USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot 78:sc= 0.784 USER MOD Set 1.2: A 95 CYS SG : rot -150:sc= 0.522 USER MOD Set 2.1: A 83 GLN : amide:sc= -4.67 K(o=-4.7,f=-8.9!) USER MOD Set 2.2: A 93 SER OG : rot 170:sc= 0 USER MOD Set 3.1: A 63 THR OG1 : rot 33:sc= 0.14 USER MOD Set 3.2: A 106 LYS NZ :NH3+ -126:sc= 0.0219 (180deg=0) USER MOD Set 4.1: A 54 MET CE :methyl -146:sc= -4.58! (180deg=-6.63!) USER MOD Set 4.2: A 58 CYS SG : rot 43:sc= -4.5! USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0133 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.07) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.53!) USER MOD Single : A 27 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.363 K(o=-0.36,f=-6.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-4.7!) USER MOD Single : A 60 ASN : amide:sc= -0.711 K(o=-0.71,f=-0.078) USER MOD Single : A 65 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-4.3!) USER MOD Single : A 67 CYS SG : rot 180:sc= -3.7 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 0.0112 (180deg=0) USER MOD Single : A 86 CYS SG : rot -103:sc= -0.466 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.734) USER MOD Single : A 91 THR OG1 : rot 41:sc= 0.18 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -166:sc= 0.531 USER MOD Single : A 108 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 110 GLN : amide:sc= -7.87! C(o=-7.9!,f=-7.1!) USER MOD Single : A 112 SER OG : rot -26:sc= 0.978 USER MOD Single : A 114 THR OG1 : rot 27:sc= -0.0473 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.162 -9.170 -3.955 1.00 0.00 N ATOM 2 CA GLY A 1 -29.844 -9.738 -4.172 1.00 0.00 C ATOM 3 C GLY A 1 -28.775 -8.676 -4.339 1.00 0.00 C ATOM 4 O GLY A 1 -29.033 -7.608 -4.895 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.851 -9.645 -4.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.438 -9.303 -2.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.143 -8.154 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.585 -10.380 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.866 -10.370 -5.060 1.00 0.00 H new ATOM 8 N SER A 2 -27.572 -8.968 -3.855 1.00 0.00 N ATOM 9 CA SER A 2 -26.462 -8.027 -3.948 1.00 0.00 C ATOM 10 C SER A 2 -25.966 -7.913 -5.386 1.00 0.00 C ATOM 11 O SER A 2 -26.238 -8.778 -6.218 1.00 0.00 O ATOM 12 CB SER A 2 -25.316 -8.467 -3.034 1.00 0.00 C ATOM 13 OG SER A 2 -24.526 -7.359 -2.638 1.00 0.00 O ATOM 0 H SER A 2 -27.341 -9.848 -3.395 1.00 0.00 H new ATOM 0 HA SER A 2 -26.819 -7.048 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.720 -8.963 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.693 -9.196 -3.552 1.00 0.00 H new ATOM 0 HG SER A 2 -23.802 -7.666 -2.053 1.00 0.00 H new ATOM 19 N SER A 3 -25.237 -6.839 -5.670 1.00 0.00 N ATOM 20 CA SER A 3 -24.705 -6.608 -7.008 1.00 0.00 C ATOM 21 C SER A 3 -24.032 -7.866 -7.550 1.00 0.00 C ATOM 22 O SER A 3 -24.381 -8.357 -8.622 1.00 0.00 O ATOM 23 CB SER A 3 -23.706 -5.449 -6.990 1.00 0.00 C ATOM 24 OG SER A 3 -23.236 -5.161 -8.296 1.00 0.00 O ATOM 0 H SER A 3 -25.001 -6.115 -4.992 1.00 0.00 H new ATOM 0 HA SER A 3 -25.537 -6.351 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.179 -4.563 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.864 -5.700 -6.344 1.00 0.00 H new ATOM 0 HG SER A 3 -22.601 -4.416 -8.258 1.00 0.00 H new ATOM 30 N GLY A 4 -23.064 -8.382 -6.799 1.00 0.00 N ATOM 31 CA GLY A 4 -22.356 -9.577 -7.219 1.00 0.00 C ATOM 32 C GLY A 4 -20.878 -9.327 -7.443 1.00 0.00 C ATOM 33 O GLY A 4 -20.036 -10.114 -7.011 1.00 0.00 O ATOM 0 H GLY A 4 -22.757 -7.994 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.480 -10.353 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.801 -9.954 -8.140 1.00 0.00 H new ATOM 37 N SER A 5 -20.561 -8.229 -8.122 1.00 0.00 N ATOM 38 CA SER A 5 -19.174 -7.881 -8.408 1.00 0.00 C ATOM 39 C SER A 5 -18.879 -6.443 -7.994 1.00 0.00 C ATOM 40 O SER A 5 -19.711 -5.552 -8.165 1.00 0.00 O ATOM 41 CB SER A 5 -18.877 -8.065 -9.898 1.00 0.00 C ATOM 42 OG SER A 5 -19.565 -7.104 -10.678 1.00 0.00 O ATOM 0 H SER A 5 -21.246 -7.565 -8.484 1.00 0.00 H new ATOM 0 HA SER A 5 -18.532 -8.547 -7.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.804 -7.978 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.170 -9.068 -10.209 1.00 0.00 H new ATOM 0 HG SER A 5 -19.357 -7.242 -11.626 1.00 0.00 H new ATOM 48 N SER A 6 -17.687 -6.224 -7.447 1.00 0.00 N ATOM 49 CA SER A 6 -17.282 -4.896 -7.003 1.00 0.00 C ATOM 50 C SER A 6 -16.012 -4.448 -7.720 1.00 0.00 C ATOM 51 O SER A 6 -15.068 -5.221 -7.876 1.00 0.00 O ATOM 52 CB SER A 6 -17.058 -4.886 -5.490 1.00 0.00 C ATOM 53 OG SER A 6 -17.024 -3.562 -4.987 1.00 0.00 O ATOM 0 H SER A 6 -16.985 -6.950 -7.301 1.00 0.00 H new ATOM 0 HA SER A 6 -18.083 -4.198 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.854 -5.445 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.121 -5.392 -5.255 1.00 0.00 H new ATOM 0 HG SER A 6 -16.881 -3.584 -4.018 1.00 0.00 H new ATOM 59 N GLY A 7 -15.997 -3.191 -8.154 1.00 0.00 N ATOM 60 CA GLY A 7 -14.838 -2.660 -8.849 1.00 0.00 C ATOM 61 C GLY A 7 -13.905 -1.902 -7.926 1.00 0.00 C ATOM 62 O GLY A 7 -14.349 -1.096 -7.108 1.00 0.00 O ATOM 0 H GLY A 7 -16.766 -2.531 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.293 -3.479 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.170 -1.998 -9.649 1.00 0.00 H new ATOM 66 N PHE A 8 -12.608 -2.162 -8.055 1.00 0.00 N ATOM 67 CA PHE A 8 -11.610 -1.501 -7.223 1.00 0.00 C ATOM 68 C PHE A 8 -11.109 -0.222 -7.888 1.00 0.00 C ATOM 69 O PHE A 8 -10.876 -0.187 -9.096 1.00 0.00 O ATOM 70 CB PHE A 8 -10.434 -2.442 -6.954 1.00 0.00 C ATOM 71 CG PHE A 8 -10.851 -3.859 -6.680 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.596 -4.170 -5.554 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.499 -4.879 -7.549 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.981 -5.473 -5.300 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.881 -6.184 -7.300 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.624 -6.481 -6.174 1.00 0.00 C ATOM 0 H PHE A 8 -12.224 -2.826 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.080 -1.238 -6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.764 -2.429 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.867 -2.067 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.879 -3.386 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.919 -4.652 -8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.561 -5.703 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.599 -6.970 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.925 -7.499 -5.978 1.00 0.00 H new ATOM 86 N VAL A 9 -10.948 0.829 -7.090 1.00 0.00 N ATOM 87 CA VAL A 9 -10.475 2.111 -7.600 1.00 0.00 C ATOM 88 C VAL A 9 -9.185 1.944 -8.395 1.00 0.00 C ATOM 89 O VAL A 9 -9.108 2.323 -9.563 1.00 0.00 O ATOM 90 CB VAL A 9 -10.234 3.115 -6.457 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.962 4.504 -7.015 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.423 3.136 -5.508 1.00 0.00 C ATOM 0 H VAL A 9 -11.138 0.818 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.255 2.498 -8.256 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.355 2.797 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.794 5.200 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.077 4.474 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.819 4.835 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.236 3.851 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.319 3.430 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.567 2.143 -5.083 1.00 0.00 H new ATOM 102 N LYS A 10 -8.171 1.372 -7.753 1.00 0.00 N ATOM 103 CA LYS A 10 -6.882 1.152 -8.400 1.00 0.00 C ATOM 104 C LYS A 10 -6.236 -0.135 -7.900 1.00 0.00 C ATOM 105 O LYS A 10 -5.984 -0.292 -6.705 1.00 0.00 O ATOM 106 CB LYS A 10 -5.950 2.338 -8.141 1.00 0.00 C ATOM 107 CG LYS A 10 -4.542 2.131 -8.671 1.00 0.00 C ATOM 108 CD LYS A 10 -3.624 3.276 -8.278 1.00 0.00 C ATOM 109 CE LYS A 10 -2.164 2.933 -8.532 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.867 2.815 -9.986 1.00 0.00 N ATOM 0 H LYS A 10 -8.217 1.052 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.052 1.059 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.375 3.230 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.902 2.524 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.141 1.194 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.570 2.043 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.892 4.169 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.765 3.511 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.529 3.702 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.919 1.995 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.862 2.580 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.455 2.064 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.076 3.718 -10.457 1.00 0.00 H new ATOM 124 N SER A 11 -5.968 -1.054 -8.822 1.00 0.00 N ATOM 125 CA SER A 11 -5.352 -2.330 -8.474 1.00 0.00 C ATOM 126 C SER A 11 -3.974 -2.460 -9.115 1.00 0.00 C ATOM 127 O SER A 11 -3.806 -2.213 -10.308 1.00 0.00 O ATOM 128 CB SER A 11 -6.246 -3.489 -8.918 1.00 0.00 C ATOM 129 OG SER A 11 -6.519 -3.420 -10.307 1.00 0.00 O ATOM 0 H SER A 11 -6.168 -0.939 -9.816 1.00 0.00 H new ATOM 0 HA SER A 11 -5.234 -2.366 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.760 -4.437 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.181 -3.466 -8.359 1.00 0.00 H new ATOM 0 HG SER A 11 -7.091 -4.173 -10.566 1.00 0.00 H new ATOM 135 N GLY A 12 -2.989 -2.852 -8.311 1.00 0.00 N ATOM 136 CA GLY A 12 -1.638 -3.009 -8.816 1.00 0.00 C ATOM 137 C GLY A 12 -0.747 -3.778 -7.861 1.00 0.00 C ATOM 138 O GLY A 12 -1.189 -4.193 -6.789 1.00 0.00 O ATOM 0 H GLY A 12 -3.103 -3.063 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.670 -3.527 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.205 -2.025 -8.999 1.00 0.00 H new ATOM 142 N TRP A 13 0.508 -3.970 -8.250 1.00 0.00 N ATOM 143 CA TRP A 13 1.462 -4.697 -7.420 1.00 0.00 C ATOM 144 C TRP A 13 2.321 -3.734 -6.608 1.00 0.00 C ATOM 145 O TRP A 13 2.782 -2.714 -7.121 1.00 0.00 O ATOM 146 CB TRP A 13 2.353 -5.585 -8.290 1.00 0.00 C ATOM 147 CG TRP A 13 1.675 -6.842 -8.745 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.884 -6.993 -9.848 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.726 -8.123 -8.107 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.441 -8.291 -9.935 1.00 0.00 N ATOM 151 CE2 TRP A 13 0.944 -9.004 -8.879 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.358 -8.611 -6.961 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.779 -10.344 -8.539 1.00 0.00 C ATOM 154 CZ3 TRP A 13 2.193 -9.941 -6.624 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.409 -10.796 -7.411 1.00 0.00 C ATOM 0 H TRP A 13 0.889 -3.633 -9.134 1.00 0.00 H new ATOM 0 HA TRP A 13 0.900 -5.325 -6.728 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.676 -5.019 -9.163 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.251 -5.847 -7.730 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.642 -6.208 -10.549 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.164 -8.663 -10.667 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.965 -7.960 -6.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.175 -11.004 -9.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.676 -10.328 -5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.300 -11.831 -7.122 1.00 0.00 H new ATOM 166 N LEU A 14 2.534 -4.065 -5.339 1.00 0.00 N ATOM 167 CA LEU A 14 3.339 -3.229 -4.455 1.00 0.00 C ATOM 168 C LEU A 14 4.033 -4.072 -3.390 1.00 0.00 C ATOM 169 O LEU A 14 3.496 -5.083 -2.937 1.00 0.00 O ATOM 170 CB LEU A 14 2.464 -2.165 -3.789 1.00 0.00 C ATOM 171 CG LEU A 14 1.571 -1.349 -4.725 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.657 -0.433 -3.925 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.415 -0.544 -5.701 1.00 0.00 C ATOM 0 H LEU A 14 2.161 -4.906 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 14 4.103 -2.737 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.830 -2.655 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.113 -1.477 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 14 0.950 -2.039 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.029 0.140 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.027 -1.032 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.260 0.250 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.762 0.030 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.062 0.137 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.027 -1.221 -6.297 1.00 0.00 H new ATOM 185 N LEU A 15 5.228 -3.649 -2.994 1.00 0.00 N ATOM 186 CA LEU A 15 5.995 -4.364 -1.980 1.00 0.00 C ATOM 187 C LEU A 15 5.510 -4.008 -0.578 1.00 0.00 C ATOM 188 O LEU A 15 4.953 -2.932 -0.358 1.00 0.00 O ATOM 189 CB LEU A 15 7.484 -4.038 -2.114 1.00 0.00 C ATOM 190 CG LEU A 15 8.092 -4.240 -3.502 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.251 -3.280 -3.722 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.550 -5.680 -3.680 1.00 0.00 C ATOM 0 H LEU A 15 5.687 -2.815 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 15 5.847 -5.433 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.636 -2.999 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.036 -4.654 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 15 7.325 -4.029 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.671 -3.438 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.894 -2.253 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.020 -3.459 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.980 -5.805 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.301 -5.919 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.697 -6.350 -3.567 1.00 0.00 H new ATOM 204 N ARG A 16 5.727 -4.917 0.366 1.00 0.00 N ATOM 205 CA ARG A 16 5.312 -4.699 1.747 1.00 0.00 C ATOM 206 C ARG A 16 6.316 -5.311 2.719 1.00 0.00 C ATOM 207 O ARG A 16 6.617 -6.503 2.647 1.00 0.00 O ATOM 208 CB ARG A 16 3.925 -5.297 1.986 1.00 0.00 C ATOM 209 CG ARG A 16 3.287 -4.853 3.292 1.00 0.00 C ATOM 210 CD ARG A 16 1.929 -5.505 3.498 1.00 0.00 C ATOM 211 NE ARG A 16 1.247 -4.988 4.682 1.00 0.00 N ATOM 212 CZ ARG A 16 1.457 -5.448 5.910 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.324 -6.430 6.115 1.00 0.00 N ATOM 214 NH2 ARG A 16 0.798 -4.926 6.937 1.00 