USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 21 LYS NZ :NH3+ -151:sc= 0.0815 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= -0.357 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.54! C(o=-2.4!,f=-7.4!) USER MOD Set 2.2: A 73 ASN : amide:sc= -0.138 K(o=-2.4,f=-1.5) USER MOD Set 2.3: A 77 HIS : no HD1:sc= -0.722 K(o=-2.4,f=-1.5) USER MOD Set 3.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 88 HIS : no HD1:sc= 0 X(o=0,f=0.071) USER MOD Set 4.1: A 63 LYS NZ :NH3+ -161:sc=-0.00909 (180deg=-0.123) USER MOD Set 4.2: A 67 SER OG : rot -110:sc= 0.0231 USER MOD Set 5.1: A 29 MET CE :methyl -168:sc= -2.54 (180deg=-2.71!) USER MOD Set 5.2: A 70 SER OG : rot 98:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -139:sc= -8.46! (180deg=-10.3!) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.109 (180deg=-1.6!) USER MOD Single : A 4 LYS NZ :NH3+ 123:sc= -0.0605 (180deg=-0.423) USER MOD Single : A 7 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.5) USER MOD Single : A 8 CYS SG : rot 80:sc= 0.365 USER MOD Single : A 11 GLN : amide:sc= -1.54! K(o=-1.5!,f=0) USER MOD Single : A 12 HIS : no HE2:sc= 0.484 K(o=0.48,f=-3.7!) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.21) USER MOD Single : A 22 THR OG1 : rot -120:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0646 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -123:sc= -1.41 (180deg=-4.19!) USER MOD Single : A 31 SER OG : rot 85:sc= 0.798 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0246 (180deg=-0.202) USER MOD Single : A 45 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.731 K(o=-0.73,f=0) USER MOD Single : A 50 GLN : amide:sc= -4.69! K(o=-4.7!,f=-1.6) USER MOD Single : A 51 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 55 MET CE :methyl 160:sc= -2.19 (180deg=-2.66!) USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= 0.364 (180deg=-0.0397) USER MOD Single : A 59 MET CE :methyl -168:sc= -10.5! (180deg=-11.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.846 K(o=-0.85,f=-2.2!) USER MOD Single : A 68 TYR OH : rot 61:sc= -2.91! USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0794 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.926 -7.545 -8.804 1.00 0.00 N ATOM 62 CA MET A 1 5.465 -6.538 -9.729 1.00 0.00 C ATOM 63 C MET A 1 6.340 -6.526 -10.982 1.00 0.00 C ATOM 64 O MET A 1 7.327 -7.259 -11.073 1.00 0.00 O ATOM 65 CB MET A 1 5.528 -5.193 -9.016 1.00 0.00 C ATOM 66 CG MET A 1 4.743 -4.076 -9.676 1.00 0.00 C ATOM 67 SD MET A 1 4.671 -2.627 -8.627 1.00 0.00 S ATOM 68 CE MET A 1 4.083 -3.388 -7.117 1.00 0.00 C ATOM 0 H1 MET A 1 5.190 -8.271 -8.686 1.00 0.00 H new ATOM 0 H2 MET A 1 6.792 -7.987 -9.175 1.00 0.00 H new ATOM 0 H3 MET A 1 6.129 -7.105 -7.884 1.00 0.00 H new ATOM 0 HA MET A 1 4.444 -6.749 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.160 -5.322 -7.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.572 -4.888 -8.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.206 -3.816 -10.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.732 -4.419 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.337 -2.744 -6.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.634 -4.354 -7.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.919 -3.530 -6.432 1.00 0.00 H new ATOM 78 N ASP A 2 5.984 -5.676 -11.924 1.00 0.00 N ATOM 79 CA ASP A 2 6.740 -5.537 -13.161 1.00 0.00 C ATOM 80 C ASP A 2 7.850 -4.520 -12.977 1.00 0.00 C ATOM 81 O ASP A 2 7.627 -3.460 -12.407 1.00 0.00 O ATOM 82 CB ASP A 2 5.819 -5.110 -14.313 1.00 0.00 C ATOM 83 CG ASP A 2 6.541 -4.947 -15.645 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.696 -5.403 -15.776 1.00 0.00 O ATOM 85 OD2 ASP A 2 5.945 -4.374 -16.575 1.00 0.00 O ATOM 0 H ASP A 2 5.170 -5.065 -11.859 1.00 0.00 H new ATOM 0 HA ASP A 2 7.178 -6.503 -13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.027 -5.850 -14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.339 -4.167 -14.052 1.00 0.00 H new ATOM 90 N ALA A 3 9.037 -4.857 -13.453 1.00 0.00 N ATOM 91 CA ALA A 3 10.191 -3.980 -13.349 1.00 0.00 C ATOM 92 C ALA A 3 9.915 -2.645 -14.030 1.00 0.00 C ATOM 93 O ALA A 3 10.119 -1.595 -13.438 1.00 0.00 O ATOM 94 CB ALA A 3 11.416 -4.647 -13.955 1.00 0.00 C ATOM 0 H ALA A 3 9.227 -5.743 -13.921 1.00 0.00 H new ATOM 0 HA ALA A 3 10.386 -3.789 -12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.273 -3.979 -13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.625 -5.575 -13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.229 -4.865 -15.006 1.00 0.00 H new ATOM 100 N LYS A 4 9.422 -2.698 -15.265 1.00 0.00 N ATOM 101 CA LYS A 4 9.093 -1.484 -16.014 1.00 0.00 C ATOM 102 C LYS A 4 8.060 -0.659 -15.256 1.00 0.00 C ATOM 103 O LYS A 4 8.198 0.550 -15.121 1.00 0.00 O ATOM 104 CB LYS A 4 8.542 -1.833 -17.400 1.00 0.00 C ATOM 105 CG LYS A 4 9.594 -2.270 -18.407 1.00 0.00 C ATOM 106 CD LYS A 4 10.473 -1.113 -18.832 1.00 0.00 C ATOM 107 CE LYS A 4 11.275 -1.451 -20.082 1.00 0.00 C ATOM 108 NZ LYS A 4 10.400 -1.652 -21.271 1.00 0.00 N ATOM 0 H LYS A 4 9.241 -3.566 -15.769 1.00 0.00 H new ATOM 0 HA LYS A 4 10.008 -0.903 -16.131 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.806 -2.630 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.016 -0.965 -17.797 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.211 -3.056 -17.971 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.105 -2.697 -19.283 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.855 -0.235 -19.021 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.153 -0.855 -18.021 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.984 -0.648 -20.286 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.858 -2.354 -19.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.685 -0.997 -22.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.492 -2.631 -21.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.411 -1.468 -21.009 1.00 0.00 H new ATOM 122 N ALA A 5 7.044 -1.334 -14.756 1.00 0.00 N ATOM 123 CA ALA A 5 5.976 -0.700 -13.996 1.00 0.00 C ATOM 124 C ALA A 5 6.510 -0.064 -12.721 1.00 0.00 C ATOM 125 O ALA A 5 6.296 1.118 -12.449 1.00 0.00 O ATOM 126 CB ALA A 5 4.961 -1.770 -13.638 1.00 0.00 C ATOM 0 H ALA A 5 6.932 -2.342 -14.864 1.00 0.00 H new ATOM 0 HA ALA A 5 5.523 0.088 -14.598 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.147 -1.323 -13.067 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.563 -2.214 -14.551 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.443 -2.543 -13.039 1.00 0.00 H new ATOM 132 N ARG A 6 7.188 -0.876 -11.933 1.00 0.00 N ATOM 133 CA ARG A 6 7.738 -0.448 -10.659 1.00 0.00 C ATOM 134 C ARG A 6 8.808 0.631 -10.835 1.00 0.00 C ATOM 135 O ARG A 6 9.043 1.446 -9.941 1.00 0.00 O ATOM 136 CB ARG A 6 8.291 -1.666 -9.925 1.00 0.00 C ATOM 137 CG ARG A 6 7.930 -1.693 -8.453 1.00 0.00 C ATOM 138 CD ARG A 6 8.128 -3.080 -7.864 1.00 0.00 C ATOM 139 NE ARG A 6 9.527 -3.511 -7.899 1.00 0.00 N ATOM 140 CZ ARG A 6 9.936 -4.724 -7.539 1.00 0.00 C ATOM 141 NH1 ARG A 6 9.049 -5.627 -7.147 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.217 -5.033 -7.534 1.00 0.00 N ATOM 0 H ARG A 6 7.374 -1.853 -12.158 1.00 0.00 H new ATOM 0 HA ARG A 6 6.944 0.003 -10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.914 -2.571 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.376 -1.681 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.545 -0.974 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.892 -1.385 -8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.775 -3.087 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.517 -3.795 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 6 10.228 -2.842 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.057 -5.390 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.358 -6.559 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.911 -4.337 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.515 -5.968 -7.255 1.00 0.00 H new ATOM 156 N ASN A 7 9.445 0.640 -11.990 1.00 0.00 N ATOM 157 CA ASN A 7 10.474 1.622 -12.277 1.00 0.00 C ATOM 158 C ASN A 7 9.859 2.904 -12.791 1.00 0.00 C ATOM 159 O ASN A 7 10.144 3.958 -12.261 1.00 0.00 O ATOM 160 CB ASN A 7 11.513 1.080 -13.265 1.00 0.00 C ATOM 161 CG ASN A 7 12.571 0.230 -12.587 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.115 0.611 -11.554 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.887 -0.919 -13.169 1.00 0.00 N ATOM 0 H ASN A 7 9.268 -0.022 -12.746 1.00 0.00 H new ATOM 0 HA ASN A 7 10.994 1.838 -11.344 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.009 