759 1.00 0.00 N ATOM 817 CA MET A 52 10.601 -1.766 0.166 1.00 0.00 C ATOM 818 C MET A 52 10.000 -1.845 -1.233 1.00 0.00 C ATOM 819 O MET A 52 10.218 -2.815 -1.960 1.00 0.00 O ATOM 820 CB MET A 52 11.973 -1.092 0.108 1.00 0.00 C ATOM 821 CG MET A 52 11.962 0.248 -0.611 1.00 0.00 C ATOM 822 SD MET A 52 13.620 0.897 -0.897 1.00 0.00 S ATOM 823 CE MET A 52 13.910 0.354 -2.579 1.00 0.00 C ATOM 0 H MET A 52 11.547 -3.611 0.477 1.00 0.00 H new ATOM 0 HA MET A 52 9.937 -1.170 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.341 -0.947 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.675 -1.758 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.449 0.139 -1.567 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.391 0.967 -0.023 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.899 0.680 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.854 -0.734 -2.625 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.154 0.785 -3.236 1.00 0.00 H new ATOM 833 N LEU A 53 9.243 -0.819 -1.606 1.00 0.00 N ATOM 834 CA LEU A 53 8.610 -0.772 -2.919 1.00 0.00 C ATOM 835 C LEU A 53 8.715 0.623 -3.525 1.00 0.00 C ATOM 836 O LEU A 53 8.452 1.633 -2.871 1.00 0.00 O ATOM 837 CB LEU A 53 7.141 -1.186 -2.814 1.00 0.00 C ATOM 838 CG LEU A 53 6.536 -1.837 -4.058 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.121 -3.224 -4.273 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.020 -1.908 -3.940 1.00 0.00 C ATOM 0 H LEU A 53 9.053 -0.008 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 53 9.132 -1.471 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.039 -1.880 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.552 -0.302 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 53 6.785 -1.222 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.678 -3.672 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.200 -3.147 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.904 -3.849 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.607 -2.374 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.750 -2.499 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.616 -0.901 -3.836 1.00 0.00 H new ATOM 852 N PRO A 54 9.107 0.685 -4.806 1.00 0.00 N ATOM 853 CA PRO A 54 9.253 1.951 -5.530 1.00 0.00 C ATOM 854 C PRO A 54 7.911 2.619 -5.807 1.00 0.00 C ATOM 855 O PRO A 54 6.859 1.984 -5.713 1.00 0.00 O ATOM 856 CB PRO A 54 9.924 1.535 -6.841 1.00 0.00 C ATOM 857 CG PRO A 54 9.538 0.108 -7.029 1.00 0.00 C ATOM 858 CD PRO A 54 9.437 -0.478 -5.648 1.00 0.00 C ATOM 0 HA PRO A 54 9.822 2.684 -4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.582 2.150 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.007 1.648 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.588 0.027 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.281 -0.422 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.665 -1.246 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.373 -0.944 -5.340 1.00 0.00 H new ATOM 866 N LEU A 55 7.953 3.902 -6.149 1.00 0.00 N ATOM 867 CA LEU A 55 6.738 4.656 -6.440 1.00 0.00 C ATOM 868 C LEU A 55 6.744 5.162 -7.879 1.00 0.00 C ATOM 869 O LEU A 55 6.025 6.101 -8.220 1.00 0.00 O ATOM 870 CB LEU A 55 6.602 5.834 -5.474 1.00 0.00 C ATOM 871 CG LEU A 55 6.980 5.556 -4.018 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.960 6.841 -3.206 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.039 4.525 -3.411 1.00 0.00 C ATOM 0 H LEU A 55 8.814 4.442 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 55 5.886 3.989 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.223 6.651 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.569 6.182 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 55 7.993 5.153 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.231 6.623 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.674 7.549 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.960 7.274 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.322 4.339 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.016 4.901 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.103 3.596 -3.977 1.00 0.00 H new ATOM 885 N ASP A 56 7.557 4.532 -8.719 1.00 0.00 N ATOM 886 CA ASP A 56 7.654 4.916 -10.122 1.00 0.00 C ATOM 887 C ASP A 56 7.119 3.810 -11.026 1.00 0.00 C ATOM 888 O ASP A 56 6.716 4.062 -12.161 1.00 0.00 O ATOM 889 CB ASP A 56 9.105 5.233 -10.488 1.00 0.00 C ATOM 890 CG ASP A 56 9.212 6.168 -11.676 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.602 5.868 -12.724 1.00 0.00 O ATOM 892 OD2 ASP A 56 9.904 7.200 -11.558 1.00 0.00 O ATOM 0 H ASP A 56 8.159 3.753 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 56 7.047 5.809 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.603 5.683 -9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.631 4.305 -10.711 1.00 0.00 H new ATOM 897 N ASN A 57 7.120 2.583 -10.515 1.00 0.00 N ATOM 898 CA ASN A 57 6.636 1.437 -11.278 1.00 0.00 C ATOM 899 C ASN A 57 5.354 0.880 -10.667 1.00 0.00 C ATOM 900 O ASN A 57 5.019 -0.290 -10.858 1.00 0.00 O ATOM 901 CB ASN A 57 7.706 0.345 -11.330 1.00 0.00 C ATOM 902 CG ASN A 57 9.099 0.909 -11.530 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.703 0.741 -12.590 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.616 1.583 -10.509 1.00 0.00 N ATOM 0 H ASN A 57 7.450 2.356 -9.577 1.00 0.00 H new ATOM 0 HA ASN A 57 6.418 1.772 -12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.679 -0.230 -10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.477 -0.346 -12.141 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.550 1.986 -10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.079 1.697 -9.649 1.00 0.00 H new ATOM 911 N LEU A 58 4.639 1.725 -9.932 1.00 0.00 N ATOM 912 CA LEU A 58 3.392 1.318 -9.293 1.00 0.00 C ATOM 913 C LEU A 58 2.213 2.114 -9.843 1.00 0.00 C ATOM 914 O LEU A 58 2.389 3.028 -10.649 1.00 0.00 O ATOM 915 CB LEU A 58 3.487 1.507 -7.778 1.00 0.00 C ATOM 916 CG LEU A 58 4.552 0.673 -7.063 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.336 0.710 -5.558 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.536 -0.761 -7.572 1.00 0.00 C ATOM 0 H LEU A 58 4.901 2.696 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 58 3.228 0.263 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.682 2.560 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.516 1.272 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 58 5.530 1.103 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.102 0.112 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.398 1.740 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.352 0.305 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.300 -1.340 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.557 -1.202 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.740 -0.769 -8.643 1.00 0.00 H new ATOM 930 N LYS A 59 1.011 1.762 -9.401 1.00 0.00 N ATOM 931 CA LYS A 59 -0.198 2.445 -9.846 1.00 0.00 C ATOM 932 C LYS A 59 -1.362 2.160 -8.902 1.00 0.00 C ATOM 933 O LYS A 59 -1.427 1.097 -8.285 1.00 0.00 O ATOM 934 CB LYS A 59 -0.562 2.009 -11.267 1.00 0.00 C ATOM 935 CG LYS A 59 -1.493 2.974 -11.980 1.00 0.00 C ATOM 936 CD LYS A 59 -0.723 4.100 -12.649 1.00 0.00 C ATOM 937 CE LYS A 59 -1.625 4.938 -13.542 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.911 4.257 -14.836 1.00 0.00 N ATOM 0 H LYS A 59 0.848 1.007 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.002 3.517 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.352 1.902 -11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.032 1.026 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.074 2.435 -12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.202 3.391 -11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.271 4.736 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.092 3.683 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.562 5.141 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.152 5.901 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.515 4.867 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.018 4.070 -15.