0.00 N ATOM 0 H ARG A 16 6.188 -5.812 0.200 1.00 0.00 H new ATOM 0 HA ARG A 16 5.271 -3.624 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.271 -5.019 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.001 -6.384 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.944 -5.107 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.175 -3.769 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.308 -5.334 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.056 -6.583 3.595 1.00 0.00 H new ATOM 0 HE ARG A 16 0.573 -4.233 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.832 -6.834 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.483 -6.781 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.130 -4.171 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.960 -5.280 7.880 1.00 0.00 H new ATOM 228 N GLN A 17 6.832 -4.488 3.626 1.00 0.00 N ATOM 229 CA GLN A 17 7.803 -4.949 4.612 1.00 0.00 C ATOM 230 C GLN A 17 7.108 -5.654 5.772 1.00 0.00 C ATOM 231 O GLN A 17 6.519 -5.010 6.640 1.00 0.00 O ATOM 232 CB GLN A 17 8.627 -3.771 5.135 1.00 0.00 C ATOM 233 CG GLN A 17 10.035 -4.156 5.562 1.00 0.00 C ATOM 234 CD GLN A 17 10.805 -2.991 6.150 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.965 -2.888 7.367 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.289 -2.105 5.288 1.00 0.00 N ATOM 0 H GLN A 17 6.594 -3.499 3.699 1.00 0.00 H new ATOM 0 HA GLN A 17 8.469 -5.662 4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.687 -3.008 4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.109 -3.324 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.981 -4.959 6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.577 -4.548 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.133 -2.229 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.817 -1.300 5.626 1.00 0.00 H new ATOM 245 N SER A 18 7.181 -6.981 5.780 1.00 0.00 N ATOM 246 CA SER A 18 6.556 -7.775 6.831 1.00 0.00 C ATOM 247 C SER A 18 7.379 -7.722 8.114 1.00 0.00 C ATOM 248 O SER A 18 8.563 -7.383 8.094 1.00 0.00 O ATOM 249 CB SER A 18 6.393 -9.226 6.375 1.00 0.00 C ATOM 250 OG SER A 18 6.010 -10.060 7.455 1.00 0.00 O ATOM 0 H SER A 18 7.667 -7.529 5.070 1.00 0.00 H new ATOM 0 HA SER A 18 5.572 -7.353 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.643 -9.280 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.330 -9.584 5.949 1.00 0.00 H new ATOM 0 HG SER A 18 5.911 -10.982 7.137 1.00 0.00 H new ATOM 256 N THR A 19 6.744 -8.061 9.232 1.00 0.00 N ATOM 257 CA THR A 19 7.416 -8.052 10.525 1.00 0.00 C ATOM 258 C THR A 19 8.157 -9.361 10.769 1.00 0.00 C ATOM 259 O THR A 19 9.074 -9.423 11.589 1.00 0.00 O ATOM 260 CB THR A 19 6.418 -7.818 11.675 1.00 0.00 C ATOM 261 OG1 THR A 19 5.702 -6.596 11.462 1.00 0.00 O ATOM 262 CG2 THR A 19 7.138 -7.763 13.014 1.00 0.00 C ATOM 0 H THR A 19 5.765 -8.345 9.267 1.00 0.00 H new ATOM 0 HA THR A 19 8.133 -7.231 10.503 1.00 0.00 H new ATOM 0 HB THR A 19 5.716 -8.652 11.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.069 -6.456 12.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.413 -7.597 13.811 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.657 -8.706 13.187 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.861 -6.947 13.005 1.00 0.00 H new ATOM 270 N ILE A 20 7.755 -10.405 10.053 1.00 0.00 N ATOM 271 CA ILE A 20 8.383 -11.713 10.191 1.00 0.00 C ATOM 272 C ILE A 20 9.473 -11.914 9.143 1.00 0.00 C ATOM 273 O ILE A 20 10.506 -12.526 9.415 1.00 0.00 O ATOM 274 CB ILE A 20 7.351 -12.850 10.066 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.262 -12.698 11.130 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.036 -14.203 10.191 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.778 -12.179 12.454 1.00 0.00 C ATOM 0 H ILE A 20 6.997 -10.371 9.371 1.00 0.00 H new ATOM 0 HA ILE A 20 8.828 -11.745 11.185 1.00 0.00 H new ATOM 0 HB ILE A 20 6.884 -12.791 9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.494 -12.020 10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.784 -13.664 11.289 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.294 -14.996 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.779 -14.309 9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.527 -14.274 11.162 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.951 -12.097 13.160 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.525 -12.868 12.849 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.230 -11.198 12.309 1.00 0.00 H new ATOM 289 N LEU A 21 9.235 -11.393 7.944 1.00 0.00 N ATOM 290 CA LEU A 21 10.197 -11.512 6.854 1.00 0.00 C ATOM 291 C LEU A 21 11.173 -10.340 6.858 1.00 0.00 C ATOM 292 O LEU A 21 12.194 -10.365 6.170 1.00 0.00 O ATOM 293 CB LEU A 21 9.469 -11.579 5.510 1.00 0.00 C ATOM 294 CG LEU A 21 8.450 -12.708 5.354 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.428 -12.361 4.282 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.151 -14.017 5.022 1.00 0.00 C ATOM 0 H LEU A 21 8.385 -10.884 7.702 1.00 0.00 H new ATOM 0 HA LEU A 21 10.762 -12.432 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.957 -10.630 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.214 -11.677 4.720 1.00 0.00 H new ATOM 0 HG LEU A 21 7.925 -12.831 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.711 -13.176 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.903 -11.448 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.936 -12.210 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.410 -14.809 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.703 -13.907 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.843 -14.273 5.825 1.00 0.00 H new ATOM 308 N LYS A 22 10.855 -9.315 7.641 1.00 0.00 N ATOM 309 CA LYS A 22 11.705 -8.134 7.739 1.00 0.00 C ATOM 310 C LYS A 22 12.340 -7.807 6.391 1.00 0.00 C ATOM 311 O LYS A 22 13.525 -7.482 6.315 1.00 0.00 O ATOM 312 CB LYS A 22 12.796 -8.352 8.789 1.00 0.00 C ATOM 313 CG LYS A 22 12.330 -8.096 10.212 1.00 0.00 C ATOM 314 CD LYS A 22 13.476 -7.641 11.101 1.00 0.00 C ATOM 315 CE LYS A 22 13.214 -7.972 12.562 1.00 0.00 C ATOM 316 NZ LYS A 22 14.465 -7.947 13.370 1.00 0.00 N ATOM 0 H LYS A 22 10.014 -9.278 8.217 1.00 0.00 H new ATOM 0 HA LYS A 22 11.082 -7.292 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.161 -9.376 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.638 -7.696 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.548 -7.337 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.890 -9.006 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.400 -8.120 10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.619 -6.566 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.501 -7.257 12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.755 -8.958 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.244 -8.178 14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.136 -8.647 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.890 -6.999 13.322 1.00 0.00 H new ATOM 330 N ARG A 23 11.544 -7.894 5.330 1.00 0.00 N ATOM 331 CA ARG A 23 12.029 -7.608 3.986 1.00 0.00 C ATOM 332 C ARG A 23 10.879 -7.205 3.067 1.00 0.00 C ATOM 333 O ARG A 23 9.709 -7.378 3.409 1.00 0.00 O ATOM 334 CB ARG A 23 12.752 -8.827 3.411 1.00 0.00 C ATOM 335 CG ARG A 23 11.814 -9.889 2.862 1.00 0.00 C ATOM 336 CD ARG A 23 12.574 -10.970 2.110 1.00 0.00 C ATOM 337 NE ARG A 23 12.810 -10.603 0.716 1.00 0.00 N ATOM 338 CZ ARG A 23 13.616 -11.279 -0.095 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.260 -12.350 0.346 1.00 0.00 N ATOM 340 NH2 ARG A 23 13.779 -10.883 -1.351 1.00 0.00 N ATOM 0 H ARG A 23 10.560 -8.160 5.376 1.00 0.00 H new ATOM 0 HA ARG A 23 12.730 -6.775 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.422 -8.500 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.374 -9.270 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.254 -10.340 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.087 -9.424 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.529 -11.152 2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.012 -11.903 2.149 1.00 0.00 H new ATOM 0 HE ARG A 23 12.330 -9.783 0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.137 -12.657 1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.878 -12.867 -0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.285 -10.059 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.398 -11.403 -1.973 1.00 0.00 H new ATOM 354 N TRP A 24 11.220 -6.667 1.902 1.00 0.00 N ATOM 355 CA TRP A 24 10.216 -6.239 0.935 1.00 0.00 C ATOM 356 C TRP A 24 9.741 -7.414 0.087 1.00 0.00 C ATOM 357 O TRP A 24 10.543 -8.097 -0.551 1.00 0.00 O ATOM 358 CB TRP A 24 10.782 -5.140 0.034 1.00 0.00 C ATOM 359 CG TRP A 24 11.176 -3.903 0.782 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.413 -3.606 1.279 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.330 -2.799 1.120 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.387 -2.383 1.905 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.120 -1.867 1.821 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.982 -2.506 0.897 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.605 -0.666 2.300 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.472 -1.313 1.374 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.282 -0.405 2.068 1.00 0.00 C ATOM 0 H TRP A 24 12.184 -6.517 1.604 1.00 0.00 H new ATOM 0 HA TRP A 24 9.362 -5.844 1.486 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.652 -5.527 -0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.039 -4.879 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.284 -4.239 1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.182 -1.932 2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.350 -3.199 0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.228 0.035 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.431 -1.077 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.854 0.519 2.427 1.00 0.00 H new ATOM 378 N LYS A 25 8.433 -7.646 0.084 1.00 0.00 N ATOM 379 CA LYS A 25 7.850 -8.738 -0.687 1.00 0.00 C ATOM 380 C LYS A 25 6.744 -8.226 -1.604 1.00 0.00 C ATOM 381 O LYS A 25 5.827 -7.534 -1.162 1.00 0.00 O ATOM 382 CB LYS A 25 7.294 -9.811 0.251 1.00 0.00 C ATOM 383 CG LYS A 25 5.898 -9.506 0.766 1.00 0.00 C ATOM 384 CD LYS A 25 5.431 -10.551 1.765 1.00 0.00 C ATOM 385 CE LYS A 25 5.117 -11.873 1.083 1.00 0.00 C ATOM 386 NZ LYS A 25 4.855 -12.958 2.069 1.00 0.00 N ATOM 0 H LYS A 25 7.755 -7.092 0.608 1.00 0.00 H new ATOM 0 HA LYS A 25 8.636 -9.175 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.278 -10.767 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.968 -9.924 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.890 -8.523 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.201 -9.465 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.202 -10.704 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.544 -10.189 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.247 -11.751 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.951 -12.158 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.535 -13.732 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.959 -12.583 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.888 -13.318 1.940 1.00 0.00 H new ATOM 400 N LYS A 26 6.835 -8.573 -2.883 1.00 0.00 N ATOM 401 CA LYS A 26 5.840 -8.152 -3.863 1.00 0.00 C ATOM 402 C LYS A 26 4.458 -8.684 -3.498 1.00 0.00 C ATOM 403 O LYS A 26 4.259 -9.892 -3.380 1.00 0.00 O ATOM 404 CB LYS A 26 6.233 -8.639 -5.260 1.00 0.00 C ATOM 405 CG LYS A 26 5.768 -7.721 -6.377 1.00 0.00 C ATOM 406 CD LYS A 26 6.810 -6.663 -6.700 1.00 0.00 C ATOM 407 CE LYS A 26 6.753 -6.254 -8.164 1.00 0.00 C ATOM 408 NZ LYS A 26 5.825 -5.111 -8.385 1.00 0.00 N ATOM 0 H LYS A 26 7.588 -9.145 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 26 5.803 -7.063 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.317 -8.737 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.815 -9.633 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.558 -8.310 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.835 -7.238 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.649 -5.788 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.803 -7.046 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.752 -5.982 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.432 -7.104 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.220 -5.309 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.230 -4.979 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.375 -4.246 -8.560 1.00 0.00 H new ATOM 422 N ASN A 27 3.506 -7.773 -3.323 1.00 0.00 N ATOM 423 CA ASN A 27 2.142 -8.151 -2.972 1.00 0.00 C ATOM 424 C ASN A 27 1.141 -7.541 -3.949 1.00 0.00 C ATOM 425 O ASN A 27 1.515 -6.786 -4.847 1.00 0.00 O ATOM 426 CB ASN A 27 1.817 -7.703 -1.546 1.00 0.00 C ATOM 427 CG ASN A 27 2.577 -8.501 -0.503 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.225 -7.934 0.377 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.499 -9.823 -0.597 1.00 0.00 N ATOM 0 H ASN A 27 3.654 -6.768 -3.418 1.00 0.00 H new ATOM 0 HA ASN A 27 2.066 -9.237 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.057 -6.645 -1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.746 -7.807 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.988 -10.412 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.950 -10.250 -1.343 1.00 0.00 H new ATOM 436 N TRP A 28 -0.132 -7.872 -3.766 1.00 0.00 N ATOM 437 CA TRP A 28 -1.188 -7.357 -4.630 1.00 0.00 C ATOM 438 C TRP A 28 -2.188 -6.527 -3.833 1.00 0.00 C ATOM 439 O TRP A 28 -2.946 -7.060 -3.023 1.00 0.00 O ATOM 440 CB TRP A 28 -1.908 -8.509 -5.333 1.00 0.00 C ATOM 441 CG TRP A 28 -2.996 -8.053 -6.257 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.334 -8.295 -6.130 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.838 -7.278 -7.451 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.018 -7.718 -7.173 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.123 -7.087 -7.997 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.737 -6.726 -8.111 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.333 -6.369 -9.171 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.948 -6.013 -9.276 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.237 -5.839 -9.796 1.00 0.00 C ATOM 0 H TRP A 28 -0.458 -8.495 -3.027 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.727 -6.714 -5.380 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.181 -9.091 -5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.334 -9.174 -4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.788 -8.857 -5.328 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.028 -7.754 -7.311 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.739 -6.854 -7.