0.487 -14.028 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.994 1.914 -13.776 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.603 -1.518 -12.759 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.414 -1.203 -14.027 1.00 0.00 H new ATOM 170 N CYS A 8 8.993 2.829 -13.792 1.00 0.00 N ATOM 171 CA CYS A 8 8.329 4.030 -14.317 1.00 0.00 C ATOM 172 C CYS A 8 7.620 4.776 -13.190 1.00 0.00 C ATOM 173 O CYS A 8 7.367 5.978 -13.272 1.00 0.00 O ATOM 174 CB CYS A 8 7.312 3.632 -15.397 1.00 0.00 C ATOM 175 SG CYS A 8 8.037 2.957 -16.919 1.00 0.00 S ATOM 0 H CYS A 8 8.731 1.961 -14.258 1.00 0.00 H new ATOM 0 HA CYS A 8 9.082 4.686 -14.755 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.630 2.892 -14.978 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.715 4.507 -15.653 1.00 0.00 H new ATOM 0 HG CYS A 8 8.350 1.709 -16.734 1.00 0.00 H new ATOM 181 N LEU A 9 7.327 4.037 -12.143 1.00 0.00 N ATOM 182 CA LEU A 9 6.670 4.550 -10.969 1.00 0.00 C ATOM 183 C LEU A 9 7.633 5.354 -10.095 1.00 0.00 C ATOM 184 O LEU A 9 7.398 6.529 -9.818 1.00 0.00 O ATOM 185 CB LEU A 9 6.093 3.349 -10.204 1.00 0.00 C ATOM 186 CG LEU A 9 6.014 3.471 -8.685 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.971 4.495 -8.261 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.706 2.113 -8.079 1.00 0.00 C ATOM 0 H LEU A 9 7.545 3.042 -12.086 1.00 0.00 H new ATOM 0 HA LEU A 9 5.873 5.237 -11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.089 3.157 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.696 2.473 -10.443 1.00 0.00 H new ATOM 0 HG LEU A 9 6.980 3.819 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.942 4.556 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.231 5.471 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.992 4.193 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.650 2.203 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.752 1.751 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.494 1.409 -8.345 1.00 0.00 H new ATOM 200 N LEU A 10 8.700 4.709 -9.646 1.00 0.00 N ATOM 201 CA LEU A 10 9.671 5.360 -8.763 1.00 0.00 C ATOM 202 C LEU A 10 10.715 6.195 -9.515 1.00 0.00 C ATOM 203 O LEU A 10 11.252 7.159 -8.971 1.00 0.00 O ATOM 204 CB LEU A 10 10.367 4.299 -7.930 1.00 0.00 C ATOM 205 CG LEU A 10 9.628 3.880 -6.664 1.00 0.00 C ATOM 206 CD1 LEU A 10 9.938 2.435 -6.321 1.00 0.00 C ATOM 207 CD2 LEU A 10 10.014 4.787 -5.508 1.00 0.00 C ATOM 0 H LEU A 10 8.919 3.739 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 10 9.118 6.055 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.522 3.416 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.354 4.669 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 10 8.557 3.972 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.402 2.153 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.625 1.791 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.010 2.321 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.480 4.478 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.088 4.718 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.751 5.817 -5.750 1.00 0.00 H new ATOM 219 N GLN A 11 11.003 5.822 -10.760 1.00 0.00 N ATOM 220 CA GLN A 11 11.983 6.536 -11.590 1.00 0.00 C ATOM 221 C GLN A 11 11.540 7.972 -11.795 1.00 0.00 C ATOM 222 O GLN A 11 12.358 8.880 -11.861 1.00 0.00 O ATOM 223 CB GLN A 11 12.138 5.833 -12.937 1.00 0.00 C ATOM 224 CG GLN A 11 13.128 6.468 -13.901 1.00 0.00 C ATOM 225 CD GLN A 11 13.145 5.745 -15.240 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.836 6.148 -16.177 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.382 4.663 -15.329 1.00 0.00 N ATOM 0 H GLN A 11 10.570 5.023 -11.223 1.00 0.00 H new ATOM 0 HA GLN A 11 12.947 6.535 -11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.445 4.803 -12.756 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.162 5.794 -13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.867 7.515 -14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.126 6.449 -13.464 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.825 4.364 -14.528 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.352 4.130 -16.198 1.00 0.00 H new ATOM 236 N HIS A 12 10.226 8.171 -11.856 1.00 0.00 N ATOM 237 CA HIS A 12 9.659 9.500 -12.009 1.00 0.00 C ATOM 238 C HIS A 12 9.502 10.151 -10.648 1.00 0.00 C ATOM 239 O HIS A 12 8.513 10.819 -10.381 1.00 0.00 O ATOM 240 CB HIS A 12 8.310 9.456 -12.738 1.00 0.00 C ATOM 241 CG HIS A 12 8.433 9.355 -14.226 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.979 10.346 -15.015 1.00 0.00 N ATOM 243 CD2 HIS A 12 8.062 8.366 -15.071 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.940 9.970 -16.281 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.392 8.770 -16.340 1.00 0.00 N ATOM 0 H HIS A 12 9.535 7.423 -11.801 1.00 0.00 H new ATOM 0 HA HIS A 12 10.342 10.093 -12.617 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.736 8.605 -12.371 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.743 10.353 -12.489 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.354 11.231 -14.674 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.593 7.432 -14.798 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.295 10.545 -17.123 1.00 0.00 H new ATOM 254 N ARG A 13 10.510 9.948 -9.798 1.00 0.00 N ATOM 255 CA ARG A 13 10.534 10.519 -8.447 1.00 0.00 C ATOM 256 C ARG A 13 10.387 12.030 -8.514 1.00 0.00 C ATOM 257 O ARG A 13 9.934 12.662 -7.560 1.00 0.00 O ATOM 258 CB ARG A 13 11.811 10.155 -7.685 1.00 0.00 C ATOM 259 CG ARG A 13 13.074 10.765 -8.256 1.00 0.00 C ATOM 260 CD ARG A 13 13.783 9.793 -9.180 1.00 0.00 C ATOM 261 NE ARG A 13 15.106 9.441 -8.664 1.00 0.00 N ATOM 262 CZ ARG A 13 16.135 10.284 -8.607 1.00 0.00 C ATOM 263 NH1 ARG A 13 16.078 11.452 -9.231 1.00 0.00 N ATOM 264 NH2 ARG A 13 17.236 9.935 -7.962 1.00 0.00 N ATOM 0 H ARG A 13 11.330 9.386 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 13 9.693 10.091 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.704 10.474 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.918 9.070 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.827 11.675 -8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.742 11.052 -7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.182 8.891 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.882 10.236 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 13 15.249 8.489 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.243 11.709 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.869 12.094 -9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.295 9.022 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.026 10.578 -7.916 1.00 0.00 H new ATOM 278 N GLU A 14 10.736 12.590 -9.674 1.00 0.00 N ATOM 279 CA GLU A 14 10.609 14.018 -9.926 1.00 0.00 C ATOM 280 C GLU A 14 9.160 14.436 -9.688 1.00 0.00 C ATOM 281 O GLU A 14 8.869 15.586 -9.362 1.00 0.00 O ATOM 282 CB GLU A 14 11.024 14.317 -11.371 1.00 0.00 C ATOM 283 CG GLU A 14 10.195 13.550 -12.396 1.00 0.00 C ATOM 284 CD GLU A 14 10.900 13.358 -13.726 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.067 13.784 -13.863 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.290 12.761 -14.638 1.00 0.00 O ATOM 0 H GLU A 14 11.114 12.063 -10.461 1.00 0.00 H new ATOM 0 HA GLU A 14 11.257 14.580 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.926 15.386 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.077 14.066 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.938 12.573 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.258 14.081 -12.564 1.00 0.00 H new ATOM 293 N ALA A 15 8.260 13.463 -9.837 1.00 0.00 N ATOM 294 CA ALA A 15 6.847 13.680 -9.622 1.00 0.00 C ATOM 295 C ALA A 15 6.327 12.731 -8.536 1.00 0.00 C ATOM 296 O ALA A 15 5.256 12.950 -7.978 1.00 0.00 O ATOM 297 CB ALA A 15 6.082 13.501 -10.926 1.00 0.00 C ATOM 0 H ALA A 15 8.499 12.509 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 15 6.690 14.703 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.019 13.667 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.445 14.219 -11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.234 12.489 -11.301 1.00 0.00 H new ATOM 303 N LEU A 16 7.108 11.676 -8.240 1.00 0.00 N ATOM 304 CA LEU A 16 6.742 10.687 -7.212 1.00 0.00 C ATOM 305 C LEU A 16 6.495 11.362 -5.861 1.00 0.00 C ATOM 306 O LEU A 16 5.374 11.712 -5.542 1.00 0.00 O ATOM 307 CB LEU A 16 7.833 9.622 -7.056 1.00 0.00 C ATOM 308 CG LEU A 16 7.483 8.471 -6.104 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.560 