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.401 3.358 -14.654 1.00 0.00 H new ATOM 952 N ILE A 60 -2.279 3.117 -8.795 1.00 0.00 N ATOM 953 CA ILE A 60 -3.441 2.967 -7.928 1.00 0.00 C ATOM 954 C ILE A 60 -4.723 2.842 -8.744 1.00 0.00 C ATOM 955 O ILE A 60 -4.936 3.586 -9.701 1.00 0.00 O ATOM 956 CB ILE A 60 -3.577 4.155 -6.958 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.317 4.288 -6.100 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.807 3.984 -6.080 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.314 5.516 -5.217 1.00 0.00 C ATOM 0 H ILE A 60 -2.239 4.004 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.289 2.054 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.695 5.069 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.218 3.401 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.444 4.317 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.889 4.832 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.697 3.934 -6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.717 3.063 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.391 5.545 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.382 6.410 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.167 5.479 -4.539 1.00 0.00 H new ATOM 971 N ARG A 61 -5.574 1.897 -8.358 1.00 0.00 N ATOM 972 CA ARG A 61 -6.836 1.674 -9.053 1.00 0.00 C ATOM 973 C ARG A 61 -7.846 0.987 -8.140 1.00 0.00 C ATOM 974 O ARG A 61 -7.571 0.743 -6.965 1.00 0.00 O ATOM 975 CB ARG A 61 -6.609 0.829 -10.308 1.00 0.00 C ATOM 976 CG ARG A 61 -6.309 -0.631 -10.013 1.00 0.00 C ATOM 977 CD ARG A 61 -6.535 -1.505 -11.237 1.00 0.00 C ATOM 978 NE ARG A 61 -7.953 -1.772 -11.464 1.00 0.00 N ATOM 979 CZ ARG A 61 -8.432 -2.288 -12.590 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.611 -2.591 -13.587 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.735 -2.503 -12.721 1.00 0.00 N ATOM 0 H ARG A 61 -5.412 1.273 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.238 2.645 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.494 0.888 -10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.782 1.253 -10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.276 -0.731 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.943 -0.976 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.113 -1.016 -12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.004 -2.449 -11.112 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.611 -1.550 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.609 -2.428 -13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.982 -2.987 -14.451 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.369 -2.272 -11.956 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.102 -2.899 -13.586 1.00 0.00 H new ATOM 995 N ASP A 62 -9.016 0.677 -8.687 1.00 0.00 N ATOM 996 CA ASP A 62 -10.068 0.017 -7.922 1.00 0.00 C ATOM 997 C ASP A 62 -9.736 -1.455 -7.700 1.00 0.00 C ATOM 998 O ASP A 62 -8.983 -2.055 -8.468 1.00 0.00 O ATOM 999 CB ASP A 62 -11.410 0.147 -8.643 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.350 -1.001 -8.329 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -12.089 -2.126 -8.802 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.346 -0.773 -7.611 1.00 0.00 O ATOM 0 H ASP A 62 -9.260 0.872 -9.658 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.138 0.506 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.882 1.087 -8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.239 0.189 -9.719 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.302 -2.031 -6.645 1.00 0.00 N ATOM 1008 CA VAL A 63 -10.066 -3.433 -6.321 1.00 0.00 C ATOM 1009 C VAL A 63 -11.276 -4.290 -6.677 1.00 0.00 C ATOM 1010 O VAL A 63 -12.419 -3.858 -6.530 1.00 0.00 O ATOM 1011 CB VAL A 63 -9.742 -3.618 -4.827 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.834 -3.006 -3.964 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -9.556 -5.092 -4.501 1.00 0.00 C ATOM 0 H VAL A 63 -10.927 -1.549 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.209 -3.754 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.808 -3.101 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.588 -3.147 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.913 -1.940 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.785 -3.492 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.328 -5.204 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.472 -5.635 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.735 -5.495 -5.094 1.00 0.00 H new ATOM 1023 N GLU A 64 -11.016 -5.507 -7.145 1.00 0.00 N ATOM 1024 CA GLU A 64 -12.085 -6.425 -7.521 1.00 0.00 C ATOM 1025 C GLU A 64 -12.827 -6.931 -6.288 1.00 0.00 C ATOM 1026 O GLU A 64 -12.473 -7.962 -5.715 1.00 0.00 O ATOM 1027 CB GLU A 64 -11.518 -7.607 -8.310 1.00 0.00 C ATOM 1028 CG GLU A 64 -12.520 -8.727 -8.533 1.00 0.00 C ATOM 1029 CD GLU A 64 -13.412 -8.481 -9.734 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -13.036 -8.901 -10.849 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -14.487 -7.869 -9.559 1.00 0.00 O ATOM 0 H GLU A 64 -10.075 -5.880 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.790 -5.882 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.163 -7.251 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.653 -8.005 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.985 -9.667 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.139 -8.839 -7.642 1.00 0.00 H new ATOM 1038 N LYS A 65 -13.859 -6.198 -5.884 1.00 0.00 N ATOM 1039 CA LYS A 65 -14.654 -6.571 -4.720 1.00 0.00 C ATOM 1040 C LYS A 65 -15.982 -7.190 -5.143 1.00 0.00 C ATOM 1041 O LYS A 65 -16.482 -8.111 -4.498 1.00 0.00 O ATOM 1042 CB LYS A 65 -14.908 -5.347 -3.837 1.00 0.00 C ATOM 1043 CG LYS A 65 -15.274 -5.695 -2.405 1.00 0.00 C ATOM 1044 CD LYS A 65 -16.772 -5.892 -2.244 1.00 0.00 C ATOM 1045 CE LYS A 65 -17.132 -6.288 -0.820 1.00 0.00 C ATOM 1046 NZ LYS A 65 -16.711 -7.681 -0.508 1.00 0.00 N ATOM 0 H LYS A 65 -14.165 -5.341 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.093 -7.312 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.016 -4.721 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.711 -4.754 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.752 -6.604 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.937 -4.901 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.292 -4.971 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.115 -6.662 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.657 -5.600 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.209 -6.194 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.077 -7.953 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.088 -8.328 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.673 -7.737 -0.502 1.00 0.00 H new ATOM 1060 N GLY A 66 -16.548 -6.680 -6.232 1.00 0.00 N ATOM 1061 CA GLY A 66 -17.812 -7.197 -6.723 1.00 0.00 C ATOM 1062 C GLY A 66 -18.850 -6.108 -6.909 1.00 0.00 C ATOM 1063 O GLY A 66 -19.874 -6.094 -6.226 1.00 0.00 O ATOM 0 H GLY A 66 -16.154 -5.918 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.649 -7.705 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.192 -7.942 -6.024 1.00 0.00 H new ATOM 1067 N PHE A 67 -18.586 -5.192 -7.835 1.00 0.00 N ATOM 1068 CA PHE A 67 -19.505 -4.093 -8.106 1.00 0.00 C ATOM 1069 C PHE A 67 -20.101 -3.550 -6.811 1.00 0.00 C ATOM 1070 O PHE A 67 -21.259 -3.135 -6.774 1.00 0.00 O ATOM 1071 CB PHE A 67 -20.624 -4.555 -9.042 1.00 0.00 C ATOM 1072 CG PHE A 67 -21.541 -3.446 -9.473 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -21.108 -2.479 -10.366 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -22.836 -3.371 -8.986 