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.326 -6.235 -9.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.104 -5.582 -9.795 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.368 -5.276 -10.708 1.00 0.00 H new ATOM 460 N PHE A 29 -2.184 -5.218 -4.067 1.00 0.00 N ATOM 461 CA PHE A 29 -3.091 -4.315 -3.369 1.00 0.00 C ATOM 462 C PHE A 29 -4.304 -3.985 -4.235 1.00 0.00 C ATOM 463 O PHE A 29 -4.249 -4.081 -5.461 1.00 0.00 O ATOM 464 CB PHE A 29 -2.363 -3.027 -2.980 1.00 0.00 C ATOM 465 CG PHE A 29 -1.417 -3.198 -1.826 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.215 -3.867 -1.992 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.730 -2.691 -0.575 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.658 -4.026 -0.932 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.861 -2.847 0.488 1.00 0.00 C ATOM 470 CZ PHE A 29 0.334 -3.516 0.310 1.00 0.00 C ATOM 0 H PHE A 29 -1.563 -4.760 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.437 -4.816 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.808 -2.658 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.100 -2.265 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.043 -4.269 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.664 -2.168 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.592 -4.548 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.116 -2.446 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.014 -3.640 1.140 1.00 0.00 H new ATOM 480 N ASP A 30 -5.397 -3.596 -3.589 1.00 0.00 N ATOM 481 CA ASP A 30 -6.623 -3.251 -4.299 1.00 0.00 C ATOM 482 C ASP A 30 -7.523 -2.374 -3.434 1.00 0.00 C ATOM 483 O ASP A 30 -8.054 -2.822 -2.417 1.00 0.00 O ATOM 484 CB ASP A 30 -7.371 -4.519 -4.713 1.00 0.00 C ATOM 485 CG ASP A 30 -6.624 -5.315 -5.764 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.730 -6.102 -5.389 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.933 -5.152 -6.963 1.00 0.00 O ATOM 0 H ASP A 30 -5.459 -3.512 -2.574 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.351 -2.690 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.533 -5.144 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.354 -4.248 -5.098 1.00 0.00 H new ATOM 492 N LEU A 31 -7.690 -1.121 -3.844 1.00 0.00 N ATOM 493 CA LEU A 31 -8.525 -0.179 -3.106 1.00 0.00 C ATOM 494 C LEU A 31 -9.981 -0.279 -3.550 1.00 0.00 C ATOM 495 O LEU A 31 -10.270 -0.396 -4.741 1.00 0.00 O ATOM 496 CB LEU A 31 -8.016 1.249 -3.306 1.00 0.00 C ATOM 497 CG LEU A 31 -8.567 2.299 -2.341 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.777 2.296 -1.041 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.538 3.680 -2.981 1.00 0.00 C ATOM 0 H LEU A 31 -7.258 -0.734 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.469 -0.433 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.929 1.241 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.254 1.559 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.603 2.047 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.183 3.050 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.849 1.314 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.731 2.522 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.934 4.414 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.511 3.940 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.148 3.675 -3.884 1.00 0.00 H new ATOM 511 N TRP A 32 -10.892 -0.231 -2.586 1.00 0.00 N ATOM 512 CA TRP A 32 -12.319 -0.314 -2.878 1.00 0.00 C ATOM 513 C TRP A 32 -12.915 1.075 -3.078 1.00 0.00 C ATOM 514 O TRP A 32 -12.251 2.085 -2.846 1.00 0.00 O ATOM 515 CB TRP A 32 -13.051 -1.038 -1.746 1.00 0.00 C ATOM 516 CG TRP A 32 -12.728 -2.499 -1.670 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.497 -3.075 -1.807 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.650 -3.570 -1.440 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.598 -4.439 -1.676 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.909 -4.768 -1.449 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.029 -3.634 -1.225 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.502 -6.012 -1.253 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.617 -4.869 -1.031 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.854 -6.045 -1.045 1.00 0.00 C ATOM 0 H TRP A 32 -10.669 -0.135 -1.595 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.443 -0.879 -3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.795 -0.567 -0.797 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.126 -0.917 -1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.579 -2.537 -1.991 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.823 -5.099 -1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.625 -2.734 -1.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.916 -6.919 -1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.683 -4.930 -0.866 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.343 -6.995 -0.889 1.00 0.00 H new ATOM 535 N SER A 33 -14.171 1.118 -3.511 1.00 0.00 N ATOM 536 CA SER A 33 -14.855 2.384 -3.746 1.00 0.00 C ATOM 537 C SER A 33 -15.214 3.061 -2.427 1.00 0.00 C ATOM 538 O SER A 33 -15.306 4.287 -2.350 1.00 0.00 O ATOM 539 CB SER A 33 -16.120 2.158 -4.577 1.00 0.00 C ATOM 540 OG SER A 33 -16.507 3.344 -5.250 1.00 0.00 O ATOM 0 H SER A 33 -14.735 0.291 -3.706 1.00 0.00 H new ATOM 0 HA SER A 33 -14.178 3.037 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.945 1.365 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.930 1.823 -3.929 1.00 0.00 H new ATOM 0 HG SER A 33 -17.317 3.173 -5.775 1.00 0.00 H new ATOM 546 N ASP A 34 -15.416 2.254 -1.391 1.00 0.00 N ATOM 547 CA ASP A 34 -15.765 2.774 -0.074 1.00 0.00 C ATOM 548 C ASP A 34 -14.512 3.164 0.705 1.00 0.00 C ATOM 549 O ASP A 34 -14.587 3.530 1.877 1.00 0.00 O ATOM 550 CB ASP A 34 -16.566 1.735 0.712 1.00 0.00 C ATOM 551 CG ASP A 34 -17.961 1.535 0.153 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.114 0.724 -0.785 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.899 2.188 0.654 1.00 0.00 O ATOM 0 H ASP A 34 -15.344 1.238 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.378 3.665 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.033 0.784 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.637 2.047 1.754 1.00 0.00 H new ATOM 558 N GLY A 35 -13.361 3.081 0.044 1.00 0.00 N ATOM 559 CA GLY A 35 -12.109 3.428 0.691 1.00 0.00 C ATOM 560 C GLY A 35 -11.369 2.211 1.211 1.00 0.00 C ATOM 561 O GLY A 35 -10.140 2.154 1.159 1.00 0.00 O ATOM 0 H GLY A 35 -13.273 2.780 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.474 3.961 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.308 4.110 1.518 1.00 0.00 H new ATOM 565 N HIS A 36 -12.118 1.236 1.715 1.00 0.00 N ATOM 566 CA HIS A 36 -11.525 0.014 2.248 1.00 0.00 C ATOM 567 C HIS A 36 -10.421 -0.500 1.329 1.00 0.00 C ATOM 568 O HIS A 36 -10.568 -0.502 0.106 1.00 0.00 O ATOM 569 CB HIS A 36 -12.596 -1.061 2.429 1.00 0.00 C ATOM 570 CG HIS A 36 -13.286 -1.002 3.757 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.486 -0.350 3.954 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.940 -1.520 4.959 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.846 -0.469 5.219 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.925 -1.174 5.850 1.00 0.00 N ATOM 0 H HIS A 36 -13.136 1.268 1.766 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.087 0.246 3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.339 -0.959 1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.137 -2.043 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.054 -2.098 5.176 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.742 -0.059 5.662 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.943 -1.421 6.839 1.00 0.00 H new ATOM 583 N LEU A 37 -9.316 -0.934 1.925 1.00 0.00 N ATOM 584 CA LEU A 37 -8.186 -1.450 1.160 1.00 0.00 C ATOM 585 C LEU A 37 -7.875 -2.891 1.553 1.00 0.00 C ATOM 586 O LEU A 37 -7.762 -3.211 2.737 1.00 0.00 O ATOM 587 CB LEU A 37 -6.953 -0.572 1.380 1.00 0.00 C ATOM 588 CG LEU A 37 -5.663 -1.048 0.711 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.756 -0.895 -0.799 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.466 -0.281 1.254 1.00 0.00 C ATOM 0 H LEU A 37 -9.178 -0.939 2.936 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.455 -1.431 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.177 0.432 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.775 -0.493 2.452 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.527 -2.105 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.829 -1.239 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.589 -1.490 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.917 0.154 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.557 -0.633 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.595 0.783 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.387 -0.443 2.329 1.00 0.00 H new ATOM 602 N ILE A 38 -7.737 -3.755 0.553 1.00 0.00 N ATOM 603 CA ILE A 38 -7.436 -5.160 0.795 1.00 0.00 C ATOM 604 C ILE A 38 -6.372 -5.669 -0.173 1.00 0.00 C ATOM 605 O ILE A 38 -6.451 -5.432 -1.378 1.00 0.00 O ATOM 606 CB ILE A 38 -8.695 -6.037 0.662 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.827 -5.476 1.526 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.384 -7.474 1.054 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.175 -6.098 1.234 1.00 0.00 C ATOM 0 H ILE A 38 -7.829 -3.507 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.060 -5.230 1.816 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.018 -6.027 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.583 -5.633 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.892 -4.399 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.284 -8.081 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.606 -7.869 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.039 -7.503 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.929 -5.653 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.441 -5.918 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.127 -7.172 1.416 1.00 0.00 H new ATOM 621 N TYR A 39 -5.379 -6.369 0.364 1.00 0.00 N ATOM 622 CA TYR A 39 -4.298 -6.910 -0.452 1.00 0.00 C ATOM 623 C TYR A 39 -4.253 -8.432 -0.354 1.00 0.00 C ATOM 624 O TYR A 39 -4.615 -9.011 0.670 1.00 0.00 O ATOM 625 CB TYR A 39 -2.957 -6.320 -0.015 1.00 0.00 C ATOM 626 CG TYR A 39 -2.902 -5.958 1.452 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.656 -4.906 1.957 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.099 -6.671 2.334 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.609 -4.572 3.296 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.046 -6.345 3.675 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.803 -5.294 4.151 1.00 0.00 C ATOM 632 OH TYR A 39 -2.754 -4.966 5.487 1.00 0.00 O ATOM 0 H TYR A 39 -5.300 -6.575 1.360 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.487 -6.635 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.166 -7.038 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.751 -5.429 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.290 -4.340 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.506 -7.494 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.200 -3.750 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.416 -6.909 4.347 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.140 -5.573 5.950 1.00 0.00 H new ATOM 642 N TYR A 40 -3.804 -9.074 -1.427 1.00 0.00 N ATOM 643 CA TYR A 40 -3.712 -10.529 -1.465 1.00 0.00 C ATOM 644 C TYR A 40 -2.256 -10.980 -1.545 1.00 0.00 C ATOM 645 O TYR A 40 -1.340 -10.159 -1.559 1.00 0.00 O ATOM 646 CB TYR A 40 -4.494 -11.079 -2.658 1.00 0.00 C ATOM 647 CG TYR A 40 -5.968 -10.742 -2.623 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.419 -9.473 -2.964 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.910 -11.694 -2.250 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.764 -9.161 -2.932 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.257 -11.391 -2.218 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.679 -10.123 -2.559 1.00 0.00 C ATOM 653 OH TYR A 40 -10.020 -9.816 -2.528 1.00 0.00 O ATOM 0 H TYR A 40 -3.498 -8.610 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.145 -10.920 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.062 -10.685 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.378 -12.162 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.706 -8.718 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.583 -12.687 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.097 -8.169 -3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.976 -12.143 -1.928 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.530 -10.604 -2.246 1.00 0.00 H new ATOM 663 N ASP A 41 -2.053 -12.292 -1.597 1.00 0.00 N ATOM 664 CA ASP A 41 -0.711 -12.855 -1.678 1.00 0.00 C ATOM 665 C ASP A 41 -0.184 -12.804 -3.109 1.00 0.00 C ATOM 666 O ASP A 41 1.007 -12.592 -3.335 1.00 0.00 O ATOM 667 CB ASP A 41 -0.709 -14.299 -1.172 1.00 0.00 C ATOM 668 CG ASP A 41 -0.697 -14.382 0.342 1.00 0.00 C ATOM 669 OD1 ASP A 41 -1.326 -13.518 0.988 1.00 0.00 O ATOM 670 OD2 ASP A 41 -0.060 -15.311 0.879 1.00 0.00 O ATOM 0 H ASP A 41 -2.801 -12.985 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.055 -12.256 -1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.589 -14.816 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.163 -14.819 -1.568 1.00 0.00 H new ATOM 675 N ASP A 42 -1.080 -13.000 -4.070 1.00 0.00 N ATOM 676 CA ASP A 42 -0.706 -12.976 -5.480 1.00 0.00 C ATOM 677 C ASP A 42 -1.916 -12.672 -6.357 1.00 0.00 C ATOM 678 O ASP A 42 -3.026 -12.488 -5.858 1.00 0.00 O ATOM 679 CB ASP A 42 -0.087 -14.313 -5.888 1.00 0.00 C ATOM 680 CG ASP A 42 0.642 -14.987 -4.743 1.00 0.00 C ATOM 681 OD1 ASP A 42 1.789 -14.586 -4.451 1.00 0.00 O ATOM 682 OD2 ASP A 42 0.067 -15.916 -4.138 1.00 0.00 O ATOM 0 H ASP A 42 -2.070 -13.177 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 42 0.031 -12.186 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.870 -14.975 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.608 -14.152 -6.712 1.00 0.00 H new ATOM 687 N GLN A 43 -1.693 -12.620 -7.667 1.00 0.00 N ATOM 688 CA GLN A 43 -2.765 -12.336 -8.613 1.00 0.00 C ATOM 689 C GLN A 43 -3.916 -13.322 -8.443 1.00 0.00 C ATOM 690 O GLN A 43 -5.048 -13.047 -8.843 1.00 0.00 O ATOM 691 CB GLN A 43 -2.236 -12.394 -10.048 1.00 0.00 C ATOM 692 CG GLN A 43 -1.765 -13.777 -10.467 1.00 0.00 C ATOM 693 CD GLN A 43 -0.411 -14.134 -9.886 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.347 -13.259 -9.468 1.00 0.00 O ATOM 695 NE2 GLN A 43 -0.100 -15.424 -9.858 1.00 0.00 N ATOM 0 H GLN A 43 -0.780 -12.771 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.138 -11.332 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.021 -12.065 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.409 -11.691 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.499 -14.518 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.713 -13.825 -11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.759 -16.115 -10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.798 -15.724 -9.479 1.00 0.00 H new ATOM 704 N THR A 44 -3.620 -14.473 -7.847 1.00 0.00 N ATOM 705 CA THR A 44 -4.630 -15.500 -7.625 1.00 0.00 C ATOM 706 C THR A 44 -5.754 -14.984 -6.734 1.00 0.00 C ATOM 707 O THR A 44 -6.904 -15.403 -6.864 1.00 0.00 O ATOM 708 CB THR A 44 -4.018 -16.759 -6.982 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.200 -16.391 -5.866 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.187 -17.534 -7.993 1.00 0.00 C ATOM 0 H THR A 44 -2.689 -14.717 -7.509 1.00 0.00 H new ATOM 0 HA THR A 44 -5.036 -15.760 -8.603 1.00 0.00 H new ATOM 0 HB THR A 44 -4.832 -17.397 -6.640 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.816 -17.197 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.765 -18.419 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.819 -17.838 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.380 -16.901 -8.362 1.00 0.00 H new ATOM 718 N ARG A 45 -5.414 -14.070 -5.830 1.00 0.00 N ATOM 719 CA ARG A 45 -6.395 -13.496 -4.918 1.00 0.00 C ATOM 720 C ARG A 45 -7.082 -14.588 -4.102 1.00 0.00 C ATOM 721 O ARG A 45 -8.285 -14.522 -3.849 1.00 0.00 O ATOM 722 CB ARG A 45 -7.439 -12.694 -5.696 1.00 0.00 C ATOM 723 CG ARG A 45 -7.069 -11.231 -5.881 1.00 0.00 C ATOM 724 CD ARG A 45 -8.276 -10.398 -6.285 1.00 0.00 C ATOM 725 NE ARG A 45 -8.436 -10.335 -7.735 1.00 0.00 N ATOM 726 CZ ARG A 45 -9.509 -9.830 -8.334 1.00 0.00 C ATOM 727 NH1 ARG A 45 -10.510 -9.347 -7.612 1.00 0.00 N ATOM 728 NH2 ARG A 45 -9.581 -9.807 -9.659 1.00 0.00 N ATOM 0 H ARG A 45 -4.467 -13.712 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.871 -12.829 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.580 -13.151 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.394 -12.755 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.650 -10.840 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.294 -11.144 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.175 -10.823 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.169 -9.389 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.683 -10.698 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.458 -9.362 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.332 -8.960 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.812 -10.177 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.405 -9.419 -10.118 1.00 0.00 H new ATOM 742 N GLN A 46 -6.310 -15.590 -3.694 1.00 0.00 N ATOM 743 CA GLN A 46 -6.844 -16.695 -2.908 1.00 0.00 C ATOM 744 C GLN A 46 -6.453 -16.559 -1.441 1.00 0.00 C ATOM 745 O GLN A 46 -7.251 -16.840 -0.547 1.00 0.00 O ATOM 746 CB GLN A 46 -6.343 -18.031 -3.460 1.00 0.00 C ATOM 747 CG GLN A 46 -6.923 -18.383 -4.821 1.00 0.00 C ATOM 748 CD GLN A 46 -8.350 -18.888 -4.733 1.00 0.00 C ATOM 749 OE1 GLN A 46 -8.848 -19.190 -3.649 1.00 0.00 O ATOM 750 NE2 GLN A 46 -9.016 -18.981 -5.878 1.00 0.00 N ATOM 0 H GLN A 46 -5.312 -15.659 -3.895 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.931 -16.665 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.256 -17.999 -3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.591 -18.823 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.892 -17.503 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.300 -19.144 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.563 -18.720 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.980 -19.314 -5.882 1.00 0.00 H new ATOM 759 N SER A 47 -5.220 -16.127 -1.200 1.00 0.00 N ATOM 760 CA SER A 47 -4.721 -15.957 0.160 1.00 0.00 C ATOM 761 C SER A 47 -4.842 -14.503 0.606 1.00 0.00 C ATOM 762 O SER A 47 -3.876 -13.741 0.543 1.00 0.00 O ATOM 763 CB SER A 47 -3.262 -16.411 0.251 1.00 0.00 C ATOM 764 OG SER A 47 -3.176 -17.786 0.582 1.00 0.00 O ATOM 0 H SER A 47 -4.547 -15.888 -1.929 1.00 0.00 H new ATOM 0 HA SER A 47 -5.328 -16.573 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.762 -16.231 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.740 -15.819 1.003 1.00 0.00 H new ATOM 0 HG SER A 47 -2.234 -18.052 0.632 1.00 0.00 H new ATOM 770 N ILE A 48 -6.034 -14.126 1.055 1.00 0.00 N ATOM 771 CA ILE A 48 -6.282 -12.765 1.513 1.00 0.00 C ATOM 772 C ILE A 48 -5.302 -12.367 2.612 1.00 0.00 C ATOM 773 O ILE A 48 -5.523 -12.656 3.787 1.00 0.00 O ATOM 774 CB ILE A 48 -7.720 -12.600 2.039 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.728 -12.851 0.916 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.912 -11.212 2.631 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.124 -13.157 1.414 1.00 0.00 C ATOM 0 H ILE A 48 -6.843 -14.744 1.111 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.142 -12.113 0.651 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.890 -13.335 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.766 -11.974 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.379 -13.683 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.933 -11.111 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.214 -11.068 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.727 -10.460 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.785 -13.324 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.100 -14.052 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.493 -12.316 2.001 1.00 0.00 H new ATOM 789 N GLU A 49 -4.220 -11.701 2.220 1.00 0.00 N ATOM 790 CA GLU A 49 -3.207 -11.262 3.173 1.00 0.00 C ATOM 791 C GLU A 49 -3.853 -10.611 4.393 1.00 0.00 C ATOM 792 O GLU A 49 -3.778 -11.136 5.504 1.00 0.00 O ATOM 793 CB GLU A 49 -2.241 -10.280 2.508 1.00 0.00 C ATOM 794 CG GLU A 49 -1.049 -10.952 1.847 1.00 0.00 C ATOM 795 CD GLU A 49 0.188 -10.076 1.846 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.166 -9.020 1.179 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.178 -10.446 2.511 1.00 0.00 O ATOM 0 H GLU A 49 -4.023 -11.454 1.250 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.651 -12.139 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.782 -9.701 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.881 -9.575 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.829 -11.885 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.306 -11.212 0.820 1.00 0.00 H new ATOM 804 N ASP A 50 -4.487 -9.463 4.176 1.00 0.00 N ATOM 805 CA ASP A 50 -5.147 -8.739 5.257 1.00 0.00 C ATOM 806 C ASP A 50 -6.065 -7.654 4.702 1.00 0.00 C ATOM 807 O ASP A 50 -6.139 -7.447 3.491 1.00 0.00 O ATOM 808 CB ASP A 50 -4.109 -8.118 6.192 1.00 0.00 C ATOM 809 CG ASP A 50 -4.674 -7.816 7.566 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.471 -8.633 8.073 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.318 -6.763 8.135 1.00 0.00 O ATOM 0 H ASP A 50 -4.558 -9.014 3.263 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.752 -9.449 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.262 -8.797 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.729 -7.198 5.748 1.00 0.00 H new ATOM 816 N LYS A 51 -6.763 -6.963 5.597 1.00 0.00 N ATOM 817 CA LYS A 51 -7.676 -5.898 5.198 1.00 0.00 C ATOM 818 C LYS A 51 -7.577 -4.712 6.152 1.00 0.00 C ATOM 819 O LYS A 51 -7.599 -4.879 7.371 1.00 0.00 O ATOM 820 CB LYS A 51 -9.115 -6.419 5.163 1.00 0.00 C ATOM 821 CG LYS A 51 -10.161 -5.322 5.260 1.00 0.00 C ATOM 822 CD LYS A 51 -11.519 -5.802 4.777 1.00 0.00 C ATOM 823 CE LYS A 51 -12.136 -6.797 5.748 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.739 -6.119 6.929 1.00 0.00 N ATOM 0 H LYS A 51 -6.714 -7.121 6.603 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.392 -5.564 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.269 -6.975 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.259 -7.120 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.240 -4.984 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.845 -4.464 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.186 -4.948 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.414 -6.266 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.901 -7.379 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.372 -7.499 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.149 -6.831 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.005 -5.584 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.485 -5.468 6.612 1.00 0.00 H new ATOM 838 N VAL A 52 -7.469 -3.513 5.588 1.00 0.00 N ATOM 839 CA VAL A 52 -7.369 -2.298 6.388 1.00 0.00 C ATOM 840 C VAL A 52 -8.034 -1.120 5.684 1.00 0.00 C ATOM 841 O VAL A 52 -8.049 -1.046 4.455 1.00 0.00 O ATOM 842 CB VAL A 52 -5.900 -1.941 6.686 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.784 -0.494 7.141 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.324 -2.885 7.730 1.00 0.00 C ATOM 0 H VAL A 52 -7.449 -3.357 4.580 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.885 -2.495 7.328 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.323 -2.055 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.740 -0.260 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.156 0.165 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.374 -0.349 8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.286 -2.618 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.901 -2.805 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.371 -3.909 7.360 1.00 0.00 H new ATOM 854 N HIS A 53 -8.582 -0.200 6.471 1.00 0.00 N ATOM 855 CA HIS A 53 -9.249 0.976 5.924 1.00 0.00 C ATOM 856 C HIS A 53 -8.272 2.141 5.791 1.00 0.00 C ATOM 857 O HIS A 53 -7.172 2.107 6.341 1.00 0.00 O ATOM 858 CB HIS A 53 -10.426 1.381 6.811 1.00 0.00 C ATOM 859 CG HIS A 53 -11.586 1.943 6.049 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.784 2.280 6.641 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.725 2.229 4.733 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.611 2.747 5.723 1.00 0.00 C ATOM 863 NE2 HIS A 53 -12.992 2.727 4.556 1.00 0.00 N ATOM 0 H HIS A 53 -8.577 -0.246 7.490 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.623 0.722 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.761 0.511 7.376 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.086 2.120 7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.978 2.091 3.965 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.621 3.087 5.897 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.391 3.032 3.668 1.00 0.00 H new ATOM 872 N MET A 54 -8.682 3.169 5.055 1.00 0.00 N ATOM 873 CA MET A 54 -7.843 4.344 4.851 1.00 0.00 C ATOM 874 C MET A 54 -8.286 5.492 5.752 1.00 0.00 C ATOM 875 O MET A 54 -7.598 5.868 6.702 1.00 0.00 O ATOM 876 CB MET A 54 -7.892 4.783 3.386 1.00 0.00 C ATOM 877 CG MET A 54 -6.748 4.233 2.548 1.00 0.00 C ATOM 878 SD MET A 54 -5.130 4.712 3.183 1.00 0.00 S ATOM 879 CE MET A 54 -5.265 6.497 3.142 1.00 0.00 C ATOM 0 H MET A 54 -9.589 3.212 4.591 1.00 0.00 H new ATOM 0 HA MET A 54 -6.818 4.077 5.110 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.838 4.461 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.874 5.872 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.815 3.145 2.518 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.851 4.587 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.293 6.930 2.908 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.986 6.790 2.379 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.599 6.859 4.114 1.00 0.00 H new ATOM 889 N PRO A 55 -9.462 6.063 5.451 1.00 0.00 N ATOM 890 CA PRO A 55 -10.022 7.176 6.223 1.00 0.00 C ATOM 891 C PRO A 55 -10.476 6.746 7.614 1.00 0.00 C ATOM 892 O PRO A 55 -11.024 7.545 8.373 1.00 0.00 O ATOM 893 CB PRO A 55 -11.221 7.622 5.383 1.00 0.00 C ATOM 894 CG PRO A 55 -11.611 6.412 4.607 1.00 0.00 C ATOM 895 CD PRO A 55 -10.335 5.666 4.334 1.00 0.00 C ATOM 0 HA PRO A 55 -9.288 7.963 6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.039 7.968 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.956 8.448 4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.310 5.795 5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.108 6.688 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.496 4.588 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.906 5.943 3.371 1.00 0.00 H new ATOM 903 N VAL A 56 -10.243 5.480 7.942 1.00 0.00 N ATOM 904 CA VAL A 56 -10.627 4.944 9.243 1.00 0.00 C ATOM 905 C VAL A 56 -9.420 4.379 9.982 1.00 0.00 C ATOM 906 O VAL A 56 -9.183 4.705 11.146 1.00 0.00 O ATOM 907 CB VAL A 56 -11.692 3.840 9.103 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.615 2.873 10.274 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.081 4.452 8.996 1.00 0.00 C ATOM 0 H VAL A 56 -9.790 4.806 7.325 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.045 5.772 9.815 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.494 3.281 8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.375 2.100 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.628 2.411 10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.787 3.414 11.205 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.822 3.658 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.291 5.036 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.126 5.101 8.121 1.00 0.00 H new ATOM 919 N ASP A 57 -8.658 3.531 9.300 1.00 0.00 N ATOM 920 CA ASP A 57 -7.473 2.921 9.891 1.00 0.00 C ATOM 921 C ASP A 57 -6.259 3.833 9.739 1.00 0.00 C ATOM 922 O ASP A 57 -5.502 4.039 10.688 1.00 0.00 O ATOM 923 CB ASP A 57 -7.193 1.565 9.242 1.00 0.00 C ATOM 924 CG ASP A 57 -6.540 0.588 10.200 1.00 0.00 C ATOM 925 OD1 ASP A 57 -5.403 0.859 10.639 