7.142 -6.830 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.401 8.466 -4.892 1.00 0.00 C ATOM 0 H LEU A 16 7.999 11.487 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 16 5.821 10.206 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.057 9.206 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.743 10.105 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 16 6.462 8.621 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.309 6.336 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.856 7.141 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.571 6.993 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.131 7.640 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.434 8.347 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.297 9.408 -4.353 1.00 0.00 H new ATOM 322 N GLU A 17 7.540 11.540 -5.064 1.00 0.00 N ATOM 323 CA GLU A 17 7.399 12.153 -3.741 1.00 0.00 C ATOM 324 C GLU A 17 6.772 13.554 -3.829 1.00 0.00 C ATOM 325 O GLU A 17 6.196 14.059 -2.860 1.00 0.00 O ATOM 326 CB GLU A 17 8.764 12.217 -3.047 1.00 0.00 C ATOM 327 CG GLU A 17 8.710 12.754 -1.626 1.00 0.00 C ATOM 328 CD GLU A 17 10.073 12.774 -0.968 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.997 13.396 -1.527 1.00 0.00 O ATOM 330 OE2 GLU A 17 10.227 12.172 0.115 1.00 0.00 O ATOM 0 H GLU A 17 8.494 11.271 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 17 6.726 11.531 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.199 11.218 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.431 12.846 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.299 13.764 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.032 12.140 -1.033 1.00 0.00 H new ATOM 337 N LYS A 18 6.885 14.166 -4.998 1.00 0.00 N ATOM 338 CA LYS A 18 6.344 15.497 -5.241 1.00 0.00 C ATOM 339 C LYS A 18 4.812 15.524 -5.278 1.00 0.00 C ATOM 340 O LYS A 18 4.195 16.367 -4.633 1.00 0.00 O ATOM 341 CB LYS A 18 6.878 16.043 -6.565 1.00 0.00 C ATOM 342 CG LYS A 18 8.169 16.838 -6.450 1.00 0.00 C ATOM 343 CD LYS A 18 9.300 16.041 -5.816 1.00 0.00 C ATOM 344 CE LYS A 18 10.634 16.745 -5.987 1.00 0.00 C ATOM 345 NZ LYS A 18 10.553 18.184 -5.623 1.00 0.00 N ATOM 0 H LYS A 18 7.354 13.755 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 18 6.666 16.119 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.041 15.209 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.115 16.678 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.476 17.169 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.986 17.735 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.096 15.897 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.348 15.051 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.385 16.255 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.964 16.650 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.513 18.571 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.046 18.703 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.043 18.286 -4.722 1.00 0.00 H new ATOM 359 N ASP A 19 4.213 14.640 -6.068 1.00 0.00 N ATOM 360 CA ASP A 19 2.755 14.622 -6.218 1.00 0.00 C ATOM 361 C ASP A 19 2.106 13.413 -5.545 1.00 0.00 C ATOM 362 O ASP A 19 0.980 13.502 -5.051 1.00 0.00 O ATOM 363 CB ASP A 19 2.388 14.652 -7.704 1.00 0.00 C ATOM 364 CG ASP A 19 0.923 14.960 -7.932 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.457 16.021 -7.459 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.237 14.160 -8.595 1.00 0.00 O ATOM 0 H ASP A 19 4.705 13.931 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 19 2.369 15.510 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.997 15.401 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.628 13.689 -8.154 1.00 0.00 H new ATOM 371 N ILE A 20 2.824 12.292 -5.518 1.00 0.00 N ATOM 372 CA ILE A 20 2.330 11.062 -4.895 1.00 0.00 C ATOM 373 C ILE A 20 2.001 11.293 -3.422 1.00 0.00 C ATOM 374 O ILE A 20 2.880 11.599 -2.609 1.00 0.00 O ATOM 375 CB ILE A 20 3.367 9.900 -5.023 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.271 9.199 -6.379 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.233 8.875 -3.907 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.182 7.986 -6.482 1.00 0.00 C ATOM 0 H ILE A 20 3.756 12.209 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 20 1.421 10.776 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 20 4.348 10.368 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.240 8.889 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.526 9.907 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.976 8.090 -4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.392 9.362 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.235 8.438 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.071 7.530 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.217 8.296 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.912 7.262 -5.714 1.00 0.00 H new ATOM 390 N LYS A 21 0.740 11.123 -3.081 1.00 0.00 N ATOM 391 CA LYS A 21 0.303 11.277 -1.705 1.00 0.00 C ATOM 392 C LYS A 21 -0.067 9.912 -1.148 1.00 0.00 C ATOM 393 O LYS A 21 -0.144 8.939 -1.898 1.00 0.00 O ATOM 394 CB LYS A 21 -0.840 12.281 -1.584 1.00 0.00 C ATOM 395 CG LYS A 21 -0.346 13.689 -1.254 1.00 0.00 C ATOM 396 CD LYS A 21 -0.677 14.692 -2.346 1.00 0.00 C ATOM 397 CE LYS A 21 -1.896 15.527 -1.999 1.00 0.00 C ATOM 398 NZ LYS A 21 -2.228 16.501 -3.084 1.00 0.00 N ATOM 0 H LYS A 21 -0.002 10.878 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 21 1.120 11.686 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.399 12.305 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.530 11.950 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.794 14.017 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.733 13.666 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.178 15.348 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.854 14.163 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.749 14.871 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.715 16.066 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.690 17.336 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.355 16.792 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.870 16.053 -3.768 1.00 0.00 H new ATOM 412 N THR A 22 -0.229 9.816 0.157 1.00 0.00 N ATOM 413 CA THR A 22 -0.504 8.529 0.776 1.00 0.00 C ATOM 414 C THR A 22 -1.815 8.474 1.573 1.00 0.00 C ATOM 415 O THR A 22 -2.345 7.395 1.801 1.00 0.00 O ATOM 416 CB THR A 22 0.686 8.137 1.677 1.00 0.00 C ATOM 417 OG1 THR A 22 0.384 6.975 2.449 1.00 0.00 O ATOM 418 CG2 THR A 22 1.056 9.288 2.591 1.00 0.00 C ATOM 0 H THR A 22 -0.176 10.602 0.805 1.00 0.00 H new ATOM 0 HA THR A 22 -0.632 7.815 -0.037 1.00 0.00 H new ATOM 0 HB THR A 22 1.535 7.908 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.446 7.191 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.897 8.997 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.335 10.154 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.203 9.542 3.220 1.00 0.00 H new ATOM 426 N SER A 23 -2.318 9.614 2.017 1.00 0.00 N ATOM 427 CA SER A 23 -3.549 9.651 2.811 1.00 0.00 C ATOM 428 C SER A 23 -4.745 8.994 2.098 1.00 0.00 C ATOM 429 O SER A 23 -5.129 7.869 2.410 1.00 0.00 O ATOM 430 CB SER A 23 -3.878 11.100 3.169 1.00 0.00 C ATOM 431 OG SER A 23 -3.896 11.909 2.006 1.00 0.00 O ATOM 0 H SER A 23 -1.899 10.528 1.845 1.00 0.00 H new ATOM 0 HA SER A 23 -3.371 9.069 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.847 11.147 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.140 11.483 3.874 1.00 0.00 H new ATOM 0 HG SER A 23 -4.110 12.833 2.253 1.00 0.00 H new ATOM 437 N TYR A 24 -5.332 9.717 1.161 1.00 0.00 N ATOM 438 CA TYR A 24 -6.494 9.246 0.414 1.00 0.00 C ATOM 439 C TYR A 24 -6.193 8.028 -0.454 1.00 0.00 C ATOM 440 O TYR A 24 -6.958 7.067 -0.466 1.00 0.00 O ATOM 441 CB TYR A 24 -7.021 10.366 -0.467 1.00 0.00 C ATOM 442 CG TYR A 24 -7.727 11.469 0.298 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.042 12.249 1.219 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.080 11.719 0.107 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.679 13.253 1.920 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.726 12.721 0.807 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.022 13.483 1.714 1.00 0.00 C ATOM 448 OH TYR A 24 -9.658 14.480 2.415 1.00 0.00 O ATOM 0 H TYR A 24 -5.019 10.650 0.893 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.240 8.944 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.190 