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -21.949 -1.457 -10.764 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -23.682 -2.351 -9.381 1.00 0.00 C ATOM 1077 CZ PHE A 67 -23.238 -1.394 -10.272 1.00 0.00 C ATOM 0 H PHE A 67 -17.744 -5.189 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 67 -18.943 -3.294 -8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -20.181 -5.014 -9.926 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -21.210 -5.326 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -20.102 -2.524 -10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -23.189 -4.118 -8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -21.599 -0.708 -11.459 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -24.689 -2.303 -8.993 1.00 0.00 H new ATOM 0 HZ PHE A 67 -23.898 -0.598 -10.584 1.00 0.00 H new ATOM 1087 N MET A 68 -19.300 -3.556 -5.750 1.00 0.00 N ATOM 1088 CA MET A 68 -19.748 -3.063 -4.453 1.00 0.00 C ATOM 1089 C MET A 68 -18.579 -2.493 -3.655 1.00 0.00 C ATOM 1090 O MET A 68 -17.450 -2.438 -4.143 1.00 0.00 O ATOM 1091 CB MET A 68 -20.422 -4.185 -3.662 1.00 0.00 C ATOM 1092 CG MET A 68 -21.914 -4.302 -3.924 1.00 0.00 C ATOM 1093 SD MET A 68 -22.861 -2.974 -3.155 1.00 0.00 S ATOM 1094 CE MET A 68 -23.655 -3.857 -1.814 1.00 0.00 C ATOM 0 H MET A 68 -18.339 -3.896 -5.763 1.00 0.00 H new ATOM 0 HA MET A 68 -20.471 -2.265 -4.625 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.943 -5.132 -3.910 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.261 -4.015 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.092 -4.294 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.271 -5.261 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.278 -3.168 -1.243 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.275 -4.655 -2.221 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.895 -4.285 -1.160 1.00 0.00 H new ATOM 1104 N SER A 69 -18.857 -2.071 -2.426 1.00 0.00 N ATOM 1105 CA SER A 69 -17.829 -1.502 -1.562 1.00 0.00 C ATOM 1106 C SER A 69 -18.270 -1.531 -0.102 1.00 0.00 C ATOM 1107 O SER A 69 -19.270 -0.918 0.268 1.00 0.00 O ATOM 1108 CB SER A 69 -17.517 -0.065 -1.984 1.00 0.00 C ATOM 1109 OG SER A 69 -16.178 0.279 -1.671 1.00 0.00 O ATOM 0 H SER A 69 -19.786 -2.112 -2.006 1.00 0.00 H new ATOM 0 HA SER A 69 -16.928 -2.107 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.684 0.047 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 69 -18.199 0.621 -1.482 1.00 0.00 H new ATOM 0 HG SER A 69 -16.003 1.201 -1.952 1.00 0.00 H new ATOM 1115 N ASN A 70 -17.514 -2.247 0.724 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.826 -2.358 2.144 1.00 0.00 C ATOM 1117 C ASN A 70 -16.988 -1.380 2.962 1.00 0.00 C ATOM 1118 O ASN A 70 -17.303 -1.089 4.117 1.00 0.00 O ATOM 1119 CB ASN A 70 -17.582 -3.787 2.632 1.00 0.00 C ATOM 1120 CG ASN A 70 -17.858 -3.948 4.114 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -18.999 -4.156 4.526 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -16.810 -3.850 4.924 1.00 0.00 N ATOM 0 H ASN A 70 -16.681 -2.759 0.434 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.879 -2.110 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -18.217 -4.473 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -16.549 -4.067 2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.933 -3.948 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.882 -3.677 4.538 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.919 -0.874 2.357 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.036 0.073 3.027 1.00 0.00 C ATOM 1131 C LYS A 71 -14.081 0.724 2.031 1.00 0.00 C ATOM 1132 O LYS A 71 -14.101 0.410 0.840 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.240 -0.632 4.127 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.933 -0.625 5.479 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.939 -0.789 6.616 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.349 0.548 7.038 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.316 1.355 7.833 1.00 0.00 N ATOM 0 H LYS A 71 -15.643 -1.104 1.402 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.652 0.852 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.057 -1.664 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.267 -0.151 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.479 0.310 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.667 -1.430 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.433 -1.255 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.138 -1.460 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.448 0.378 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.050 1.109 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.112 2.367 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.284 1.153 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.228 1.109 8.840 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.244 1.630 2.527 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.279 2.324 1.680 1.00 0.00 C ATOM 1153 C HIS A 72 -11.008 1.496 1.515 1.00 0.00 C ATOM 1154 O HIS A 72 -10.096 1.569 2.339 1.00 0.00 O ATOM 1155 CB HIS A 72 -11.939 3.691 2.274 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.123 4.408 2.845 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -13.532 4.562 4.126 1.00 0.00 N flip ATOM 1158 CD2 HIS A 72 -14.048 5.071 2.067 1.00 0.00 C flip ATOM 1159 CE1 HIS A 72 -14.684 5.309 4.099 1.00 0.00 C flip ATOM 1160 NE2 HIS A 72 -14.974 5.604 2.844 1.00 0.00 N flip ATOM 0 H HIS A 72 -13.214 1.901 3.510 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.729 2.466 0.697 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.191 3.562 3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.487 4.312 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.020 5.143 0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.259 5.607 4.963 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.776 6.150 2.529 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.954 0.710 0.445 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.795 -0.131 0.172 1.00 0.00 C ATOM 1171 C VAL A 73 -9.398 -0.058 -1.299 1.00 0.00 C ATOM 1172 O VAL A 73 -10.179 -0.412 -2.182 1.00 0.00 O ATOM 1173 CB VAL A 73 -10.066 -1.600 0.547 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.359 -2.084 -0.092 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.896 -2.480 0.133 1.00 0.00 C ATOM 0 H VAL A 73 -11.700 0.638 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.978 0.247 0.786 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.176 -1.666 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.534 -3.124 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.190 -1.471 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.281 -2.005 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.105 -3.515 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.752 -2.411 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.992 -2.146 0.642 1.00 0.00 H new ATOM 1185 N PHE A 74 -8.178 0.403 -1.554 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.676 0.523 -2.918 1.00 0.00 C ATOM 1187 C PHE A 74 -6.542 -0.466 -3.169 1.00 0.00 C ATOM 1188 O PHE A 74 -5.740 -0.747 -2.279 1.00 0.00 O ATOM 1189 CB PHE A 74 -7.191 1.950 -3.182 1.00 0.00 C ATOM 1190 CG PHE A 74 -6.140 2.414 -2.215 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.486 2.806 -0.932 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.807 2.458 -2.588 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.521 3.235 -0.040 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.837 2.886 -1.701 1.00 0.00 C ATOM 1195 CZ PHE A 74 -4.195 3.273 -0.425 1.00 0.00 C ATOM 0 H PHE A 74 -7.519 0.700 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.494 0.292 -3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.793 2.008 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.042 2.629 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.521 