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.166 -0.447 10.510 1.00 0.00 O ATOM 0 H ASP A 57 -8.840 3.250 8.336 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.663 2.773 10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.128 1.141 8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.547 1.707 8.376 1.00 0.00 H new ATOM 931 N CYS A 58 -6.080 4.374 8.539 1.00 0.00 N ATOM 932 CA CYS A 58 -4.956 5.261 8.261 1.00 0.00 C ATOM 933 C CYS A 58 -5.296 6.701 8.633 1.00 0.00 C ATOM 934 O CYS A 58 -6.363 7.207 8.285 1.00 0.00 O ATOM 935 CB CYS A 58 -4.570 5.182 6.783 1.00 0.00 C ATOM 936 SG CYS A 58 -3.359 6.423 6.269 1.00 0.00 S ATOM 0 H CYS A 58 -6.698 4.214 7.744 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.110 4.937 8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.168 4.190 6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.469 5.294 6.177 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.431 6.525 7.174 1.00 0.00 H new ATOM 942 N ILE A 59 -4.383 7.354 9.345 1.00 0.00 N ATOM 943 CA ILE A 59 -4.587 8.735 9.765 1.00 0.00 C ATOM 944 C ILE A 59 -3.649 9.679 9.021 1.00 0.00 C ATOM 945 O ILE A 59 -4.008 10.817 8.720 1.00 0.00 O ATOM 946 CB ILE A 59 -4.367 8.900 11.280 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.000 8.345 11.683 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.477 8.204 12.055 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.593 8.706 13.095 1.00 0.00 C ATOM 0 H ILE A 59 -3.495 6.949 9.643 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.620 8.989 9.526 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.392 9.962 11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.014 7.260 11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.247 8.719 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.308 8.329 13.124 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.438 8.642 11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.481 7.142 11.810 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.614 8.279 13.312 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.546 9.790 13.194 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.326 8.309 13.798 1.00 0.00 H new ATOM 961 N ASN A 60 -2.446 9.199 8.725 1.00 0.00 N ATOM 962 CA ASN A 60 -1.456 10.000 8.014 1.00 0.00 C ATOM 963 C ASN A 60 -0.792 9.188 6.907 1.00 0.00 C ATOM 964 O ASN A 60 -0.744 7.959 6.968 1.00 0.00 O ATOM 965 CB ASN A 60 -0.396 10.520 8.987 1.00 0.00 C ATOM 966 CG ASN A 60 0.420 11.655 8.400 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.034 12.798 8.346 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.633 11.344 7.957 1.00 0.00 N ATOM 0 H ASN A 60 -2.133 8.259 8.966 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.969 10.847 7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.882 10.860 9.901 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.270 9.703 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.229 12.066 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.969 10.383 8.022 1.00 0.00 H new ATOM 975 N ILE A 61 -0.280 9.883 5.896 1.00 0.00 N ATOM 976 CA ILE A 61 0.383 9.226 4.776 1.00 0.00 C ATOM 977 C ILE A 61 1.744 9.854 4.499 1.00 0.00 C ATOM 978 O ILE A 61 1.834 11.015 4.101 1.00 0.00 O ATOM 979 CB ILE A 61 -0.472 9.295 3.497 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.838 8.647 3.734 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.248 8.616 2.342 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.909 9.128 2.781 1.00 0.00 C ATOM 0 H ILE A 61 -0.312 10.900 5.830 1.00 0.00 H new ATOM 0 HA ILE A 61 0.518 8.181 5.057 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.628 10.342 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.739 7.566 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.155 8.851 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.369 8.673 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.199 9.117 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.431 7.571 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.850 8.626 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.036 10.205 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.614 8.900 1.757 1.00 0.00 H new ATOM 994 N ARG A 62 2.802 9.077 4.710 1.00 0.00 N ATOM 995 CA ARG A 62 4.160 9.557 4.482 1.00 0.00 C ATOM 996 C ARG A 62 4.785 8.864 3.274 1.00 0.00 C ATOM 997 O ARG A 62 4.498 7.700 2.994 1.00 0.00 O ATOM 998 CB ARG A 62 5.022 9.319 5.723 1.00 0.00 C ATOM 999 CG ARG A 62 4.415 9.872 7.001 1.00 0.00 C ATOM 1000 CD ARG A 62 5.165 9.385 8.231 1.00 0.00 C ATOM 1001 NE ARG A 62 4.627 9.955 9.463 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.215 9.834 10.648 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.355 9.166 10.760 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.663 10.381 11.723 1.00 0.00 N ATOM 0 H ARG A 62 2.745 8.113 5.038 1.00 0.00 H new ATOM 0 HA ARG A 62 4.112 10.627 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.185 8.248 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.000 9.775 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.432 10.961 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.370 9.571 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.111 8.298 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.219 9.648 8.140 1.00 0.00 H new ATOM 0 HE ARG A 62 3.751 10.475 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.782 8.744 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.805 9.074 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.786 10.895 11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.116 10.287 12.632 1.00 0.00 H new ATOM 1018 N THR A 63 5.643 9.589 2.562 1.00 0.00 N ATOM 1019 CA THR A 63 6.307 9.046 1.384 1.00 0.00 C ATOM 1020 C THR A 63 7.760 9.504 1.312 1.00 0.00 C ATOM 1021 O THR A 63 8.054 10.690 1.455 1.00 0.00 O ATOM 1022 CB THR A 63 5.585 9.462 0.089 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.475 10.888 0.026 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.199 8.838 0.018 1.00 0.00 C ATOM 0 H THR A 63 5.894 10.553 2.781 1.00 0.00 H new ATOM 0 HA THR A 63 6.275 7.960 1.476 1.00 0.00 H new ATOM 0 HB THR A 63 6.171 9.105 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.254 11.296 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.708 9.146 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.288 7.752 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.607 9.169 0.871 1.00 0.00 H new ATOM 1032 N GLY A 64 8.664 8.556 1.088 1.00 0.00 N ATOM 1033 CA GLY A 64 10.076 8.883 1.001 1.00 0.00 C ATOM 1034 C GLY A 64 10.725 9.019 2.364 1.00 0.00 C ATOM 1035 O GLY A 64 10.428 8.252 3.280 1.00 0.00 O ATOM 0 H GLY A 64 8.445 7.567 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.591 8.108 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.196 9.816 0.450 1.00 0.00 H new ATOM 1039 N HIS A 65 11.615 9.997 2.498 1.00 0.00 N ATOM 1040 CA HIS A 65 12.310 10.230 3.759 1.00 0.00 C ATOM 1041 C HIS A 65 11.318 10.537 4.877 1.00 0.00 C ATOM 1042 O HIS A 65 11.600 10.300 6.051 1.00 0.00 O ATOM 1043 CB HIS A 65 13.303 11.383 3.613 1.00 0.00 C ATOM 1044 CG HIS A 65 14.334 11.155 2.551 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.141 11.497 1.229 1.00 0.00 N ATOM 1046 CD2 HIS A 65 15.574 10.616 2.622 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.217 11.177 0.532 1.00 0.00 C ATOM 1048 NE2 HIS A 65 16.102 10.641 1.354 1.00 0.00 N ATOM 0 H HIS A 65 11.872 10.641 1.749 1.00 0.00 H new ATOM 0 HA HIS A 65 12.854 9.322 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.755 12.297 3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.805 11.542 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 65 16.058 10.237 3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.350 11.328 -0.529 1.00 0.00 H new ATOM 0 HE2 HIS A 65 17.027 10.301 1.090 1.00 0.00 H new ATOM 1057 N GLU A 66 10.156 11.065 4.503 1.00 0.00 N ATOM 1058 CA GLU A 66 9.124 11.404 5.475 1.00 0.00 C ATOM 1059 C GLU A 66 8.702 10.174 6.273 1.00 0.00 C ATOM 1060 O GLU A 66 8.484 10.250 7.483 1.00 0.00 O ATOM 1061 CB GLU A 66 7.909 12.011 4.770 1.00 0.00 C ATOM 1062 CG GLU A 66 8.194 13.347 4.106 1.00 0.00 C ATOM 1063 CD GLU A 66 8.977 14.288 5.001 1.00 0.00 C ATOM 1064 OE1 GLU A 66 8.421 14.729 6.029 1.00 0.00 O ATOM 1065 OE2 GLU A 66 10.145 14.584 4.674 1.00 0.00 O ATOM 0 H GLU A 66 9.907 11.267 3.535 1.00 0.00 H new ATOM 0 HA GLU A 66 9.538 12.138 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.549 11.310 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.106 12.140 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.752 13.179 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.252 13.818 3.826 1.00 0.00 H new ATOM 1072 N CYS A 67 8.587 9.042 5.587 1.00 0.00 N ATOM 1073 CA CYS A 67 8.190 7.795 6.230 1.00 0.00 C ATOM 1074 C CYS A 67 9.124 7.458 7.387 1.00 0.00 C ATOM 1075 O CYS A 67 10.105 8.162 7.632 1.00 0.00 O ATOM 1076 CB CYS A 67 8.184 6.652 5.214 1.00 0.00 C ATOM 1077 SG CYS A 67 7.488 7.098 3.606 1.00 0.00 S ATOM 0 H CYS A 67 8.763 8.962 4.585 1.00 0.00 H new ATOM 0 HA CYS A 67 7.183 7.924 6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.206 6.302 5.071 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.616 5.818 5.625 1.00 0.00 H new ATOM 0 HG CYS A 67 7.528 6.067 2.815 1.00 0.00 H new ATOM 1083 N ARG A 68 8.813 6.379 8.097 1.00 0.00 N ATOM 1084 CA ARG A 68 9.624 5.950 9.231 1.00 0.00 C ATOM 1085 C ARG A 68 11.096 5.856 8.842 1.00 0.00 C ATOM 1086 O ARG A 68 11.475 6.195 7.721 1.00 0.00 O ATOM 1087 CB ARG A 68 9.135 4.597 9.752 1.00 0.00 C ATOM 1088 CG ARG A 68 9.343 4.409 11.246 1.00 0.00 C ATOM 1089 CD ARG A 68 8.265 3.522 11.850 1.00 0.00 C ATOM 1090 NE ARG A 68 8.240 3.609 13.308 1.00 0.00 N ATOM 1091 CZ ARG A 68 7.549 2.779 14.081 1.00 0.00 C ATOM 1092 NH1 ARG A 68 6.831 1.805 13.539 1.00 0.00 N ATOM 1093 NH2 ARG A 68 7.576 2.922 15.400 1.00 0.00 N ATOM 0 H ARG A 68 8.005 5.785 7.908 1.00 0.00 H new ATOM 0 HA ARG A 68 9.522 6.694 10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.074 4.492 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.656 3.802 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.323 3.967 11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.336 5.380 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.292 3.812 11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.437 2.488 11.551 1.00 0.00 H new ATOM 0 HE ARG A 68 8.783 4.347 13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.808 1.691 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.301 1.169 14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.128 3.670 15.821 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.045 2.284 15.993 1.00 0.00 H new ATOM 1107 N ASP A 69 11.921 5.394 9.775 1.00 0.00 N ATOM 1108 CA ASP A 69 13.352 5.255 9.530 1.00 0.00 C ATOM 1109 C ASP A 69 13.648 3.974 8.758 1.00 0.00 C ATOM 1110 O ASP A 69 14.635 3.288 9.029 1.00 0.00 O ATOM 1111 CB ASP A 69 14.120 5.258 10.853 1.00 0.00 C ATOM 1112 CG ASP A 69 15.529 5.797 10.703 1.00 0.00 C ATOM 1113 OD1 ASP A 69 16.268 5.290 9.834 1.00 0.00 O ATOM 1114 OD2 ASP A 69 15.893 6.725 11.456 1.00 0.00 O ATOM 0 H ASP A 69 11.623 5.109 10.708 1.00 0.00 H new ATOM 0 HA ASP A 69 13.678 6.104 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.579 5.861 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.163 4.243 11.247 1.00 0.00 H new ATOM 1119 N ILE A 70 12.788 3.656 7.796 1.00 0.00 N ATOM 1120 CA ILE A 70 12.959 2.457 6.985 1.00 0.00 C ATOM 1121 C ILE A 70 13.921 2.707 5.830 1.00 0.00 C ATOM 1122 O ILE A 70 14.518 3.779 5.728 1.00 0.00 O ATOM 1123 CB ILE A 70 11.614 1.963 6.420 1.00 0.00 C ATOM 1124 CG1 ILE A 70 11.274 2.709 5.128 1.00 0.00 C ATOM 1125 CG2 ILE A 70 10.508 2.145 7.450 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.867 2.452 4.634 1.00 0.00 C ATOM 0 H ILE A 70 11.966 4.212 7.559 1.00 0.00 H new ATOM 0 HA ILE A 70 13.373 1.690 7.640 1.00 0.00 H new ATOM 0 HB ILE A 70 11.700 0.901 6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.403 3.779 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.982 2.417 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.564 1.791 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.748 1.573 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.419 3.201 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.696 3.013 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.739 1.387 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.151 2.771 5.392 1.00 0.00 H new ATOM 1138 N GLN A 71 14.065 1.712 4.960 1.00 0.00 N ATOM 1139 CA GLN A 71 14.955 1.826 3.811 1.00 0.00 C ATOM 1140 C GLN A 71 14.386 1.082 2.607 1.00 0.00 C ATOM 1141 O GLN A 71 13.800 0.007 2.730 1.00 0.00 O ATOM 1142 CB GLN A 71 16.341 1.277 4.155 1.00 0.00 C ATOM 1143 CG GLN A 71 16.380 -0.237 4.289 1.00 0.00 C ATOM 1144 CD GLN A 71 17.792 -0.778 4.387 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.725 -0.051 4.730 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.958 -2.060 4.084 1.00 0.00 N ATOM 0 H GLN A 71 13.577 0.819 5.029 1.00 0.00 H new ATOM 0 HA GLN A 71 15.044 2.882 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.046 1.583 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.678 1.725 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.819 -0.534 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.881 -0.687 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.157 -2.626 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.887 -2.479 4.131 1.00 0.00 H new ATOM 1155 N PRO A 72 14.560 1.668 1.412 1.00 0.00 N ATOM 1156 CA PRO A 72 14.071 1.078 0.163 1.00 0.00 C ATOM 1157 C PRO A 72 14.846 -0.175 -0.229 1.00 0.00 C ATOM 1158 O PRO A 72 15.980 -0.392 0.199 1.00 0.00 O ATOM 1159 CB PRO A 72 14.297 2.190 -0.866 1.00 0.00 C ATOM 1160 CG PRO A 72 15.409 3.006 -0.304 1.00 0.00 C ATOM 1161 CD PRO A 72 15.249 2.951 1.191 1.00 0.00 C ATOM 0 HA PRO A 72 13.033 0.756 0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.561 1.780 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.397 2.789 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.377 2.608 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.360 4.034 -0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.212 2.983 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.663 3.791 1.564 1.00 0.00 H new ATOM 1169 N PRO A 73 14.223 -1.021 -1.063 1.00 0.00 N ATOM 1170 CA PRO A 73 14.837 -2.267 -1.531 1.00 0.00 C