10.798 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.711 9.946 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.991 12.067 1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.636 11.121 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.127 13.855 2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.777 12.906 0.644 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.602 14.513 2.153 1.00 0.00 H new ATOM 458 N ILE A 25 -5.099 8.086 -1.201 1.00 0.00 N ATOM 459 CA ILE A 25 -4.710 7.004 -2.097 1.00 0.00 C ATOM 460 C ILE A 25 -4.656 5.661 -1.373 1.00 0.00 C ATOM 461 O ILE A 25 -5.200 4.667 -1.855 1.00 0.00 O ATOM 462 CB ILE A 25 -3.364 7.326 -2.774 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.532 8.595 -3.608 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.880 6.164 -3.633 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.289 9.007 -4.358 1.00 0.00 C ATOM 0 H ILE A 25 -4.459 8.880 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.474 6.919 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.604 7.487 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.341 8.443 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.835 9.411 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.928 6.425 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.750 5.280 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.616 5.955 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.491 9.916 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.482 9.193 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.996 8.210 -5.042 1.00 0.00 H new ATOM 477 N MET A 26 -4.040 5.641 -0.201 1.00 0.00 N ATOM 478 CA MET A 26 -3.970 4.418 0.582 1.00 0.00 C ATOM 479 C MET A 26 -5.332 4.096 1.180 1.00 0.00 C ATOM 480 O MET A 26 -5.647 2.931 1.393 1.00 0.00 O ATOM 481 CB MET A 26 -2.942 4.537 1.707 1.00 0.00 C ATOM 482 CG MET A 26 -2.864 3.298 2.582 1.00 0.00 C ATOM 483 SD MET A 26 -1.998 3.586 4.132 1.00 0.00 S ATOM 484 CE MET A 26 -3.038 4.844 4.858 1.00 0.00 C ATOM 0 H MET A 26 -3.586 6.449 0.225 1.00 0.00 H new ATOM 0 HA MET A 26 -3.663 3.615 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.960 4.730 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.191 5.397 2.328 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.873 2.947 2.796 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.360 2.503 2.033 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.440 5.729 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.834 5.105 4.160 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.475 4.466 5.782 1.00 0.00 H new ATOM 494 N ASP A 27 -6.147 5.119 1.430 1.00 0.00 N ATOM 495 CA ASP A 27 -7.473 4.888 2.003 1.00 0.00 C ATOM 496 C ASP A 27 -8.313 4.112 1.010 1.00 0.00 C ATOM 497 O ASP A 27 -9.118 3.254 1.373 1.00 0.00 O ATOM 498 CB ASP A 27 -8.154 6.212 2.367 1.00 0.00 C ATOM 499 CG ASP A 27 -9.540 6.023 2.958 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.660 5.346 3.999 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.512 6.569 2.397 1.00 0.00 O ATOM 0 H ASP A 27 -5.920 6.097 1.250 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.368 4.310 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.531 6.751 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.227 6.834 1.475 1.00 0.00 H new ATOM 506 N HIS A 28 -8.086 4.403 -0.256 1.00 0.00 N ATOM 507 CA HIS A 28 -8.788 3.733 -1.329 1.00 0.00 C ATOM 508 C HIS A 28 -8.261 2.312 -1.516 1.00 0.00 C ATOM 509 O HIS A 28 -9.003 1.424 -1.898 1.00 0.00 O ATOM 510 CB HIS A 28 -8.650 4.527 -2.627 1.00 0.00 C ATOM 511 CG HIS A 28 -9.277 5.890 -2.574 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.607 6.103 -2.287 1.00 0.00 N ATOM 513 CD2 HIS A 28 -8.747 7.118 -2.793 1.00 0.00 C ATOM 514 CE1 HIS A 28 -10.866 7.396 -2.338 1.00 0.00 C ATOM 515 NE2 HIS A 28 -9.756 8.031 -2.637 1.00 0.00 N ATOM 0 H HIS A 28 -7.415 5.105 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.844 3.673 -1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.592 4.633 -2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.105 3.960 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.719 7.336 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.828 7.854 -2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.661 9.042 -2.737 1.00 0.00 H new ATOM 524 N MET A 29 -6.973 2.113 -1.235 1.00 0.00 N ATOM 525 CA MET A 29 -6.348 0.793 -1.371 1.00 0.00 C ATOM 526 C MET A 29 -6.765 -0.157 -0.246 1.00 0.00 C ATOM 527 O MET A 29 -6.935 -1.355 -0.471 1.00 0.00 O ATOM 528 CB MET A 29 -4.821 0.906 -1.398 1.00 0.00 C ATOM 529 CG MET A 29 -4.268 1.486 -2.687 1.00 0.00 C ATOM 530 SD MET A 29 -2.517 1.118 -2.914 1.00 0.00 S ATOM 531 CE MET A 29 -2.582 -0.601 -3.425 1.00 0.00 C ATOM 0 H MET A 29 -6.341 2.846 -0.912 1.00 0.00 H new ATOM 0 HA MET A 29 -6.697 0.381 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.498 1.528 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.391 -0.083 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.832 1.090 -3.531 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.412 2.566 -2.687 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.579 -1.027 -3.396 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.232 -1.157 -2.750 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.974 -0.664 -4.440 1.00 0.00 H new ATOM 541 N ILE A 30 -6.922 0.366 0.960 1.00 0.00 N ATOM 542 CA ILE A 30 -7.314 -0.467 2.094 1.00 0.00 C ATOM 543 C ILE A 30 -8.785 -0.836 1.987 1.00 0.00 C ATOM 544 O ILE A 30 -9.159 -1.985 2.212 1.00 0.00 O ATOM 545 CB ILE A 30 -7.080 0.237 3.434 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.704 0.899 3.461 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.201 -0.747 4.596 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.410 1.615 4.755 1.00 0.00 C ATOM 0 H ILE A 30 -6.787 1.352 1.181 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.693 -1.362 2.062 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.846 1.005 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.940 0.140 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.634 1.609 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.031 -0.222 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.200 -1.184 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.459 -1.538 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.417 2.062 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.153 2.397 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.448 0.904 5.581 1.00 0.00 H new ATOM 560 N SER A 31 -9.612 0.141 1.607 1.00 0.00 N ATOM 561 CA SER A 31 -11.042 -0.093 1.431 1.00 0.00 C ATOM 562 C SER A 31 -11.250 -1.014 0.239 1.00 0.00 C ATOM 563 O SER A 31 -12.239 -1.740 0.165 1.00 0.00 O ATOM 564 CB SER A 31 -11.787 1.224 1.218 1.00 0.00 C ATOM 565 OG SER A 31 -11.568 2.112 2.299 1.00 0.00 O ATOM 0 H SER A 31 -9.314 1.098 1.416 1.00 0.00 H new ATOM 0 HA SER A 31 -11.441 -0.560 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.455 1.688 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.854 1.029 1.113 1.00 0.00 H new ATOM 0 HG SER A 31 -10.737 2.609 2.151 1.00 0.00 H new ATOM 571 N ASP A 32 -10.276 -0.993 -0.675 1.00 0.00 N ATOM 572 CA ASP A 32 -10.310 -1.847 -1.850 1.00 0.00 C ATOM 573 C ASP A 32 -9.997 -3.275 -1.417 1.00 0.00 C ATOM 574 O ASP A 32 -10.404 -4.243 -2.062 1.00 0.00 O ATOM 575 CB ASP A 32 -9.304 -1.356 -2.896 1.00 0.00 C ATOM 576 CG ASP A 32 -9.424 -2.067 -4.229 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.557 -2.206 -4.740 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.378 -2.453 -4.793 1.00 0.00 O ATOM 0 H ASP A 32 -9.455 -0.390 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.299 -1.815 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.444 -0.286 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.294 -1.493 -2.510 1.00 0.00 H new ATOM 583 N GLY A 33 -9.293 -3.395 -0.286 1.00 0.00 N ATOM 584 CA GLY A 33 -8.967 -4.705 0.246 1.00 0.00 C ATOM 585 C GLY A 33 -7.599 -5.202 -0.162 1.00 0.00 C ATOM 586 O GLY A 33 -7.210 -6.312 0.193 1.00 0.00 O ATOM 0 H GLY A 33 -8.947 -2.609 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.022 -4.670 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.718 -5.421 -0.088 1.00 0.00 H new ATOM 590 N PHE A 34 -6.860 -4.395 -0.909 1.00 0.00 N ATOM 591 CA PHE A 34 -5.536 -4.808 -1.345 1.00 0.00 C ATOM 592 C PHE A 34 -4.492 -4.524 -0.276 1.00 0.00 C ATOM 593 O PHE A 34 -3.533 -5.284 -0.106 1.00 0.00 O ATOM 594 CB PHE A 34 -5.158 -4.145 -2.666 1.00 0.00 C ATOM 595 CG PHE