2.776 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.522 2.154 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.804 3.540 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.801 2.918 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.439 3.605 0.271 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.482 -0.992 -4.389 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.447 -1.948 -4.758 1.00 0.00 C ATOM 1207 C ALA A 75 -4.276 -1.252 -5.444 1.00 0.00 C ATOM 1208 O ALA A 75 -4.452 -0.229 -6.107 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.023 -3.028 -5.662 1.00 0.00 C ATOM 0 H ALA A 75 -7.139 -0.771 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.076 -2.413 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.238 -3.735 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.822 -3.553 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.423 -2.570 -6.567 1.00 0.00 H new ATOM 1215 N ILE A 76 -3.082 -1.812 -5.279 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.883 -1.244 -5.883 1.00 0.00 C ATOM 1217 C ILE A 76 -1.166 -2.271 -6.753 1.00 0.00 C ATOM 1218 O ILE A 76 -0.694 -3.296 -6.260 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.906 -0.724 -4.812 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.424 0.584 -4.210 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.479 -0.527 -5.410 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.591 1.088 -3.052 1.00 0.00 C ATOM 0 H ILE A 76 -2.919 -2.658 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.208 -0.409 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.834 -1.465 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.450 1.347 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.450 0.438 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.158 -0.159 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.848 -1.478 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.425 0.197 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.017 2.018 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.586 0.343 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.430 1.267 -3.389 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.087 -1.989 -8.049 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.427 -2.888 -8.988 1.00 0.00 C ATOM 1236 C PHE A 77 0.804 -2.226 -9.600 1.00 0.00 C ATOM 1237 O PHE A 77 0.924 -1.002 -9.610 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.398 -3.306 -10.095 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.744 -2.192 -11.041 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -2.818 -1.356 -10.785 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -0.995 -1.982 -12.188 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -3.139 -0.330 -11.654 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.311 -0.958 -13.060 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.385 -0.131 -12.793 1.00 0.00 C ATOM 0 H PHE A 77 -1.472 -1.145 -8.473 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.107 -3.775 -8.440 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.960 -4.129 -10.660 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.314 -3.684 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.412 -1.507 -9.896 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.155 -2.626 -12.403 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.979 0.315 -11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.719 -0.804 -13.950 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.634 0.669 -13.474 1.00 0.00 H new ATOM 1254 N ASN A 78 1.718 -3.046 -10.109 1.00 0.00 N ATOM 1255 CA ASN A 78 2.941 -2.542 -10.722 1.00 0.00 C ATOM 1256 C ASN A 78 2.771 -2.389 -12.231 1.00 0.00 C ATOM 1257 O ASN A 78 2.534 -3.366 -12.942 1.00 0.00 O ATOM 1258 CB ASN A 78 4.112 -3.480 -10.422 1.00 0.00 C ATOM 1259 CG ASN A 78 5.384 -3.063 -11.133 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.344 -2.544 -12.248 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.523 -3.290 -10.489 1.00 0.00 N ATOM 0 H ASN A 78 1.634 -4.063 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 78 3.152 -1.561 -10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.290 -3.501 -9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.847 -4.494 -10.722 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.412 -3.031 -10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.509 -3.723 -9.566 1.00 0.00 H new ATOM 1268 N THR A 79 2.895 -1.157 -12.713 1.00 0.00 N ATOM 1269 CA THR A 79 2.755 -0.875 -14.136 1.00 0.00 C ATOM 1270 C THR A 79 3.720 -1.719 -14.961 1.00 0.00 C ATOM 1271 O THR A 79 3.330 -2.327 -15.958 1.00 0.00 O ATOM 1272 CB THR A 79 3.003 0.614 -14.442 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.293 1.004 -13.961 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.932 1.484 -13.800 1.00 0.00 C ATOM 0 H THR A 79 3.092 -0.338 -12.138 1.00 0.00 H new ATOM 0 HA THR A 79 1.730 -1.128 -14.408 1.00 0.00 H new ATOM 0 HB THR A 79 2.961 0.752 -15.522 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.444 1.951 -14.161 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.128 2.531 -14.030 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.954 1.204 -14.190 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.946 1.341 -12.720 1.00 0.00 H new ATOM 1282 N GLU A 80 4.980 -1.752 -14.538 1.00 0.00 N ATOM 1283 CA GLU A 80 6.000 -2.523 -15.240 1.00 0.00 C ATOM 1284 C GLU A 80 5.723 -4.019 -15.130 1.00 0.00 C ATOM 1285 O GLU A 80 4.910 -4.451 -14.314 1.00 0.00 O ATOM 1286 CB GLU A 80 7.387 -2.206 -14.676 1.00 0.00 C ATOM 1287 CG GLU A 80 7.664 -0.719 -14.541 1.00 0.00 C ATOM 1288 CD GLU A 80 8.016 -0.069 -15.865 1.00 0.00 C ATOM 1289 OE1 GLU A 80 7.095 0.157 -16.678 1.00 0.00 O ATOM 1290 OE2 GLU A 80 9.211 0.214 -16.089 1.00 0.00 O ATOM 0 H GLU A 80 5.319 -1.255 -13.714 1.00 0.00 H new ATOM 0 HA GLU A 80 5.971 -2.243 -16.293 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.488 -2.676 -13.698 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.143 -2.651 -15.323 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.787 -0.227 -14.120 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.483 -0.568 -13.837 1.00 0.00 H new ATOM 1297 N GLN A 81 6.406 -4.804 -15.958 1.00 0.00 N ATOM 1298 CA GLN A 81 6.233 -6.251 -15.954 1.00 0.00 C ATOM 1299 C GLN A 81 6.996 -6.888 -14.797 1.00 0.00 C ATOM 1300 O GLN A 81 8.082 -7.437 -14.985 1.00 0.00 O ATOM 1301 CB GLN A 81 6.706 -6.846 -17.282 1.00 0.00 C ATOM 1302 CG GLN A 81 5.863 -6.422 -18.473 1.00 0.00 C ATOM 1303 CD GLN A 81 4.616 -7.268 -18.636 1.00 0.00 C ATOM 1304 OE1 GLN A 81 4.660 -8.492 -18.507 1.00 0.00 O ATOM 1305 NE2 GLN A 81 3.493 -6.620 -18.922 1.00 0.00 N ATOM 0 H GLN A 81 7.084 -4.462 -16.639 1.00 0.00 H new ATOM 0 HA GLN A 81 5.172 -6.464 -15.826 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.740 -6.549 -17.456 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.694 -7.933 -17.208 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.576 -5.377 -18.356 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.463 -6.488 -19.380 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.501 -5.605 -19.020 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.622 -7.137 -19.043 1.00 0.00 H new ATOM 1314 N ARG A 82 6.421 -6.811 -13.602 1.00 0.00 N ATOM 1315 CA ARG A 82 7.048 -7.378 -12.414 1.00 0.00 C ATOM 1316 C ARG A 82 6.020 -7.596 -11.308 1.00 0.00 C ATOM 1317 O ARG A 82 4.852 -7.239 -11.454 1.00 0.00 O ATOM 1318 CB ARG A 82 8.165 -6.461 -11.914 1.00 0.00 C ATOM 1319 CG ARG A 82 9.506 -6.712 -12.585 1.00 0.00 C ATOM 1320 CD ARG A 82 10.636 -6.005 -11.854 1.00 0.00 C ATOM 1321 NE ARG A 82 11.933 -6.615 -12.131 1.00 0.00 N ATOM 1322 CZ ARG A 82 13.094 -6.030 -11.856 1.00 0.00 C ATOM 1323 NH1 ARG A 82 13.119 -4.827 -11.300 1.00 0.00 N ATOM 1324 NH2 ARG A 82 14.233 -6.649 -12.138 1.00 0.00 N ATOM 0 H ARG A 82 