ATOM 1171 C PRO A 73 15.993 -2.018 -2.493 1.00 0.00 C ATOM 1172 O PRO A 73 16.383 -0.873 -2.726 1.00 0.00 O ATOM 1173 CB PRO A 73 13.688 -2.980 -2.249 1.00 0.00 C ATOM 1174 CG PRO A 73 12.770 -1.886 -2.673 1.00 0.00 C ATOM 1175 CD PRO A 73 12.871 -0.826 -1.612 1.00 0.00 C ATOM 0 HA PRO A 73 15.268 -2.842 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.049 -3.549 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.185 -3.685 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.057 -1.491 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.746 -2.249 -2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.747 0.173 -2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.105 -0.949 -0.847 1.00 0.00 H new ATOM 1183 N ASP A 74 16.538 -3.095 -3.048 1.00 0.00 N ATOM 1184 CA ASP A 74 17.649 -2.992 -3.986 1.00 0.00 C ATOM 1185 C ASP A 74 17.175 -2.461 -5.335 1.00 0.00 C ATOM 1186 O ASP A 74 16.050 -2.727 -5.757 1.00 0.00 O ATOM 1187 CB ASP A 74 18.319 -4.355 -4.168 1.00 0.00 C ATOM 1188 CG ASP A 74 19.393 -4.615 -3.130 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.258 -3.735 -2.939 1.00 0.00 O ATOM 1190 OD2 ASP A 74 19.370 -5.699 -2.510 1.00 0.00 O ATOM 0 H ASP A 74 16.228 -4.049 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 74 18.375 -2.291 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.564 -5.139 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.759 -4.410 -5.164 1.00 0.00 H new ATOM 1195 N GLY A 75 18.040 -1.708 -6.007 1.00 0.00 N ATOM 1196 CA GLY A 75 17.691 -1.151 -7.301 1.00 0.00 C ATOM 1197 C GLY A 75 16.380 -0.391 -7.270 1.00 0.00 C ATOM 1198 O GLY A 75 15.571 -0.494 -8.192 1.00 0.00 O ATOM 0 H GLY A 75 18.977 -1.474 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.487 -0.484 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.624 -1.956 -8.033 1.00 0.00 H new ATOM 1202 N LYS A 76 16.166 0.374 -6.204 1.00 0.00 N ATOM 1203 CA LYS A 76 14.944 1.155 -6.055 1.00 0.00 C ATOM 1204 C LYS A 76 15.204 2.423 -5.248 1.00 0.00 C ATOM 1205 O LYS A 76 15.907 2.411 -4.238 1.00 0.00 O ATOM 1206 CB LYS A 76 13.860 0.317 -5.373 1.00 0.00 C ATOM 1207 CG LYS A 76 13.276 -0.765 -6.266 1.00 0.00 C ATOM 1208 CD LYS A 76 12.361 -0.178 -7.328 1.00 0.00 C ATOM 1209 CE LYS A 76 11.628 -1.268 -8.096 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.467 -1.837 -9.187 1.00 0.00 N ATOM 0 H LYS A 76 16.824 0.469 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 76 14.602 1.442 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.279 -0.147 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.057 0.976 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.084 -1.318 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.719 -1.478 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.637 0.488 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.947 0.426 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.337 -2.063 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.710 -0.860 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.950 -1.782 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.352 -1.296 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.686 -2.831 -8.974 1.00 0.00 H new ATOM 1224 N PRO A 77 14.623 3.543 -5.702 1.00 0.00 N ATOM 1225 CA PRO A 77 14.775 4.840 -5.036 1.00 0.00 C ATOM 1226 C PRO A 77 14.052 4.891 -3.695 1.00 0.00 C ATOM 1227 O PRO A 77 13.670 3.858 -3.144 1.00 0.00 O ATOM 1228 CB PRO A 77 14.142 5.823 -6.023 1.00 0.00 C ATOM 1229 CG PRO A 77 13.170 5.005 -6.801 1.00 0.00 C ATOM 1230 CD PRO A 77 13.772 3.631 -6.901 1.00 0.00 C ATOM 0 HA PRO A 77 15.817 5.060 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.644 6.641 -5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.894 6.270 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.201 4.971 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.005 5.432 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.006 2.856 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.353 3.512 -7.816 1.00 0.00 H new ATOM 1238 N ARG A 78 13.865 6.100 -3.174 1.00 0.00 N ATOM 1239 CA ARG A 78 13.187 6.285 -1.896 1.00 0.00 C ATOM 1240 C ARG A 78 11.849 6.992 -2.089 1.00 0.00 C ATOM 1241 O ARG A 78 10.902 6.766 -1.335 1.00 0.00 O ATOM 1242 CB ARG A 78 14.069 7.090 -0.939 1.00 0.00 C ATOM 1243 CG ARG A 78 13.352 7.525 0.328 1.00 0.00 C ATOM 1244 CD ARG A 78 14.335 7.828 1.448 1.00 0.00 C ATOM 1245 NE ARG A 78 13.742 7.623 2.767 1.00 0.00 N ATOM 1246 CZ ARG A 78 14.455 7.434 3.872 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.780 7.425 3.817 1.00 0.00 N ATOM 1248 NH2 ARG A 78 13.843 7.255 5.036 1.00 0.00 N ATOM 0 H ARG A 78 14.173 6.965 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 78 13.000 5.301 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.938 6.490 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.441 7.974 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.750 8.410 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.666 6.740 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.213 7.191 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.677 8.859 1.361 1.00 0.00 H new ATOM 0 HE ARG A 78 12.725 7.625 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.254 7.563 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.325 7.280 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.824 7.262 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.392 7.110 5.884 1.00 0.00 H new ATOM 1262 N ASP A 79 11.778 7.849 -3.101 1.00 0.00 N ATOM 1263 CA ASP A 79 10.556 8.589 -3.393 1.00 0.00 C ATOM 1264 C ASP A 79 9.420 7.639 -3.758 1.00 0.00 C ATOM 1265 O ASP A 79 8.244 7.990 -3.648 1.00 0.00 O ATOM 1266 CB ASP A 79 10.795 9.580 -4.533 1.00 0.00 C ATOM 1267 CG ASP A 79 11.453 10.861 -4.059 1.00 0.00 C ATOM 1268 OD1 ASP A 79 12.599 10.792 -3.568 1.00 0.00 O ATOM 1269 OD2 ASP A 79 10.821 11.932 -4.177 1.00 0.00 O ATOM 0 H ASP A 79 12.553 8.049 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 79 10.271 9.140 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.422 9.112 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.844 9.818 -5.009 1.00 0.00 H new ATOM 1274 N CYS A 80 9.778 6.436 -4.193 1.00 0.00 N ATOM 1275 CA CYS A 80 8.788 5.436 -4.576 1.00 0.00 C ATOM 1276 C CYS A 80 8.260 4.697 -3.351 1.00 0.00 C ATOM 1277 O CYS A 80 7.508 3.729 -3.473 1.00 0.00 O ATOM 1278 CB CYS A 80 9.396 4.440 -5.565 1.00 0.00 C ATOM 1279 SG CYS A 80 10.621 3.328 -4.835 1.00 0.00 S ATOM 0 H CYS A 80 10.746 6.130 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 80 7.954 5.950 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.595 3.844 -6.002 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.863 4.993 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 80 10.014 2.384 -4.179 1.00 0.00 H new ATOM 1285 N LEU A 81 8.659 5.158 -2.171 1.00 0.00 N ATOM 1286 CA LEU A 81 8.227 4.539 -0.922 1.00 0.00 C ATOM 1287 C LEU A 81 6.875 5.090 -0.481 1.00 0.00 C ATOM 1288 O LEU A 81 6.588 6.275 -0.657 1.00 0.00 O ATOM 1289 CB LEU A 81 9.269 4.775 0.174 1.00 0.00 C ATOM 1290 CG LEU A 81 10.566 3.975 0.049 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.388 4.090 1.323 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.266 2.517 -0.265 1.00 0.00 C ATOM 0 H LEU A 81 9.281 5.958 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 81 8.124 3.467 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.520 5.836 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.814 4.543 1.137 1.00 0.00 H new ATOM 0 HG LEU A 81 11.148 4.390 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.307 3.514 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.634 5.136 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.813 3.702 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.201 1.963 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.663 2.089 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.719 2.452 -1.206 1.00 0.00 H new ATOM 1304 N LEU A 82 6.049 4.225 0.096 1.00 0.00 N ATOM 1305 CA LEU A 82 4.727 4.625 0.566 1.00 0.00 C ATOM 1306 C LEU A 82 4.401 3.966 1.902 1.00 0.00 C ATOM 1307 O LEU A 82 4.335 2.741 2.001 1.00 0.00 O ATOM 1308 CB LEU A 82 3.663 4.256 -0.470 1.00 0.00 C ATOM 1309 CG LEU A 82 2.324 4.983 -0.344 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.361 6.304 -1.096 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.191 4.106 -0.858 1.00 0.00 C ATOM 0 H LEU A 82 6.271 3.241 0.250 1.00 0.00 H new ATOM 0 HA LEU A 82 4.730 5.706 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.068 4.452 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.479 3.184 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 82 2.144 5.194 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.399 6.807 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.147 6.936 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.564 6.117 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.245 4.639 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.365 3.864 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.150 3.186 -0.275 1.00 0.00 H new ATOM 1323 N GLN A 83 4.197 4.787 2.927 1.00 0.00 N ATOM 1324 CA GLN A 83 3.877 4.283 4.257 1.00 0.00 C ATOM 1325 C GLN A 83 2.476 4.714 4.680 1.00 0.00 C ATOM 1326 O GLN A 83 1.948 5.710 4.186 1.00 0.00 O ATOM 1327 CB GLN A 83 4.905 4.780 5.275 1.00 0.00 C ATOM 1328 CG GLN A 83 5.122 3.825 6.437 1.00 0.00 C ATOM 1329 CD GLN A 83 6.302 4.218 7.304 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.164 5.007 8.239 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.471 3.669 6.997 1.00 0.00 N ATOM 0 H GLN A 83 4.248 5.804 2.862 1.00 0.00 H new ATOM 0 HA GLN A 83 3.908 3.194 4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.856 4.944 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.581 5.745 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.221 3.794 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.280 2.818 6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.539 3.020 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.301 3.896 7.545 1.00 0.00 H new ATOM 1340 N ILE A 84 1.881 3.957 5.595 1.00 0.00 N ATOM 1341 CA ILE A 84 0.542 4.262 6.084 1.00 0.00 C ATOM 1342 C ILE A 84 0.495 4.240 7.608 1.00 0.00 C ATOM 1343 O ILE A 84 0.562 3.177 8.227 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.498 3.267 5.535 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.320 3.091 4.025 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.907 3.742 5.856 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.631 4.340 3.231 1.00 0.00 C ATOM 0 H ILE A 84 2.304 3.128 6.013 1.00 0.00 H new ATOM 0 HA ILE A 84 0.297 5.263 5.730 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.343 2.301 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.707 2.787 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.966 2.282 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.630 3.028 5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.027 3.821 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.075 4.718 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.484 4.142 2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.666 4.633 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.032 5.146 3.546 1.00 0.00 H new ATOM 1359 N VAL A 85 0.377 5.420 8.208 1.00 0.00 N ATOM 1360 CA VAL A 85 0.318 5.536 9.660 1.00 0.00 C ATOM 1361 C VAL A 85 -1.089 5.255 10.177 1.00 0.00 C ATOM 1362 O VAL A 85 -2.013 6.037 9.949 1.00 0.00 O ATOM 1363 CB VAL A 85 0.755 6.937 10.129 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.558 7.083 11.631 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.203 7.199 9.745 1.00 0.00 C ATOM 0 H VAL A 85 0.320 6.309 7.711 1.00 0.00 H new ATOM 0 HA VAL A 85 1.006 4.794 10.065 1.00 0.00 H new ATOM 0 HB VAL A 85 0.131 7.679 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.872 8.079 11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.495 6.941 11.875 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.155 6.334 12.151 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.495 8.193 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.844 6.453 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.309 7.139 8.662 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.244 4.135 10.874 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.539 3.750 11.424 1.00 0.00 C ATOM 1377 C CYS A 86 -2.858 4.556 12.679 1.00 0.00 C ATOM 1378 O CYS A 86 -2.013 5.292 13.187 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.555 2.255 11.745 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.354 1.186 10.300 1.00 0.00 S ATOM 0 H CYS A 86 -0.489 3.478 11.072 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.302 3.962 10.675 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.758 2.039 12.457 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.497 2.010 12.236 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.506 0.681 9.970 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.084 4.412 13.172 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.516 5.129 14.365 1.00 0.00 C ATOM 1388 C ARG A 87 -3.670 4.735 15.572 1.00 0.00 C ATOM 1389 O ARG A 87 -2.832 5.509 16.034 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.993 4.846 14.650 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.942 5.540 13.687 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.363 5.567 14.229 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.459 6.322 15.476 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.466 6.201 16.333 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.459 5.359 16.080 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.483 6.923 17.446 1.00 0.00 N ATOM 0 H ARG A 87 -4.795 3.805 12.764 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.386 6.196 14.184 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.164 3.770 14.604 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.225 5.162 15.667 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.600 6.559 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.927 5.026 12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.026 6.009 13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.707 4.546 14.396 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.711 6.978 15.701 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.450 4.802 15.225 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.231 5.268 16.740 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.722 7.572 17.644 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.257 6.829 18.103 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.896 3.528 16.078 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.154 3.031 17.231 1.00 0.00 C ATOM 1412 C ASP A 88 -1.665 3.330 17.089 1.00 0.00 C ATOM 1413 O ASP A 88 -1.070 3.987 17.943 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.371 1.525 17.394 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.815 0.998 18.702 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.729 1.458 19.114 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.467 0.127 19.315 1.00 0.00 O ATOM 0 H ASP A 88 -4.587 2.875 15.708 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.526 3.542 18.119 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.438 1.307 17.342 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.898 1.001 16.564 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.069 2.842 16.006 1.00 0.00 N ATOM 1423 CA GLY A 89 0.346 3.067 15.773 1.00 0.00 C ATOM 1424 C GLY A 89 0.886 2.229 14.631 1.00 0.00 C ATOM 1425 O GLY A 89 1.865 2.603 13.985 1.00 0.00 O ATOM 0 H GLY A 89 -1.540 2.295 15.