A 34 -5.820 -4.782 -3.850 1.00 0.00 C ATOM 596 CD1 PHE A 34 -7.186 -5.017 -3.864 1.00 0.00 C ATOM 597 CD2 PHE A 34 -5.076 -5.146 -4.954 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.793 -5.598 -4.956 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.680 -5.727 -6.050 1.00 0.00 C ATOM 600 CZ PHE A 34 -7.037 -5.954 -6.051 1.00 0.00 C ATOM 0 H PHE A 34 -7.148 -3.467 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.564 -5.885 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.430 -3.090 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.076 -4.191 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.783 -4.741 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.010 -4.974 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.859 -5.774 -4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.087 -6.004 -6.909 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.509 -6.410 -6.909 1.00 0.00 H new ATOM 610 N LEU A 35 -4.696 -3.456 0.472 1.00 0.00 N ATOM 611 CA LEU A 35 -3.783 -3.120 1.554 1.00 0.00 C ATOM 612 C LEU A 35 -4.367 -3.662 2.855 1.00 0.00 C ATOM 613 O LEU A 35 -5.544 -3.450 3.149 1.00 0.00 O ATOM 614 CB LEU A 35 -3.528 -1.608 1.615 1.00 0.00 C ATOM 615 CG LEU A 35 -2.102 -1.184 1.247 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.674 -1.776 -0.097 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.986 0.335 1.251 1.00 0.00 C ATOM 0 H LEU A 35 -5.477 -2.810 0.354 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.810 -3.580 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.226 -1.108 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.748 -1.256 2.623 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.421 -1.579 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.658 -1.456 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.708 -2.864 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.350 -1.430 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.968 0.623 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.681 0.755 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.226 0.716 2.244 1.00 0.00 H new ATOM 629 N THR A 36 -3.565 -4.408 3.601 1.00 0.00 N ATOM 630 CA THR A 36 -4.036 -5.025 4.836 1.00 0.00 C ATOM 631 C THR A 36 -3.791 -4.143 6.044 1.00 0.00 C ATOM 632 O THR A 36 -3.191 -3.078 5.935 1.00 0.00 O ATOM 633 CB THR A 36 -3.376 -6.396 5.058 1.00 0.00 C ATOM 634 OG1 THR A 36 -1.969 -6.314 4.802 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.008 -7.433 4.153 1.00 0.00 C ATOM 0 H THR A 36 -2.589 -4.601 3.376 1.00 0.00 H new ATOM 0 HA THR A 36 -5.112 -5.158 4.724 1.00 0.00 H new ATOM 0 HB THR A 36 -3.529 -6.694 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.558 -7.192 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.532 -8.400 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.072 -7.509 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.875 -7.137 3.112 1.00 0.00 H new ATOM 643 N ILE A 37 -4.260 -4.601 7.195 1.00 0.00 N ATOM 644 CA ILE A 37 -4.096 -3.866 8.437 1.00 0.00 C ATOM 645 C ILE A 37 -2.614 -3.652 8.737 1.00 0.00 C ATOM 646 O ILE A 37 -2.222 -2.593 9.212 1.00 0.00 O ATOM 647 CB ILE A 37 -4.751 -4.617 9.620 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.229 -4.888 9.339 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.596 -3.841 10.923 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.056 -3.636 9.124 1.00 0.00 C ATOM 0 H ILE A 37 -4.760 -5.484 7.293 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.588 -2.901 8.317 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.235 -5.571 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.310 -5.521 8.455 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.650 -5.450 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.067 -4.395 11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.537 -3.706 11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.073 -2.866 10.825 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.092 -3.913 8.931 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.008 -3.011 10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.663 -3.083 8.271 1.00 0.00 H new ATOM 662 N SER A 38 -1.804 -4.661 8.440 1.00 0.00 N ATOM 663 CA SER A 38 -0.364 -4.582 8.666 1.00 0.00 C ATOM 664 C SER A 38 0.263 -3.536 7.752 1.00 0.00 C ATOM 665 O SER A 38 1.207 -2.841 8.139 1.00 0.00 O ATOM 666 CB SER A 38 0.285 -5.955 8.441 1.00 0.00 C ATOM 667 OG SER A 38 1.695 -5.904 8.600 1.00 0.00 O ATOM 0 H SER A 38 -2.119 -5.545 8.041 1.00 0.00 H new ATOM 0 HA SER A 38 -0.189 -4.282 9.699 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.134 -6.675 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.045 -6.311 7.439 1.00 0.00 H new ATOM 0 HG SER A 38 2.073 -6.796 8.451 1.00 0.00 H new ATOM 673 N GLU A 39 -0.287 -3.410 6.551 1.00 0.00 N ATOM 674 CA GLU A 39 0.190 -2.429 5.587 1.00 0.00 C ATOM 675 C GLU A 39 -0.296 -1.034 5.982 1.00 0.00 C ATOM 676 O GLU A 39 0.467 -0.072 5.958 1.00 0.00 O ATOM 677 CB GLU A 39 -0.245 -2.811 4.170 1.00 0.00 C ATOM 678 CG GLU A 39 0.618 -3.919 3.583 1.00 0.00 C ATOM 679 CD GLU A 39 0.087 -4.492 2.286 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.102 -4.298 1.981 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.858 -5.180 1.582 1.00 0.00 O ATOM 0 H GLU A 39 -1.067 -3.978 6.221 1.00 0.00 H new ATOM 0 HA GLU A 39 1.280 -2.416 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.286 -3.133 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.193 -1.933 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.622 -3.531 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.706 -4.723 4.314 1.00 0.00 H new ATOM 688 N GLU A 40 -1.561 -0.954 6.389 1.00 0.00 N ATOM 689 CA GLU A 40 -2.170 0.296 6.841 1.00 0.00 C ATOM 690 C GLU A 40 -1.446 0.842 8.068 1.00 0.00 C ATOM 691 O GLU A 40 -1.109 2.024 8.140 1.00 0.00 O ATOM 692 CB GLU A 40 -3.638 0.055 7.216 1.00 0.00 C ATOM 693 CG GLU A 40 -4.294 1.240 7.911 1.00 0.00 C ATOM 694 CD GLU A 40 -5.589 0.871 8.602 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.557 0.012 9.505 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.638 1.449 8.259 1.00 0.00 O ATOM 0 H GLU A 40 -2.193 -1.754 6.415 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.098 1.017 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.200 -0.182 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.699 -0.817 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.602 1.654 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.489 2.023 7.178 1.00 0.00 H new ATOM 703 N GLU A 41 -1.250 -0.044 9.037 1.00 0.00 N ATOM 704 CA GLU A 41 -0.612 0.286 10.301 1.00 0.00 C ATOM 705 C GLU A 41 0.721 1.006 10.124 1.00 0.00 C ATOM 706 O GLU A 41 0.910 2.087 10.667 1.00 0.00 O ATOM 707 CB GLU A 41 -0.406 -0.994 11.110 1.00 0.00 C ATOM 708 CG GLU A 41 0.153 -0.768 12.505 1.00 0.00 C ATOM 709 CD GLU A 41 0.348 -2.058 13.268 1.00 0.00 C ATOM 710 OE1 GLU A 41 1.157 -2.905 12.825 1.00 0.00 O ATOM 711 OE2 GLU A 41 -0.305 -2.236 14.316 1.00 0.00 O ATOM 0 H GLU A 41 -1.533 -1.021 8.964 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.273 0.973 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.360 -1.515 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.269 -1.651 10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.107 -0.246 12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.522 -0.119 13.062 1.00 0.00 H new ATOM 718 N LYS A 42 1.650 0.392 9.405 1.00 0.00 N ATOM 719 CA LYS A 42 2.977 0.978 9.221 1.00 0.00 C ATOM 720 C LYS A 42 2.952 2.305 8.440 1.00 0.00 C ATOM 721 O LYS A 42 3.598 3.270 8.856 1.00 0.00 O ATOM 722 CB LYS A 42 3.916 -0.030 8.555 1.00 0.00 C ATOM 723 CG LYS A 42 5.377 0.395 8.573 1.00 0.00 C ATOM 724 CD LYS A 42 6.310 -0.801 8.453 1.00 0.00 C ATOM 725 CE LYS A 42 6.324 -1.633 9.729 1.00 0.00 C ATOM 726 NZ LYS A 42 6.943 -0.900 10.874 1.00 0.00 N ATOM 0 H LYS A 42 1.514 -0.506 8.941 1.00 0.00 H new ATOM 0 HA LYS A 42 3.354 1.219 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.820 -0.992 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.602 -0.179 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.565 1.088 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.589 0.931 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.997 -1.424 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.320 -0.455 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.303 -1.914 9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.874 -2.557 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.164 -1.571 