5.522 -6.361 -13.430 1.00 0.00 H new ATOM 0 HA ARG A 82 7.474 -8.344 -12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.874 -5.424 -12.080 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.277 -6.592 -10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.704 -7.783 -12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.467 -6.367 -13.618 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.658 -4.956 -12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.445 -6.030 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 82 11.949 -7.541 -12.559 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.245 -4.348 -11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.012 -4.381 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.218 -7.575 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.124 -6.199 -11.927 1.00 0.00 H new ATOM 1338 N ASN A 83 6.464 -8.184 -10.202 1.00 0.00 N ATOM 1339 CA ASN A 83 5.582 -8.450 -9.071 1.00 0.00 C ATOM 1340 C ASN A 83 5.641 -7.312 -8.056 1.00 0.00 C ATOM 1341 O ASN A 83 6.422 -6.373 -8.205 1.00 0.00 O ATOM 1342 CB ASN A 83 5.966 -9.769 -8.398 1.00 0.00 C ATOM 1343 CG ASN A 83 5.684 -10.971 -9.279 1.00 0.00 C ATOM 1344 OD1 ASN A 83 6.271 -11.120 -10.351 1.00 0.00 O ATOM 1345 ND2 ASN A 83 4.782 -11.836 -8.829 1.00 0.00 N ATOM 0 H ASN A 83 7.429 -8.485 -10.065 1.00 0.00 H new ATOM 0 HA ASN A 83 4.562 -8.525 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.026 -9.749 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.416 -9.870 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.551 -12.664 -9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.320 -11.672 -7.934 1.00 0.00 H new ATOM 1352 N VAL A 84 4.809 -7.405 -7.023 1.00 0.00 N ATOM 1353 CA VAL A 84 4.767 -6.385 -5.982 1.00 0.00 C ATOM 1354 C VAL A 84 5.193 -6.957 -4.635 1.00 0.00 C ATOM 1355 O VAL A 84 6.226 -6.574 -4.085 1.00 0.00 O ATOM 1356 CB VAL A 84 3.357 -5.778 -5.847 1.00 0.00 C ATOM 1357 CG1 VAL A 84 3.274 -4.889 -4.616 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.990 -5.001 -7.102 1.00 0.00 C ATOM 0 H VAL A 84 4.155 -8.176 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 84 5.465 -5.602 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 84 2.640 -6.590 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.271 -4.469 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.491 -5.479 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.000 -4.080 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.991 -4.579 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.709 -4.196 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.006 -5.670 -7.962 1.00 0.00 H new ATOM 1368 N TYR A 85 4.391 -7.876 -4.108 1.00 0.00 N ATOM 1369 CA TYR A 85 4.684 -8.500 -2.824 1.00 0.00 C ATOM 1370 C TYR A 85 5.203 -9.922 -3.015 1.00 0.00 C ATOM 1371 O TYR A 85 5.359 -10.393 -4.141 1.00 0.00 O ATOM 1372 CB TYR A 85 3.433 -8.515 -1.943 1.00 0.00 C ATOM 1373 CG TYR A 85 3.735 -8.609 -0.465 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.718 -7.816 0.115 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.038 -9.490 0.352 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.997 -7.899 1.466 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.310 -9.578 1.704 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.290 -8.781 2.256 1.00 0.00 C ATOM 1379 OH TYR A 85 4.565 -8.866 3.601 1.00 0.00 O ATOM 0 H TYR A 85 3.533 -8.205 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 85 5.459 -7.913 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.856 -7.610 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.806 -9.358 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.273 -7.123 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.270 -10.117 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.765 -7.276 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.758 -10.268 2.325 1.00 0.00 H new ATOM 0 HH TYR A 85 3.978 -9.534 4.013 1.00 0.00 H new ATOM 1389 N LYS A 86 5.467 -10.603 -1.904 1.00 0.00 N ATOM 1390 CA LYS A 86 5.966 -11.972 -1.946 1.00 0.00 C ATOM 1391 C LYS A 86 5.371 -12.732 -3.127 1.00 0.00 C ATOM 1392 O LYS A 86 6.072 -13.053 -4.087 1.00 0.00 O ATOM 1393 CB LYS A 86 5.634 -12.697 -0.640 1.00 0.00 C ATOM 1394 CG LYS A 86 6.021 -11.917 0.604 1.00 0.00 C ATOM 1395 CD LYS A 86 7.456 -11.423 0.529 1.00 0.00 C ATOM 1396 CE LYS A 86 7.860 -10.690 1.799 1.00 0.00 C ATOM 1397 NZ LYS A 86 8.096 -11.628 2.931 1.00 0.00 N ATOM 0 H LYS A 86 5.343 -10.228 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 86 7.048 -11.934 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.564 -12.904 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.145 -13.660 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.349 -11.068 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.898 -12.549 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.125 -12.268 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.569 -10.758 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.765 -10.112 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.079 -9.980 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.386 -11.090 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.220 -12.150 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.847 -12.300 2.674 1.00 0.00 H new ATOM 1411 N ASP A 87 4.076 -13.016 -3.050 1.00 0.00 N ATOM 1412 CA ASP A 87 3.386 -13.736 -4.114 1.00 0.00 C ATOM 1413 C ASP A 87 2.056 -13.068 -4.450 1.00 0.00 C ATOM 1414 O ASP A 87 1.041 -13.740 -4.637 1.00 0.00 O ATOM 1415 CB ASP A 87 3.151 -15.191 -3.705 1.00 0.00 C ATOM 1416 CG ASP A 87 4.386 -15.829 -3.101 1.00 0.00 C ATOM 1417 OD1 ASP A 87 5.505 -15.492 -3.543 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.235 -16.665 -2.186 1.00 0.00 O ATOM 0 H ASP A 87 3.482 -12.759 -2.262 1.00 0.00 H new ATOM 0 HA ASP A 87 4.017 -13.713 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.334 -15.236 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.839 -15.765 -4.578 1.00 0.00 H new ATOM 1423 N LEU A 88 2.068 -11.741 -4.523 1.00 0.00 N ATOM 1424 CA LEU A 88 0.863 -10.981 -4.834 1.00 0.00 C ATOM 1425 C LEU A 88 1.156 -9.894 -5.863 1.00 0.00 C ATOM 1426 O LEU A 88 2.011 -9.035 -5.647 1.00 0.00 O ATOM 1427 CB LEU A 88 0.289 -10.354 -3.563 1.00 0.00 C ATOM 1428 CG LEU A 88 0.260 -11.253 -2.325 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.037 -10.424 -1.070 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.819 -12.317 -2.463 1.00 0.00 C ATOM 0 H LEU A 88 2.899 -11.170 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 88 0.129 -11.668 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.871 -9.463 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.729 -10.024 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 88 1.225 -11.753 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.019 -11.080 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.846 -9.701 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.914 -9.897 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.825 -12.947 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.791 -11.837 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.615 -12.930 -3.341 1.00 0.00 H new ATOM 1442 N ARG A 89 0.439 -9.936 -6.981 1.00 0.00 N ATOM 1443 CA ARG A 89 0.621 -8.954 -8.043 1.00 0.00 C ATOM 1444 C ARG A 89 0.181 -7.567 -7.583 1.00 0.00 C ATOM 1445 O ARG A 89 0.810 -6.564 -7.919 1.00 0.00 O ATOM 1446 CB ARG A 89 -0.169 -9.364 -9.288 1.00 0.00 C ATOM 1447 CG ARG A 89 0.173 -8.548 -10.523 1.00 0.00 C ATOM 1448 CD ARG A 89 -0.024 -9.355 -11.797 1.00 0.00 C ATOM 1449 NE ARG A 89 0.032 -8.516 -12.991 1.00 0.00 N ATOM 1450 CZ ARG A 89 -0.898 -7.621 -13.304 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -1.951 -7.450 -12.516 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -0.776 -6.895 -14.408 1.00 0.00 N ATOM 0 H ARG A 89 -0.273 -10.640 