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.512 4.122 15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.902 2.838 16.682 1.00 0.00 H new ATOM 1429 N LYS A 90 0.247 1.091 14.381 1.00 0.00 N ATOM 1430 CA LYS A 90 0.669 0.196 13.310 1.00 0.00 C ATOM 1431 C LYS A 90 1.128 0.987 12.089 1.00 0.00 C ATOM 1432 O LYS A 90 0.451 1.916 11.648 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.476 -0.743 12.922 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.008 -2.085 12.386 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.180 -2.976 12.013 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.657 -2.705 10.594 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.913 -3.440 10.281 1.00 0.00 N ATOM 0 H LYS A 90 -0.565 0.767 14.906 1.00 0.00 H new ATOM 0 HA LYS A 90 1.509 -0.396 13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.109 -0.910 13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.094 -0.256 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.624 -1.928 11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.605 -2.584 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.887 -4.022 12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.000 -2.811 12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.820 -1.635 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.880 -2.997 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.942 -3.661 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.944 -4.324 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.732 -2.850 10.530 1.00 0.00 H new ATOM 1451 N THR A 91 2.282 0.611 11.546 1.00 0.00 N ATOM 1452 CA THR A 91 2.831 1.285 10.376 1.00 0.00 C ATOM 1453 C THR A 91 3.196 0.284 9.286 1.00 0.00 C ATOM 1454 O THR A 91 3.981 -0.637 9.514 1.00 0.00 O ATOM 1455 CB THR A 91 4.080 2.111 10.738 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.777 3.012 11.809 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.578 2.895 9.534 1.00 0.00 C ATOM 0 H THR A 91 2.854 -0.157 11.898 1.00 0.00 H new ATOM 0 HA THR A 91 2.056 1.956 10.005 1.00 0.00 H new ATOM 0 HB THR A 91 4.865 1.423 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.221 2.555 12.474 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.460 3.470 9.814 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.835 2.204 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.796 3.573 9.193 1.00 0.00 H new ATOM 1465 N ILE A 92 2.623 0.470 8.102 1.00 0.00 N ATOM 1466 CA ILE A 92 2.891 -0.416 6.976 1.00 0.00 C ATOM 1467 C ILE A 92 3.810 0.250 5.959 1.00 0.00 C ATOM 1468 O ILE A 92 3.516 1.336 5.458 1.00 0.00 O ATOM 1469 CB ILE A 92 1.588 -0.843 6.274 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.623 -1.473 7.280 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.891 -1.813 5.142 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.828 -1.388 6.859 1.00 0.00 C ATOM 0 H ILE A 92 1.970 1.226 7.897 1.00 0.00 H new ATOM 0 HA ILE A 92 3.383 -1.301 7.380 1.00 0.00 H new ATOM 0 HB ILE A 92 1.113 0.042 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.891 -2.520 7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.743 -0.980 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.961 -2.106 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.545 -1.331 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.385 -2.698 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.455 -1.854 7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.113 -0.342 6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.962 -1.906 5.910 1.00 0.00 H new ATOM 1484 N SER A 93 4.924 -0.409 5.655 1.00 0.00 N ATOM 1485 CA SER A 93 5.888 0.120 4.697 1.00 0.00 C ATOM 1486 C SER A 93 5.684 -0.503 3.320 1.00 0.00 C ATOM 1487 O SER A 93 5.821 -1.715 3.148 1.00 0.00 O ATOM 1488 CB SER A 93 7.315 -0.141 5.182 1.00 0.00 C ATOM 1489 OG SER A 93 7.477 0.257 6.532 1.00 0.00 O ATOM 0 H SER A 93 5.181 -1.310 6.058 1.00 0.00 H new ATOM 0 HA SER A 93 5.730 1.195 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.548 -1.201 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.021 0.401 4.553 1.00 0.00 H new ATOM 0 HG SER A 93 8.340 -0.064 6.866 1.00 0.00 H new ATOM 1495 N LEU A 94 5.355 0.333 2.342 1.00 0.00 N ATOM 1496 CA LEU A 94 5.132 -0.134 0.978 1.00 0.00 C ATOM 1497 C LEU A 94 6.112 0.521 0.010 1.00 0.00 C ATOM 1498 O LEU A 94 6.725 1.541 0.328 1.00 0.00 O ATOM 1499 CB LEU A 94 3.695 0.162 0.545 1.00 0.00 C ATOM 1500 CG LEU A 94 2.603 -0.192 1.556 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.257 0.347 1.098 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.535 -1.698 1.762 1.00 0.00 C ATOM 0 H LEU A 94 5.237 1.338 2.468 1.00 0.00 H new ATOM 0 HA LEU A 94 5.297 -1.211 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.618 1.224 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.496 -0.380 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 94 2.852 0.274 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.492 0.086 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.313 1.431 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.000 -0.089 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.753 -1.931 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.310 -2.185 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.493 -2.058 2.136 1.00 0.00 H new ATOM 1514 N CYS A 95 6.253 -0.069 -1.171 1.00 0.00 N ATOM 1515 CA CYS A 95 7.157 0.458 -2.187 1.00 0.00 C ATOM 1516 C CYS A 95 6.607 0.209 -3.587 1.00 0.00 C ATOM 1517 O CYS A 95 6.205 -0.906 -3.917 1.00 0.00 O ATOM 1518 CB CYS A 95 8.541 -0.179 -2.048 1.00 0.00 C ATOM 1519 SG CYS A 95 9.790 0.522 -3.150 1.00 0.00 S ATOM 0 H CYS A 95 5.753 -0.913 -1.449 1.00 0.00 H new ATOM 0 HA CYS A 95 7.244 1.534 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.878 -0.069 -1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.458 -1.248 -2.243 1.00 0.00 H new ATOM 0 HG CYS A 95 10.668 -0.390 -3.447 1.00 0.00 H new ATOM 1525 N ALA A 96 6.591 1.255 -4.406 1.00 0.00 N ATOM 1526 CA ALA A 96 6.091 1.150 -5.771 1.00 0.00 C ATOM 1527 C ALA A 96 7.228 0.894 -6.754 1.00 0.00 C ATOM 1528 O ALA A 96 8.391 1.157 -6.453 1.00 0.00 O ATOM 1529 CB ALA A 96 5.333 2.412 -6.154 1.00 0.00 C ATOM 0 H ALA A 96 6.919 2.186 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 96 5.408 0.302 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.965 2.320 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.491 2.550 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.999 3.272 -6.085 1.00 0.00 H new ATOM 1535 N GLU A 97 6.883 0.380 -7.930 1.00 0.00 N ATOM 1536 CA GLU A 97 7.876 0.087 -8.957 1.00 0.00 C ATOM 1537 C GLU A 97 8.699 1.329 -9.287 1.00 0.00 C ATOM 1538 O GLU A 97 9.920 1.260 -9.425 1.00 0.00 O ATOM 1539 CB GLU A 97 7.195 -0.439 -10.222 1.00 0.00 C ATOM 1540 CG GLU A 97 8.066 -1.383 -11.034 1.00 0.00 C ATOM 1541 CD GLU A 97 9.275 -0.692 -11.634 1.00 0.00 C ATOM 1542 OE1 GLU A 97 9.152 0.491 -12.017 1.00 0.00 O ATOM 1543 OE2 GLU A 97 10.343 -1.333 -11.720 1.00 0.00 O ATOM 0 H GLU A 97 5.924 0.158 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 97 8.547 -0.680 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.277 -0.955 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.908 0.406 -10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.400 -2.202 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.470 -1.824 -11.833 1.00 0.00 H new ATOM 1550 N SER A 98 8.020 2.465 -9.414 1.00 0.00 N ATOM 1551 CA SER A 98 8.686 3.722 -9.732 1.00 0.00 C ATOM 1552 C SER A 98 7.896 4.909 -9.188 1.00 0.00 C ATOM 1553 O SER A 98 6.700 4.801 -8.913 1.00 0.00 O ATOM 1554 CB SER A 98 8.860 3.862 -11.246 1.00 0.00 C ATOM 1555 OG SER A 98 9.732 4.934 -11.562 1.00 0.00 O ATOM 0 H SER A 98 7.009 2.540 -9.301 1.00 0.00 H new ATOM 0 HA SER A 98 9.668 3.714 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.256 2.933 -11.657 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.889 4.029 -11.713 1.00 0.00 H new ATOM 0 HG SER A 98 9.828 5.002 -12.535 1.00 0.00 H new ATOM 1561 N THR A 99 8.573 6.043 -9.035 1.00 0.00 N ATOM 1562 CA THR A 99 7.936 7.250 -8.523 1.00 0.00 C ATOM 1563 C THR A 99 6.533 7.416 -9.095 1.00 0.00 C ATOM 1564 O THR A 99 5.599 7.776 -8.378 1.00 0.00 O ATOM 1565 CB THR A 99 8.765 8.505 -8.854 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.119 8.326 -8.423 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.174 9.736 -8.184 1.00 0.00 C ATOM 0 H THR A 99 9.562 6.151 -9.258 1.00 0.00 H new ATOM 0 HA THR A 99 7.873 7.140 -7.440 1.00 0.00 H new ATOM 0 HB THR A 99 8.744 8.652 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.640 9.128 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.776 10.610 -8.432 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.153 9.887 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.168 9.595 -7.103 1.00 0.00 H new ATOM 1575 N ASP A 100 6.392 7.153 -10.389 1.00 0.00 N ATOM 1576 CA ASP A 100 5.101 7.272 -11.057 1.00 0.00 C ATOM 1577 C ASP A 100 4.031 6.473 -10.318 1.00 0.00 C ATOM 1578 O ASP A 100 2.998 7.016 -9.926 1.00 0.00 O ATOM 1579 CB ASP A 100 5.205 6.790 -12.505 1.00 0.00 C ATOM 1580 CG ASP A 100 3.852 6.457 -13.103 1.00 0.00 C ATOM 1581 OD1 ASP A 100 3.212 5.498 -12.625 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.434 7.156 -14.051 1.00 0.00 O ATOM 0 H ASP A 100 7.156 6.856 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 100 4.813 8.323 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.686 7.561 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.844 5.908 -12.546 1.00 0.00 H new ATOM 1587 N ASP A 101 4.286 5.183 -10.133 1.00 0.00 N ATOM 1588 CA ASP A 101 3.345 4.309 -9.441 1.00 0.00 C ATOM 1589 C ASP A 101 3.044 4.835 -8.041 1.00 0.00 C ATOM 1590 O ASP A 101 1.888 4.880 -7.619 1.00 0.00 O ATOM 1591 CB ASP A 101 3.903 2.888 -9.357 1.00 0.00 C ATOM 1592 CG ASP A 101 2.810 1.840 -9.289 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.162 1.589 -10.327 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.603 1.270 -8.198 1.00 0.00 O ATOM 0 H ASP A 101 5.136 4.719 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 101 2.416 4.292 -10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.533 2.696 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.540 2.802 -8.477 1.00 0.00 H new ATOM 1599 N CYS A 102 4.092 5.229 -7.326 1.00 0.00 N ATOM 1600 CA CYS A 102 3.940 5.749 -5.971 1.00 0.00 C ATOM 1601 C CYS A 102 3.013 6.960 -5.955 1.00 0.00 C ATOM 1602 O CYS A 102 2.023 6.988 -5.223 1.00 0.00 O ATOM 1603 CB CYS A 102 5.304 6.128 -5.393 1.00 0.00 C ATOM 1604 SG CYS A 102 5.236 6.775 -3.705 1.00 0.00 S ATOM 0 H CYS A 102 5.055 5.199 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 102 3.497 4.967 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.950 5.250 -5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.766 6.875 -6.039 1.00 0.00 H new ATOM 0 HG CYS A 102 6.369 7.340 -3.411 1.00 0.00 H new ATOM 1610 N LEU A 103 3.341 7.961 -6.765 1.00 0.00 N ATOM 1611 CA LEU A 103 2.538 9.177 -6.843 1.00 0.00 C ATOM 1612 C LEU A 103 1.063 8.843 -7.040 1.00 0.00 C ATOM 1613 O LEU A 103 0.200 9.361 -6.332 1.00 0.00 O ATOM 1614 CB LEU A 103 3.030 10.063 -7.989 1.00 0.00 C ATOM 1615 CG LEU A 103 4.274 10.904 -7.700 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.838 11.483 -8.989 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.951 12.014 -6.711 1.00 0.00 C ATOM 0 H LEU A 103 4.157 7.955 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 103 2.647 9.717 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.237 9.427 -8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.221 10.734 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 103 5.030 10.258 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.723 12.078 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.109 10.672 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.087 12.114 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.848 12.602 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.178 12.659 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.595 11.578 -5.778 1.00 0.00 H new ATOM 1629 N ALA A 104 0.781 7.975 -8.005 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.589 7.569 -8.292 1.00 0.00 C ATOM 1631 C ALA A 104 -1.293 7.081 -7.030 1.00 0.00 C ATOM 1632 O ALA A 104 -2.371 7.563 -6.684 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.606 6.486 -9.361 1.00 0.00 C ATOM 0 H ALA A 104 1.484 7.539 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.129 8.440 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.636 6.192 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.150 6.869 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.045 5.620 -9.011 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.676 6.123 -6.348 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.245 5.569 -5.124 1.00 0.00 C ATOM 1641 C TRP A 105 -1.462 6.661 -4.083 1.00 0.00 C ATOM 1642 O TRP A 105 -2.583 6.880 -3.622 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.330 4.482 -4.559 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.612 3.119 -5.114 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.205 2.375 -5.916 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.796 2.339 -4.910 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.399 1.180 -6.223 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.626 1.133 -5.618 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.981 2.541 -4.198 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.598 0.136 -5.633 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.945 1.551 -4.214 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.749 0.361 -4.926 1.00 0.00 C ATOM 0 H TRP A 105 0.217 5.714 -6.621 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.212 5.129 -5.368 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.707 4.745 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.438 4.454 -3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.182 2.681 -6.259 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.002 0.446 -6.807 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.141 3.455 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.449 -0.782 -6.