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.818 -0.436 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.279 -0.181 11.226 1.00 0.00 H new ATOM 740 N VAL A 43 2.225 2.365 7.326 1.00 0.00 N ATOM 741 CA VAL A 43 2.161 3.600 6.533 1.00 0.00 C ATOM 742 C VAL A 43 1.617 4.753 7.381 1.00 0.00 C ATOM 743 O VAL A 43 2.113 5.879 7.322 1.00 0.00 O ATOM 744 CB VAL A 43 1.260 3.433 5.288 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.199 4.729 4.488 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.743 2.287 4.407 1.00 0.00 C ATOM 0 H VAL A 43 1.679 1.589 6.953 1.00 0.00 H new ATOM 0 HA VAL A 43 3.177 3.822 6.206 1.00 0.00 H new ATOM 0 HB VAL A 43 0.255 3.192 5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.560 4.589 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.791 5.524 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.202 5.003 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.089 2.194 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.761 2.488 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.724 1.358 4.976 1.00 0.00 H new ATOM 756 N ARG A 44 0.588 4.467 8.172 1.00 0.00 N ATOM 757 CA ARG A 44 -0.022 5.487 9.026 1.00 0.00 C ATOM 758 C ARG A 44 0.803 5.739 10.289 1.00 0.00 C ATOM 759 O ARG A 44 0.757 6.829 10.864 1.00 0.00 O ATOM 760 CB ARG A 44 -1.452 5.085 9.407 1.00 0.00 C ATOM 761 CG ARG A 44 -2.416 5.127 8.232 1.00 0.00 C ATOM 762 CD ARG A 44 -3.854 4.849 8.644 1.00 0.00 C ATOM 763 NE ARG A 44 -4.331 5.791 9.657 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.617 6.045 9.877 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.544 5.517 9.095 1.00 0.00 N ATOM 766 NH2 ARG A 44 -5.974 6.849 10.866 1.00 0.00 N ATOM 0 H ARG A 44 0.159 3.544 8.241 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.050 6.414 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.441 4.078 9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.814 5.751 10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.361 6.106 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.107 4.394 7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.499 4.904 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.929 3.833 9.031 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.639 6.279 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.273 4.912 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.530 5.715 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.262 7.274 11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.961 7.043 11.034 1.00 0.00 H new ATOM 780 N ASN A 45 1.554 4.719 10.707 1.00 0.00 N ATOM 781 CA ASN A 45 2.398 4.799 11.900 1.00 0.00 C ATOM 782 C ASN A 45 3.463 5.878 11.748 1.00 0.00 C ATOM 783 O ASN A 45 3.850 6.526 12.723 1.00 0.00 O ATOM 784 CB ASN A 45 3.039 3.425 12.174 1.00 0.00 C ATOM 785 CG ASN A 45 4.557 3.450 12.260 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.130 3.738 13.306 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.210 3.155 11.147 1.00 0.00 N ATOM 0 H ASN A 45 1.594 3.818 10.231 1.00 0.00 H new ATOM 0 HA ASN A 45 1.776 5.074 12.752 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.640 3.031 13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.743 2.735 11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.230 3.162 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.693 2.921 10.299 1.00 0.00 H new ATOM 794 N GLU A 46 3.929 6.072 10.523 1.00 0.00 N ATOM 795 CA GLU A 46 4.942 7.081 10.256 1.00 0.00 C ATOM 796 C GLU A 46 4.408 8.485 10.590 1.00 0.00 C ATOM 797 O GLU A 46 3.210 8.743 10.489 1.00 0.00 O ATOM 798 CB GLU A 46 5.411 6.974 8.812 1.00 0.00 C ATOM 799 CG GLU A 46 5.993 5.593 8.489 1.00 0.00 C ATOM 800 CD GLU A 46 7.203 5.236 9.349 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.693 6.106 10.099 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.685 4.086 9.260 1.00 0.00 O ATOM 0 H GLU A 46 3.624 5.547 9.703 1.00 0.00 H new ATOM 0 HA GLU A 46 5.805 6.907 10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.574 7.178 8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.165 7.737 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.220 4.838 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.280 5.563 7.438 1.00 0.00 H new ATOM 809 N PRO A 47 5.281 9.393 11.062 1.00 0.00 N ATOM 810 CA PRO A 47 4.869 10.738 11.489 1.00 0.00 C ATOM 811 C PRO A 47 4.676 11.769 10.375 1.00 0.00 C ATOM 812 O PRO A 47 3.829 12.658 10.504 1.00 0.00 O ATOM 813 CB PRO A 47 6.012 11.164 12.409 1.00 0.00 C ATOM 814 CG PRO A 47 7.213 10.459 11.878 1.00 0.00 C ATOM 815 CD PRO A 47 6.723 9.161 11.286 1.00 0.00 C ATOM 0 HA PRO A 47 3.880 10.697 11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.149 12.245 12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.813 10.882 13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.715 11.064 11.123 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.937 10.274 12.672 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.239 8.927 10.355 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.892 8.324 11.963 1.00 0.00 H new ATOM 823 N THR A 48 5.446 11.698 9.302 1.00 0.00 N ATOM 824 CA THR A 48 5.310 12.677 8.244 1.00 0.00 C ATOM 825 C THR A 48 5.267 11.997 6.896 1.00 0.00 C ATOM 826 O THR A 48 5.518 10.796 6.810 1.00 0.00 O ATOM 827 CB THR A 48 6.494 13.662 8.266 1.00 0.00 C ATOM 828 OG1 THR A 48 7.725 12.925 8.282 1.00 0.00 O ATOM 829 CG2 THR A 48 6.430 14.579 9.479 1.00 0.00 C ATOM 0 H THR A 48 6.159 10.985 9.144 1.00 0.00 H new ATOM 0 HA THR A 48 4.379 13.220 8.409 1.00 0.00 H new ATOM 0 HB THR A 48 6.441 14.282 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.480 13.550 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.280 15.262 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.503 15.152 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.461 13.981 10.390 1.00 0.00 H new ATOM 837 N GLN A 49 5.001 12.766 5.843 1.00 0.00 N ATOM 838 CA GLN A 49 4.975 12.249 4.486 1.00 0.00 C ATOM 839 C GLN A 49 6.306 11.576 4.160 1.00 0.00 C ATOM 840 O GLN A 49 6.384 10.732 3.271 1.00 0.00 O ATOM 841 CB GLN A 49 4.694 13.382 3.500 1.00 0.00 C ATOM 842 CG GLN A 49 5.050 13.037 2.065 1.00 0.00 C ATOM 843 CD GLN A 49 4.230 13.795 1.051 1.00 0.00 C ATOM 844 OE1 GLN A 49 4.251 15.024 0.996 1.00 0.00 O ATOM 845 NE2 GLN A 49 3.504 13.061 0.234 1.00 0.00 N ATOM 0 H GLN A 49 4.798 13.763 5.911 1.00 0.00 H new ATOM 0 HA GLN A 49 4.179 11.509 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.637 13.644 3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.256 14.265 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.107 13.247 1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.910 11.967 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.516 12.044 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.929 13.509 -0.480 1.00 0.00 H new ATOM 854 N GLN A 50 7.333 11.945 4.926 1.00 0.00 N ATOM 855 CA GLN A 50 8.666 11.384 4.782 1.00 0.00 C ATOM 856 C GLN A 50 8.586 9.872 4.679 1.00 0.00 C ATOM 857 O GLN A 50 8.733 9.303 3.602 1.00 0.00 O ATOM 858 CB GLN A 50 9.526 11.757 5.991 1.00 0.00 C ATOM 859 CG GLN A 50 10.991 11.382 5.836 1.00 0.00 C ATOM 860 CD GLN A 50 11.533 10.596 7.020 1.00 0.00 C ATOM 861 OE1 GLN A 50 12.646 10.068 6.966 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.759 10.504 8.095 1.00 0.00 N ATOM 0 H GLN A 50 7.258 12.644 5.665 1.00 0.00 H new ATOM 0 HA GLN A 50 9.116 11.788 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.451 12.831 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.125 11.264 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.115 10.792 4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.581 12.290 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.844 10.954 8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.080 9.984 8.911 1.00 0.00 H new ATOM 871 N GLN A 51 8.319 9.237 5.809 1.00 0.00 N ATOM 872 CA GLN A 51 8.191 7.797 5.858 1.00 0.00 C ATOM 873 C GLN A 51 6.761 7.359 5.564 1.00 0.00 C ATOM 874 O GLN A 51 6.521 6.190 5.326 1.00 0.00 O ATOM 875 CB GLN A 51 8.648 7.259 7.210 1.00 0.00 C ATOM 876 CG GLN A 51 10.161 7.244 7.375 1.00 0.00 C ATOM 877 CD GLN A 51 10.847 6.385 6.330 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.581 5.186 6.214 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.738 6.992 5.564 1.00 0.00 N ATOM 0 H GLN A 51 8.187 9.703 6.707 1.00 0.00 H new ATOM 0 HA GLN A 51 8.836 7.380 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.210 7.867 8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.266 