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 89 1.682 -8.917 -8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.018 -10.417 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.234 -9.264 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.453 -7.656 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.207 -8.210 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.744 -10.126 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.986 -9.865 -11.758 1.00 0.00 H new ATOM 0 HE ARG A 89 0.829 -8.623 -13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.048 -8.007 -11.667 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.664 -6.762 -12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.032 -7.024 -15.017 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.490 -6.208 -14.648 1.00 0.00 H new ATOM 1466 N GLN A 90 -0.901 -7.521 -6.813 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.425 -6.257 -6.308 1.00 0.00 C ATOM 1468 C GLN A 90 -1.694 -6.340 -4.809 1.00 0.00 C ATOM 1469 O GLN A 90 -2.141 -7.371 -4.305 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.709 -5.880 -7.049 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.645 -7.056 -7.281 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.571 -7.305 -6.106 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.367 -8.237 -5.328 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.595 -6.471 -5.972 1.00 0.00 N ATOM 0 H GLN A 90 -1.432 -8.343 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.675 -5.486 -6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.236 -5.114 -6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.447 -5.439 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.240 -6.871 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.055 -7.953 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.725 -5.712 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.251 -6.589 -5.200 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.420 -5.249 -4.102 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.634 -5.198 -2.662 1.00 0.00 C ATOM 1485 C ILE A 91 -2.877 -4.384 -2.318 1.00 0.00 C ATOM 1486 O ILE A 91 -2.942 -3.187 -2.595 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.420 -4.592 -1.933 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.856 -5.352 -2.302 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.640 -4.615 -0.428 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.077 -4.889 -1.540 1.00 0.00 C ATOM 0 H ILE A 91 -1.049 -4.388 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.772 -6.226 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.307 -3.555 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.703 -6.415 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.040 -5.239 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.227 -4.183 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.529 -4.034 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.776 -5.644 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.944 -5.472 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.256 -3.834 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.913 -5.028 -0.471 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.861 -5.043 -1.713 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.101 -4.379 -1.331 1.00 0.00 C ATOM 1504 C GLU A 92 -5.009 -3.827 0.088 1.00 0.00 C ATOM 1505 O GLU A 92 -4.995 -4.583 1.061 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.279 -5.351 -1.437 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.403 -6.011 -2.799 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.263 -7.260 -2.767 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.398 -7.185 -2.252 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -6.801 -8.311 -3.257 1.00 0.00 O ATOM 0 H GLU A 92 -3.823 -6.035 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.263 -3.546 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.170 -6.124 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.202 -4.815 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.829 -5.299 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.409 -6.268 -3.166 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.944 -2.505 0.199 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.852 -1.850 1.500 1.00 0.00 C ATOM 1519 C LEU A 93 -6.206 -1.288 1.923 1.00 0.00 C ATOM 1520 O LEU A 93 -6.837 -0.538 1.180 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.813 -0.729 1.456 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.440 -1.109 0.900 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.755 0.106 0.294 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.574 -1.723 1.990 1.00 0.00 C ATOM 0 H LEU A 93 -4.953 -1.865 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.543 -2.595 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.213 0.087 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.680 -0.344 2.467 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.580 -1.851 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.779 -0.183 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.367 0.502 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.627 0.871 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.601 -1.987 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.441 -1.003 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.058 -2.619 2.378 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.643 -1.654 3.123 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.919 -1.183 3.648 1.00 0.00 C ATOM 1538 C ALA A 94 -7.713 -0.101 4.702 1.00 0.00 C ATOM 1539 O ALA A 94 -6.757 -0.149 5.477 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.712 -2.344 4.229 1.00 0.00 C ATOM 0 H ALA A 94 -6.132 -2.275 3.750 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.484 -0.748 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.662 -1.977 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.899 -3.083 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.144 -2.805 5.037 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.615 0.875 4.725 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.531 1.971 5.684 1.00 0.00 C ATOM 1548 C CYS A 95 -9.757 1.995 6.591 1.00 0.00 C ATOM 1549 O CYS A 95 -10.708 1.241 6.386 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.396 3.307 4.952 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.704 3.713 4.461 1.00 0.00 S ATOM 0 H CYS A 95 -9.412 0.929 4.091 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.648 1.813 6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.026 3.287 4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.777 4.101 5.594 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.693 4.859 3.848 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.726 2.865 7.594 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.835 2.987 8.534 1.00 0.00 C ATOM 1559 C ASP A 96 -11.912 3.918 7.985 1.00 0.00 C ATOM 1560 O ASP A 96 -13.103 3.617 8.058 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.334 3.506 9.883 1.00 0.00 C ATOM 1562 CG ASP A 96 -9.138 2.727 10.394 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -9.345 1.724 11.108 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -7.995 3.121 10.081 1.00 0.00 O ATOM 0 H ASP A 96 -8.946 3.496 7.777 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.271 1.998 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.065 4.558 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.141 3.448 10.614 1.00 0.00 H new ATOM 1569 N SER A 97 -11.484 5.052 7.438 1.00 0.00 N ATOM 1570 CA SER A 97 -12.412 6.029 6.881 1.00 0.00 C ATOM 1571 C SER A 97 -11.828 6.683 5.633 1.00 0.00 C ATOM 1572 O SER A 97 -10.619 6.645 5.408 1.00 0.00 O ATOM 1573 CB SER A 97 -12.744 7.099 7.924 1.00 0.00 C ATOM 1574 OG SER A 97 -14.053 7.609 7.732 1.00 0.00 O ATOM 0 H SER A 97 -10.501 5.316 7.369 1.00 