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.865 1.697 -3.668 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.521 -0.394 -4.917 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.384 7.344 -3.714 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.457 8.415 -2.727 1.00 0.00 C ATOM 1665 C LYS A 106 -1.665 9.311 -2.984 1.00 0.00 C ATOM 1666 O LYS A 106 -2.515 9.487 -2.112 1.00 0.00 O ATOM 1667 CB LYS A 106 0.826 9.250 -2.756 1.00 0.00 C ATOM 1668 CG LYS A 106 0.699 10.583 -2.038 1.00 0.00 C ATOM 1669 CD LYS A 106 2.049 11.264 -1.885 1.00 0.00 C ATOM 1670 CE LYS A 106 1.899 12.693 -1.386 1.00 0.00 C ATOM 1671 NZ LYS A 106 3.094 13.141 -0.618 1.00 0.00 N ATOM 0 H LYS A 106 0.551 7.175 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.567 7.961 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.633 8.677 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.109 9.431 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.023 11.233 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.255 10.427 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.667 10.697 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.568 11.265 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.742 13.359 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.013 12.766 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.796 13.491 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 3.748 12.341 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.574 13.904 -1.137 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.734 9.873 -4.186 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.839 10.749 -4.558 1.00 0.00 C ATOM 1687 C PHE A 107 -4.178 10.037 -4.391 1.00 0.00 C ATOM 1688 O PHE A 107 -5.141 10.610 -3.880 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.677 11.224 -6.003 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.500 12.135 -6.206 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.322 13.249 -5.402 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.571 11.876 -7.201 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.240 14.089 -5.588 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.513 12.712 -7.391 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.679 13.819 -6.583 1.00 0.00 C ATOM 0 H PHE A 107 -1.038 9.738 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.823 11.614 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.570 10.355 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.585 11.743 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.037 13.464 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.695 11.011 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.113 14.956 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.229 12.500 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.526 14.473 -6.729 1.00 0.00 H new ATOM 1705 N THR A 108 -4.233 8.782 -4.828 1.00 0.00 N ATOM 1706 CA THR A 108 -5.453 7.991 -4.730 1.00 0.00 C ATOM 1707 C THR A 108 -5.938 7.906 -3.287 1.00 0.00 C ATOM 1708 O THR A 108 -7.136 8.008 -3.017 1.00 0.00 O ATOM 1709 CB THR A 108 -5.243 6.566 -5.274 1.00 0.00 C ATOM 1710 OG1 THR A 108 -4.757 6.622 -6.620 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.542 5.774 -5.232 1.00 0.00 C ATOM 0 H THR A 108 -3.446 8.292 -5.253 1.00 0.00 H new ATOM 0 HA THR A 108 -6.207 8.495 -5.335 1.00 0.00 H new ATOM 0 HB THR A 108 -4.509 6.065 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.777 6.639 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.369 4.771 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.895 5.708 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.294 6.275 -5.842 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.002 7.718 -2.363 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.335 7.620 -0.946 1.00 0.00 C ATOM 1721 C LEU A 109 -5.820 8.962 -0.406 1.00 0.00 C ATOM 1722 O LEU A 109 -6.890 9.049 0.195 1.00 0.00 O ATOM 1723 CB LEU A 109 -4.119 7.145 -0.148 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.512 5.810 -0.580 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.044 5.740 -0.191 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.284 4.651 0.033 1.00 0.00 C ATOM 0 H LEU A 109 -4.007 7.630 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.140 6.893 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.346 7.911 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.405 7.069 0.901 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.583 5.735 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.629 4.783 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.500 6.549 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.949 5.838 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.838 3.708 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.245 4.722 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.322 4.691 -0.296 1.00 0.00 H new ATOM 1738 N GLN A 110 -5.026 10.004 -0.627 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.375 11.342 -0.163 1.00 0.00 C ATOM 1740 C GLN A 110 -6.779 11.726 -0.619 1.00 0.00 C ATOM 1741 O GLN A 110 -7.401 12.627 -0.055 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.361 12.364 -0.678 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.069 12.396 0.122 1.00 0.00 C ATOM 1744 CD GLN A 110 -3.147 13.323 1.319 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.490 14.498 1.188 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -2.827 12.797 2.496 1.00 0.00 N ATOM 0 H GLN A 110 -4.137 9.948 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.354 11.339 0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.128 12.140 -1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.815 13.355 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.832 11.388 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.252 12.714 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.548 11.818 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.860 13.372 3.338 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.272 11.038 -1.643 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.603 11.307 -2.174 1.00 0.00 C ATOM 1757 C ASP A 111 -9.659 10.495 -1.431 1.00 0.00 C ATOM 1758 O ASP A 111 -10.711 11.017 -1.060 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.653 10.986 -3.669 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.748 11.749 -4.389 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.860 12.974 -4.171 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.492 11.122 -5.170 1.00 0.00 O ATOM 0 H ASP A 111 -6.770 10.290 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.818 12.366 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.690 11.225 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.812 9.916 -3.803 1.00 0.00 H new ATOM 1767 N SER A 112 -9.373 9.214 -1.219 1.00 0.00 N ATOM 1768 CA SER A 112 -10.300 8.328 -0.525 1.00 0.00 C ATOM 1769 C SER A 112 -10.530 8.798 0.909 1.00 0.00 C ATOM 1770 O SER A 112 -11.434 8.319 1.593 1.00 0.00 O ATOM 1771 CB SER A 112 -9.764 6.895 -0.524 1.00 0.00 C ATOM 1772 OG SER A 112 -8.472 6.834 0.055 1.00 0.00 O ATOM 0 H SER A 112 -8.506 8.767 -1.518 1.00 0.00 H new ATOM 0 HA SER A 112 -11.253 8.352 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.445 6.249 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.726 6.517 -1.546 1.00 0.00 H new ATOM 0 HG SER A 112 -8.029 7.703 -0.041 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.705 9.739 1.356 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.817 10.274 2.708 1.00 0.00 C ATOM 1780 C ARG A 113 -11.104 11.077 2.870 1.00 0.00 C ATOM 1781 O ARG A 113 -11.601 11.257 3.982 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.609 11.155 3.032 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.290 10.400 3.045 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.250 11.111 3.896 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.888 12.414 3.343 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.076 13.271 3.952 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.545 12.965 5.128 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -4.795 14.437 3.385 1.00 0.00 N ATOM 0 H ARG A 113 -8.952 10.147 0.802 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.843 9.435 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.550 11.960 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.761 11.621 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.450 9.393 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.919 10.297 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.636 11.241 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.358 10.489 3.973 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.280 12.680 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.760 12.070 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.922 13.625 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.203 14.676 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.171 15.095 3.853 1.00 0.00 H new ATOM 1802 N THR A 114 -11.640 11.558 1.753 1.00 0.00 N ATOM 1803 CA THR A 114 -12.868 12.343 1.770 1.00 0.00 C ATOM 1804 C THR A 114 -14.095 11.448 1.634 1.00 0.00 C ATOM 1805 O THR A 114 -15.029 11.767 0.899 1.00 0.00 O ATOM 1806 CB THR A 114 -12.882 13.389 0.640 1.00 0.00 C ATOM 1807 OG1 THR A 114 -12.197 12.879 -0.508 1.00 0.00 O ATOM 1808 CG2 THR A 114 -12.227 14.685 1.095 1.00 0.00 C ATOM 0 H THR A 114 -11.243 11.418 0.824 1.00 0.00 H new ATOM 0 HA THR A 114 -12.901 12.857 2.731 1.00 0.00 H new ATOM 0 HB THR A 114 -13.920 13.597 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 114 -12.244 11.900 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.248 15.409 0.280 1.00 0.00 H new ATOM 0 HG22 THR A 114 -12.770 15.086 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 114 -11.193 14.490 1.380 1.00 0.00 H new ATOM 1816 N SER A 115 -14.085 10.326 2.347 1.00 0.00 N ATOM 1817 CA SER A 115 -15.197 9.383 2.303 1.00 0.00 C ATOM 1818 C SER A 115 -15.803 9.192 3.690 1.00 0.00 C ATOM 1819 O SER A 115 -15.121 8.775 4.626 1.00 0.00 O ATOM 1820 CB SER A 115 -14.728 8.036 1.749 1.00 0.00 C ATOM 1821 OG SER A 115 -15.810 7.127 1.635 1.00 0.00 O ATOM 0 H SER A 115 -13.320 10.048 2.962 1.00 0.00 H new ATOM 0 HA SER A 115 -15.963 9.793 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.267 8.182 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.964 7.616 2.403 1.00 0.00 H new ATOM 0 HG SER A 115 -15.485 6.275 1.277 1.00 0.00 H new ATOM 1827 N GLY A 116 -17.090 9.501 3.814 1.00 0.00 N ATOM 1828 CA GLY A 116 -17.768 9.358 5.089 1.00 0.00 C ATOM 1829 C GLY A 116 -19.190 9.879 5.052 1.00 0.00 C ATOM 1830 O GLY A 116 -20.150 9.118 4.925 1.00 0.00 O ATOM 0 H GLY A 116 -17.675 9.848 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.777 8.306 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.208 9.893 5.856 1.00 0.00 H new ATOM 1834 N PRO A 117 -19.342 11.207 5.166 1.00 0.00 N ATOM 1835 CA PRO A 117 -20.655 11.858 5.148 1.00 0.00 C ATOM 1836 C PRO A 117 -21.311 11.803 3.773 1.00 0.00 C ATOM 1837 O PRO A 117 -20.675 12.092 2.759 1.00 0.00 O ATOM 1838 CB PRO A 117 -20.337 13.306 5.532 1.00 0.00 C ATOM 1839 CG PRO A 117 -18.918 13.503 5.124 1.00 0.00 C ATOM 1840 CD PRO A 117 -18.242 12.174 5.320 1.00 0.00 C ATOM 0 HA PRO A 117 -21.362 11.370 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -20.997 14.006 5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -20.468 13.470 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -18.852 13.825 4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -18.442 14.276 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.456 12.010 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -17.777 12.101 6.303 1.00 0.00 H new ATOM 1848 N SER A 118 -22.586 11.431 3.745 1.00 0.00 N ATOM 1849 CA SER A 118 -23.328 11.335 2.493 1.00 0.00 C ATOM 1850 C SER A 118 -22.925 12.453 1.536 1.00 0.00 C ATOM 1851 O SER A 118 -22.716 13.594 1.949 1.00 0.00 O ATOM 1852 CB SER A 118 -24.833 11.395 2.761 1.00 0.00 C ATOM 1853 OG SER A 118 -25.572 11.128 1.582 1.00 0.00 O ATOM 0 H SER A 118 -23.128 11.191 4.575 1.00 0.00 H new ATOM 0 HA SER A 118 -23.087 10.379 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 118 -25.097 10.671 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 118 -25.098 12.380 3.145 1.00 0.00 H new ATOM 0 HG SER A 118 -26.531 11.171 1.780 1.00 0.00 H new ATOM 1859 N SER A 119 -22.818 12.117 0.255 1.00 0.00 N ATOM 1860 CA SER A 119 -22.436 13.091 -0.762 1.00 0.00 C ATOM 1861 C SER A 119 -23.622 13.430 -1.660 1.00 0.00 C ATOM 1862 O SER A 119 -24.070 14.575 -1.710 1.00 0.00 O ATOM 1863 CB SER A 119 -21.280 12.552 -1.606 1.00 0.00 C ATOM 1864 OG SER A 119 -21.113 13.315 -2.788 1.00 0.00 O ATOM 0 H SER A 119 -22.990 11.178 -0.104 1.00 0.00 H new ATOM 0 HA SER A 119 -22.113 14.001 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 119 -20.359 12.573 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.470 11.510 -1.865 1.00 0.00 H new ATOM 0 HG SER A 119 -20.367 12.951 -3.309 1.00 0.00 H new ATOM 1870 N GLY A 120 -24.125 12.425 -2.371 1.00 0.00 N ATOM 1871 CA GLY A 120 -25.253 12.636 -3.259 1.00 0.00 C ATOM 1872 C GLY A 120 -24.902 13.513 -4.444 1.00 0.00 C ATOM 1873 O GLY A 120 -25.627 14.455 -4.764 1.00 0.00 O ATOM 0 H GLY A 120 -23.771 11.469 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -25.614 11.672 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -26.070 13.094 -2.701 1.00 0.00 H new TER 1877 GLY A 120