6.246 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.541 8.264 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.412 6.873 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.929 7.986 5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.235 6.466 4.845 1.00 0.00 H new ATOM 888 N ARG A 52 5.815 8.294 5.565 1.00 0.00 N ATOM 889 CA ARG A 52 4.420 7.948 5.275 1.00 0.00 C ATOM 890 C ARG A 52 4.281 7.630 3.790 1.00 0.00 C ATOM 891 O ARG A 52 3.900 6.521 3.418 1.00 0.00 O ATOM 892 CB ARG A 52 3.461 9.074 5.672 1.00 0.00 C ATOM 893 CG ARG A 52 2.016 8.613 5.807 1.00 0.00 C ATOM 894 CD ARG A 52 1.050 9.779 5.995 1.00 0.00 C ATOM 895 NE ARG A 52 1.306 10.543 7.217 1.00 0.00 N ATOM 896 CZ ARG A 52 1.103 10.087 8.453 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.642 8.862 8.650 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.343 10.865 9.490 1.00 0.00 N ATOM 0 H ARG A 52 5.980 9.282 5.759 1.00 0.00 H new ATOM 0 HA ARG A 52 4.152 7.073 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.788 9.504 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.514 9.867 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.733 8.049 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.932 7.934 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.122 10.445 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.029 9.398 6.019 1.00 0.00 H new ATOM 0 HE ARG A 52 1.665 11.492 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.439 8.259 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.490 8.521 9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.684 11.816 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.188 10.516 10.436 1.00 0.00 H new ATOM 912 N ALA A 53 4.636 8.595 2.945 1.00 0.00 N ATOM 913 CA ALA A 53 4.591 8.392 1.500 1.00 0.00 C ATOM 914 C ALA A 53 5.633 7.365 1.103 1.00 0.00 C ATOM 915 O ALA A 53 5.380 6.513 0.257 1.00 0.00 O ATOM 916 CB ALA A 53 4.818 9.703 0.763 1.00 0.00 C ATOM 0 H ALA A 53 4.956 9.519 3.234 1.00 0.00 H new ATOM 0 HA ALA A 53 3.603 8.024 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.780 9.527 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.042 10.416 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.795 10.106 1.031 1.00 0.00 H new ATOM 922 N ALA A 54 6.805 7.426 1.734 1.00 0.00 N ATOM 923 CA ALA A 54 7.858 6.474 1.434 1.00 0.00 C ATOM 924 C ALA A 54 7.436 5.061 1.790 1.00 0.00 C ATOM 925 O ALA A 54 7.801 4.131 1.102 1.00 0.00 O ATOM 926 CB ALA A 54 9.151 6.825 2.148 1.00 0.00 C ATOM 0 H ALA A 54 7.042 8.117 2.446 1.00 0.00 H new ATOM 0 HA ALA A 54 8.037 6.526 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.916 6.089 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.483 7.814 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.984 6.824 3.225 1.00 0.00 H new ATOM 932 N MET A 55 6.654 4.894 2.860 1.00 0.00 N ATOM 933 CA MET A 55 6.205 3.573 3.260 1.00 0.00 C ATOM 934 C MET A 55 5.229 3.017 2.234 1.00 0.00 C ATOM 935 O MET A 55 5.341 1.864 1.821 1.00 0.00 O ATOM 936 CB MET A 55 5.562 3.633 4.643 1.00 0.00 C ATOM 937 CG MET A 55 5.060 2.286 5.127 1.00 0.00 C ATOM 938 SD MET A 55 6.304 0.985 4.999 1.00 0.00 S ATOM 939 CE MET A 55 5.265 -0.472 5.065 1.00 0.00 C ATOM 0 H MET A 55 6.325 5.654 3.455 1.00 0.00 H new ATOM 0 HA MET A 55 7.066 2.906 3.310 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.288 4.021 5.358 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.730 4.337 4.620 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.740 2.375 6.165 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.183 2.001 4.546 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.806 -1.324 4.652 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.996 -0.681 6.101 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.360 -0.300 4.483 1.00 0.00 H new ATOM 949 N LEU A 56 4.293 3.851 1.805 1.00 0.00 N ATOM 950 CA LEU A 56 3.314 3.448 0.809 1.00 0.00 C ATOM 951 C LEU A 56 4.018 3.006 -0.477 1.00 0.00 C ATOM 952 O LEU A 56 3.804 1.898 -0.989 1.00 0.00 O ATOM 953 CB LEU A 56 2.383 4.622 0.506 1.00 0.00 C ATOM 954 CG LEU A 56 1.163 4.282 -0.346 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.173 3.456 0.449 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.500 5.548 -0.844 1.00 0.00 C ATOM 0 H LEU A 56 4.192 4.812 2.132 1.00 0.00 H new ATOM 0 HA LEU A 56 2.734 2.611 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.040 5.046 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.956 5.398 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 56 1.496 3.697 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.690 3.223 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.648 2.530 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.152 4.020 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.368 5.290 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.182 6.151 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.208 6.116 -1.448 1.00 0.00 H new ATOM 968 N ILE A 57 4.865 3.895 -0.982 1.00 0.00 N ATOM 969 CA ILE A 57 5.626 3.663 -2.204 1.00 0.00 C ATOM 970 C ILE A 57 6.687 2.566 -1.996 1.00 0.00 C ATOM 971 O ILE A 57 7.156 1.952 -2.955 1.00 0.00 O ATOM 972 CB ILE A 57 6.263 4.998 -2.687 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.189 6.087 -2.681 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.857 4.883 -4.091 1.00 0.00 C ATOM 975 CD1 ILE A 57 3.949 5.707 -3.466 1.00 0.00 C ATOM 0 H ILE A 57 5.044 4.803 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 57 4.950 3.306 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 57 7.077 5.247 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.907 6.304 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.608 7.004 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.289 5.840 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.633 4.118 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.073 4.609 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.227 6.522 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.220 5.518 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.508 4.808 -3.036 1.00 0.00 H new ATOM 987 N LYS A 58 7.032 2.292 -0.734 1.00 0.00 N ATOM 988 CA LYS A 58 8.003 1.244 -0.416 1.00 0.00 C ATOM 989 C LYS A 58 7.320 -0.115 -0.462 1.00 0.00 C ATOM 990 O LYS A 58 7.927 -1.101 -0.884 1.00 0.00 O ATOM 991 CB LYS A 58 8.661 1.466 0.952 1.00 0.00 C ATOM 992 CG LYS A 58 9.758 0.460 1.283 1.00 0.00 C ATOM 993 CD LYS A 58 10.567 0.883 2.505 1.00 0.00 C ATOM 994 CE LYS A 58 9.715 0.926 3.765 1.00 0.00 C ATOM 995 NZ LYS A 58 9.255 -0.414 4.181 1.00 0.00 N ATOM 0 H LYS A 58 6.655 2.779 0.079 1.00 0.00 H new ATOM 0 HA LYS A 58 8.796 1.282 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.082 2.471 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.894 1.419 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.312 -0.518 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.423 0.353 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.394 0.188 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.003 1.866 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.290 1.377 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.850 1.567 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.220 -0.409 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.528 -1.114 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.693 -0.664 5.091 1.00 0.00 H new ATOM 1009 N MET A 59 6.043 -0.171 -0.060 1.00 0.00 N ATOM 1010 CA MET A 59 5.308 -1.428 -0.116 1.00 0.00 C ATOM 1011 C MET A 59 5.296 -1.890 -1.555 1.00 0.00 C ATOM 1012 O MET A 59 5.617 -3.030 -1.868 1.00 0.00 O ATOM 1013 CB MET A 59 3.853 -1.279 0.320 1.00 0.00 C ATOM 1014 CG MET A 59 3.639 -0.576 1.638 1.00 0.00 C ATOM 1015 SD MET A 59 1.888 -0.340 1.981 1.00 0.00 S ATOM 1016 CE MET A 59 1.294 0.177 0.368 1.00 0.00 C ATOM 0 H MET A 59 5.513 0.623 0.299 1.00 0.00 H new ATOM 0 HA MET A 59 5.798 -2.130 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.314 -0.734 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.407 -2.272 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.093 -1.158 2.440 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.142 0.391 1.622 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.279 0.564 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.945 0.957 -0.027 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.296 -0.676 -0.311 1.00 0.00 H new ATOM 1026 N ILE A 60 4.926 -0.951 -2.425 1.00 0.00 N ATOM 1027 CA ILE A 60 4.854 -1.186 -3.864 1.00 0.00 C ATOM 1028 C ILE A 60 