0.00 H new ATOM 0 HA SER A 97 -13.327 5.507 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.658 6.675 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.020 7.912 7.859 1.00 0.00 H new ATOM 0 HG SER A 97 -14.242 8.289 8.411 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.697 7.283 4.826 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.268 7.945 3.599 1.00 0.00 C ATOM 1582 C GLN A 98 -11.097 8.884 3.869 1.00 0.00 C ATOM 1583 O GLN A 98 -10.101 8.872 3.146 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.430 8.725 2.982 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.130 9.267 1.594 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.916 8.168 0.572 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -11.657 7.901 0.245 1.00 0.00 O flip ATOM 1588 NE2 GLN A 98 -13.872 7.565 0.082 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.701 7.325 4.999 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.941 7.178 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.304 8.076 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.689 9.555 3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.954 9.903 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.240 9.895 1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.823 7.803 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -13.712 6.827 -0.604 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.224 9.697 4.913 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.175 10.643 5.277 1.00 0.00 C ATOM 1599 C GLU A 99 -8.793 10.044 5.032 1.00 0.00 C ATOM 1600 O GLU A 99 -7.928 10.679 4.428 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.313 11.052 6.744 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.513 11.943 7.018 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.358 13.330 6.425 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -10.255 13.904 6.542 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -12.338 13.842 5.845 1.00 0.00 O ATOM 0 H GLU A 99 -12.042 9.720 5.521 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.285 11.527 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.391 10.154 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.407 11.572 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.409 11.475 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.660 12.027 8.095 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.594 8.819 5.505 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.318 8.133 5.337 1.00 0.00 C ATOM 1614 C ASP A 100 -7.000 7.930 3.859 1.00 0.00 C ATOM 1615 O ASP A 100 -6.019 8.468 3.345 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.342 6.783 6.056 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.053 6.912 7.539 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.103 7.639 7.898 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -7.777 6.286 8.341 1.00 0.00 O ATOM 0 H ASP A 100 -9.300 8.281 6.008 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.538 8.756 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.318 6.318 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.606 6.119 5.602 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.835 7.149 3.181 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.642 6.875 1.762 1.00 0.00 C ATOM 1626 C VAL A 101 -7.365 8.158 0.987 1.00 0.00 C ATOM 1627 O VAL A 101 -6.313 8.305 0.366 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.873 6.176 1.154 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.700 6.000 -0.347 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.114 4.836 1.832 1.00 0.00 C ATOM 0 H VAL A 101 -8.651 6.695 3.591 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.780 6.213 1.681 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.747 6.805 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.579 5.505 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.580 6.976 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.816 5.393 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.987 4.356 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.241 4.197 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.286 4.993 2.897 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.316 9.085 1.028 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.174 10.357 0.331 1.00 0.00 C ATOM 1642 C ASP A 102 -6.796 10.963 0.580 1.00 0.00 C ATOM 1643 O ASP A 102 -6.076 11.298 -0.360 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.263 11.334 0.781 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.371 12.540 -0.131 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.716 12.358 -1.318 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.111 13.666 0.342 1.00 0.00 O ATOM 0 H ASP A 102 -9.194 8.979 1.537 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.282 10.171 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.222 10.817 0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.050 11.668 1.797 1.00 0.00 H new ATOM 1652 N SER A 103 -6.437 11.101 1.852 1.00 0.00 N ATOM 1653 CA SER A 103 -5.148 11.671 2.225 1.00 0.00 C ATOM 1654 C SER A 103 -4.002 10.840 1.656 1.00 0.00 C ATOM 1655 O SER A 103 -2.979 11.380 1.235 1.00 0.00 O ATOM 1656 CB SER A 103 -5.025 11.755 3.747 1.00 0.00 C ATOM 1657 OG SER A 103 -4.147 12.799 4.131 1.00 0.00 O ATOM 0 H SER A 103 -7.021 10.826 2.642 1.00 0.00 H new ATOM 0 HA SER A 103 -5.088 12.676 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.009 11.923 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.659 10.806 4.138 1.00 0.00 H new ATOM 0 HG SER A 103 -4.087 12.833 5.109 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.182 9.524 1.647 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.163 8.617 1.129 1.00 0.00 C ATOM 1665 C TRP A 104 -2.933 8.849 -0.360 1.00 0.00 C ATOM 1666 O TRP A 104 -1.856 9.281 -0.772 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.573 7.164 1.374 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.123 6.636 2.703 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.915 6.146 3.701 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.775 6.546 3.177 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.141 5.757 4.768 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.825 5.992 4.471 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.531 6.879 2.634 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.678 5.765 5.228 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.606 6.653 3.387 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.526 6.100 4.672 1.00 0.00 C ATOM 0 H TRP A 104 -5.023 9.061 1.992 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.231 8.818 1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.658 7.084 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.158 6.539 0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.992 6.074 3.658 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.490 5.358 5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.459 7.305 1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.737 5.340 6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.573 6.907 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.433 5.935 5.235 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.951 8.561 -1.163 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.861 8.739 -2.608 1.00 0.00 C ATOM 1689 C LYS A 105 -3.217 10.079 -2.951 1.00 0.00 C ATOM 1690 O LYS A 105 -2.433 10.177 -3.895 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.252 8.654 -3.241 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.947 7.324 -3.004 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.409 7.378 -3.414 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.942 5.996 -3.759 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.417 6.007 -3.966 1.00 0.00 N ATOM 0 H LYS A 105 -4.849 8.203 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.236 7.941 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.873 9.456 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.165 8.823 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.439 6.541 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.873 7.057 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.000 7.805 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.523 8.038 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.451 5.632 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.693 5.300 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.742 5.047 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.887 6.330 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.653 6.652 -4.747 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.551 11.107 -2.178 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.002 12.439 -2.399 1.00 0.00 C ATOM 1711 C ALA A 106 -1.525 12.493 -2.023 1.00 0.00 C ATOM 1712 O ALA A 106 -0.717 13.096 -2.729 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.788 13.472 -1.605 1.00 0.00 C ATOM 0 H ALA A 106 -4.199 11.043 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.089 12.669 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.367 14.462 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.830 13.460 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.730 13.235 -0.543 1.00 0.00 H new ATOM 1719 N SER A 107 -1.179 11.859 -0.907 1.00 0.00 N ATOM 1720 CA SER A 107 0.201 11.838 -0.436 1.00 0.00 C ATOM 1721 C SER A 107 1.119 11.196 -1.471 1.00 0.00 C ATOM 1722 O SER A 107 2.264 11.615 -1.646 1.00 0.00 O ATOM 1723 CB SER A 107 0.298 11.080 0.889 1.00 0.00 C ATOM 1724 OG SER A 107 0.508 9.696 0.670 1.00 0.00 O ATOM 0 H SER A 107 -1.835 11.353 -0.312 1.00 0.00 H new ATOM 0 HA SER A 107 0.522 12.868 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.116 11.485 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.617 11.226 1.463 1.00 0.00 H new ATOM 0 HG SER A 107 -0.234 9.332 0.143 1.00 0.00 H new ATOM 1730 N PHE A 108 0.609 10.177 -2.154 1.00 0.00 N ATOM 1731 CA PHE A 108 1.383 9.476 -3.172 1.00 0.00 C ATOM 1732 C PHE A 108 1.804 10.428 -4.287 1.00 0.00 C ATOM 1733 O PHE A 108 2.966 10.447 -4.696 1.00 0.00 O ATOM 1734 CB PHE A 108 0.568 8.318 -3.754 1.00 0.00 C ATOM 1735 CG PHE A 108 0.720 7.034 -2.990 1.00 0.00 C ATOM 1736 CD1 PHE A 108 -0.105 6.753 -1.913 1.00 0.00 C ATOM 1737 CD2 PHE A 108 1.687 6.109 -3.348 1.00 0.00 C ATOM 1738 CE1 PHE A 108 0.031 5.572 -1.207 1.00 0.00 C ATOM 1739 CE2 PHE A 108 1.828 4.927 -2.646 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.000 4.658 -1.574 1.00 0.00 C ATOM 0 H PHE A 108 -0.337 9.818 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 108 2.282 9.078 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.485 8.598 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.872 8.154 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.863 7.465 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 108 2.338 6.314 -4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.619 5.364 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.586 4.214 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.110 3.735 -1.024 1.00 0.00 H new ATOM 1750 N LEU A 109 0.853 11.215 -4.775 1.00 0.00 N ATOM 1751 CA LEU A 109 1.124 12.170 -5.844 1.00 0.00 C ATOM 1752 C LEU A 109 2.457 12.876 -5.619 1.00 0.00 C ATOM 1753 O LEU A 109 3.328 12.870 -6.489 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.003 13.201 -5.932 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.164 12.849 -6.862 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -0.763 13.047 -8.316 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.623 11.418 -6.624 1.00 0.00 C ATOM 0 H LEU A 109 -0.113 11.211 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 109 1.179 11.620 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.402 13.360 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.424 14.149 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.996 13.518 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.602 12.791 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.484 14.088 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.085 12.403 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.450 11.185 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.796 10.734 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.952 11.309 -5.591 1.00 0.00 H new ATOM 1769 N ARG A 110 2.610 13.480 -4.445 1.00 0.00 N ATOM 1770 CA ARG A 110 3.838 14.189 -4.105 1.00 0.00 C ATOM 1771 C ARG A 110 5.064 13.342 -4.436 1.00 0.00 C ATOM 1772 O ARG A 110 6.108 13.868 -4.822 1.00 0.00 O ATOM 1773 CB ARG A 110 3.845 14.558 -2.621 1.00 0.00 C ATOM 1774 CG ARG A 110 3.217 15.911 -2.326 1.00 0.00 C ATOM 1775 CD ARG A 110 4.130 17.052 -2.748 1.00 0.00 C ATOM 1776 NE ARG A 110 3.888 17.465 -4.128 1.00 0.00 N ATOM 1777 CZ ARG A 110 4.699 18.267 -4.808 1.00 0.00 C ATOM 1778 NH1 ARG A 110 5.800 18.740 -4.239 1.00 0.00 N ATOM 1779 NH2 ARG A 110 4.411 18.598 -6.060 1.00 0.00 N ATOM 0 H ARG A 110 1.899 13.493 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 110 3.877 15.102 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.311 13.790 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.874 14.558 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.264 15.993 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.003 15.990 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.978 17.902 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.170 16.744 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 110 3.050 17.118 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.025 18.488 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.421 19.356 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.566 18.236 -6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.035 19.214 -6.581 1.00 0.00 H new ATOM 1793 N ALA A 111 4.929 12.029 -4.280 1.00 0.00 N ATOM 1794 CA ALA A 111 6.024 11.110 -4.563 1.00 0.00 C ATOM 1795 C ALA A 111 6.197 10.908 -6.065 1.00 0.00 C ATOM 1796 O ALA A 111 7.288 10.591 -6.537 1.00 0.00 O ATOM 1797 CB ALA A 111 5.785 9.775 -3.874 1.00 0.00 C ATOM 0 H ALA A 111 4.072 11.578 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 111 6.943 11.548 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.611 9.099 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.719 9.928 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.854 9.340 -4.236 1.00 0.00 H new ATOM 1803 N GLY A 112 5.113 11.094 -6.812 1.00 0.00 N ATOM 1804 CA GLY A 112 5.167 10.927 -8.252 1.00 0.00 C ATOM 1805 C GLY A 112 4.546 9.622 -8.708 1.00 0.00 C ATOM 1806 O GLY A 112 5.061 8.962 -9.610 1.00 0.00 O ATOM 0 H GLY A 112 4.198 11.357 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.650 11.759 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.206 10.966 -8.580 1.00 0.00 H new ATOM 1810 N VAL A 113 3.435 9.247 -8.082 1.00 0.00 N ATOM 1811 CA VAL A 113 2.742 8.011 -8.428 1.00 0.00 C ATOM 1812 C VAL A 113 2.122 8.099 -9.818 1.00 0.00 C ATOM 1813 O VAL A 113 2.188 9.139 -10.473 1.00 0.00 O ATOM 1814 CB VAL A 113 1.639 7.681 -7.406 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.839 8.928 -7.061 1.00 0.00 C ATOM 1816 CG2 VAL A 113 0.729 6.584 -7.939 1.00 0.00 C ATOM 0 H VAL A 113 2.995 9.781 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 113 3.488 7.216 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 113 2.111 7.318 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.064 8.675 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.503 9.680 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.376 9.325 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.045 6.364 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.263 6.916 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.315 5.685 -8.129 1.00 0.00 H new TER 1826 VAL A 113