6.227 -1.560 -4.432 1.00 0.00 C ATOM 1029 O ILE A 60 6.326 -2.382 -5.339 1.00 0.00 O ATOM 1030 CB ILE A 60 4.307 0.072 -4.577 1.00 0.00 C ATOM 1031 CG1 ILE A 60 3.048 0.575 -3.858 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.984 -0.225 -6.041 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.754 2.028 -4.123 1.00 0.00 C ATOM 0 H ILE A 60 4.667 -0.004 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 60 4.177 -2.022 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 60 5.076 0.844 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.194 -0.025 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.166 0.425 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.601 0.677 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.888 -0.552 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.232 -1.012 -6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.852 2.321 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.592 2.637 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.605 2.180 -5.192 1.00 0.00 H new ATOM 1045 N LEU A 61 7.281 -0.972 -3.865 1.00 0.00 N ATOM 1046 CA LEU A 61 8.654 -1.255 -4.288 1.00 0.00 C ATOM 1047 C LEU A 61 8.954 -2.759 -4.171 1.00 0.00 C ATOM 1048 O LEU A 61 9.793 -3.295 -4.887 1.00 0.00 O ATOM 1049 CB LEU A 61 9.639 -0.420 -3.439 1.00 0.00 C ATOM 1050 CG LEU A 61 11.139 -0.502 -3.799 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.811 -1.692 -3.126 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.338 -0.570 -5.307 1.00 0.00 C ATOM 0 H LEU A 61 7.210 -0.293 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 61 8.774 -0.975 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.335 0.625 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.526 -0.723 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 61 11.609 0.408 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.865 -1.718 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.721 -1.597 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.328 -2.614 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.403 -0.627 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.836 -1.454 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.917 0.322 -5.770 1.00 0.00 H new ATOM 1064 N LYS A 62 8.246 -3.442 -3.280 1.00 0.00 N ATOM 1065 CA LYS A 62 8.437 -4.871 -3.103 1.00 0.00 C ATOM 1066 C LYS A 62 7.085 -5.575 -2.942 1.00 0.00 C ATOM 1067 O LYS A 62 6.935 -6.494 -2.133 1.00 0.00 O ATOM 1068 CB LYS A 62 9.352 -5.137 -1.890 1.00 0.00 C ATOM 1069 CG LYS A 62 9.981 -6.528 -1.892 1.00 0.00 C ATOM 1070 CD LYS A 62 10.822 -6.791 -0.645 1.00 0.00 C ATOM 1071 CE LYS A 62 12.082 -5.943 -0.609 1.00 0.00 C ATOM 1072 NZ LYS A 62 12.970 -6.317 0.525 1.00 0.00 N ATOM 0 H LYS A 62 7.538 -3.029 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 62 8.922 -5.277 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.145 -4.389 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.774 -5.010 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.194 -7.279 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.606 -6.639 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.224 -6.587 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.095 -7.846 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.624 -6.058 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.809 -4.891 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.818 -5.716 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.462 -6.183 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.251 -7.314 0.432 1.00 0.00 H new ATOM 1086 N LYS A 63 6.092 -5.139 -3.718 1.00 0.00 N ATOM 1087 CA LYS A 63 4.771 -5.737 -3.653 1.00 0.00 C ATOM 1088 C LYS A 63 4.530 -6.603 -4.890 1.00 0.00 C ATOM 1089 O LYS A 63 5.419 -7.330 -5.329 1.00 0.00 O ATOM 1090 CB LYS A 63 3.691 -4.655 -3.527 1.00 0.00 C ATOM 1091 CG LYS A 63 2.447 -5.117 -2.785 1.00 0.00 C ATOM 1092 CD LYS A 63 2.691 -5.253 -1.293 1.00 0.00 C ATOM 1093 CE LYS A 63 2.280 -6.627 -0.770 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.846 -6.929 -1.015 1.00 0.00 N ATOM 0 H LYS A 63 6.182 -4.379 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 63 4.715 -6.370 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.112 -3.792 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.405 -4.321 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.638 -4.407 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.120 -6.076 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.747 -5.085 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.133 -4.481 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.894 -7.391 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.480 -6.679 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.540 -7.695 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.276 -6.079 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.717 -7.224 -2.004 1.00 0.00 H new ATOM 1108 N ASP A 64 3.322 -6.529 -5.444 1.00 0.00 N ATOM 1109 CA ASP A 64 2.960 -7.322 -6.618 1.00 0.00 C ATOM 1110 C ASP A 64 2.223 -6.477 -7.637 1.00 0.00 C ATOM 1111 O ASP A 64 1.730 -5.392 -7.320 1.00 0.00 O ATOM 1112 CB ASP A 64 2.047 -8.492 -6.207 1.00 0.00 C ATOM 1113 CG ASP A 64 2.393 -9.094 -4.858 1.00 0.00 C ATOM 1114 OD1 ASP A 64 3.408 -9.805 -4.752 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.646 -8.838 -3.884 1.00 0.00 O ATOM 0 H ASP A 64 2.575 -5.927 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 64 3.883 -7.699 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.014 -8.144 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.105 -9.271 -6.968 1.00 0.00 H new ATOM 1120 N ASN A 65 2.132 -7.007 -8.847 1.00 0.00 N ATOM 1121 CA ASN A 65 1.433 -6.346 -9.943 1.00 0.00 C ATOM 1122 C ASN A 65 -0.012 -6.111 -9.545 1.00 0.00 C ATOM 1123 O ASN A 65 -0.582 -5.065 -9.827 1.00 0.00 O ATOM 1124 CB ASN A 65 1.488 -7.222 -11.197 1.00 0.00 C ATOM 1125 CG ASN A 65 1.129 -6.483 -12.470 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.129 -5.781 -12.549 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.938 -6.666 -13.489 1.00 0.00 N ATOM 0 H ASN A 65 2.540 -7.907 -9.099 1.00 0.00 H new ATOM 0 HA ASN A 65 1.913 -5.391 -10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.492 -7.635 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.808 -8.064 -11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.742 -6.216 -14.383 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.762 -7.258 -13.386 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.581 -7.097 -8.870 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.959 -7.027 -8.405 1.00 0.00 C ATOM 1136 C ASP A 66 -2.202 -5.765 -7.565 1.00 0.00 C ATOM 1137 O ASP A 66 -3.117 -4.986 -7.850 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.288 -8.286 -7.590 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.659 -8.243 -6.949 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.662 -8.172 -7.686 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -3.738 -8.291 -5.704 1.00 0.00 O ATOM 0 H ASP A 66 -0.104 -7.966 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.616 -6.974 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.226 -9.158 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.535 -8.414 -6.813 1.00 0.00 H new ATOM 1146 N SER A 67 -1.366 -5.553 -6.546 1.00 0.00 N ATOM 1147 CA SER A 67 -1.493 -4.370 -5.692 1.00 0.00 C ATOM 1148 C SER A 67 -1.130 -3.122 -6.461 1.00 0.00 C ATOM 1149 O SER A 67 -1.618 -2.039 -6.175 1.00 0.00 O ATOM 1150 CB SER A 67 -0.573 -4.457 -4.483 1.00 0.00 C ATOM 1151 OG SER A 67 -0.193 -5.798 -4.199 1.00 0.00 O ATOM 0 H SER A 67 -0.601 -6.178 -6.294 1.00 0.00 H new ATOM 0 HA SER A 67 -2.530 -4.327 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.319 -3.857 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.074 -4.030 -3.614 1.00 0.00 H new ATOM 0 HG SER A 67 -0.623 -6.091 -3.368 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.260 -3.290 -7.430 1.00 0.00 N ATOM 1158 CA TYR A 68 0.186 -2.192 -8.251 1.00 0.00 C ATOM 1159 C TYR A 68 -0.965 -1.657 -9.078 1.00 0.00 C ATOM 1160 O TYR A 68 -1.168 -0.451 -9.148 1.00 0.00 O ATOM 1161 CB TYR A 68 1.317 -2.665 -9.146 1.00 0.00 C ATOM 1162 CG TYR A 68 1.793 -1.659 -10.147 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.258 -0.411 -9.757 1.00 0.00 C ATOM 1164 CD2 TYR A 68 1.820 -1.988 -11.485 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.728 0.487 -10.688 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.291 -1.106 -12.414 1.00 0.00 C ATOM 1167 CZ TYR A 68 2.747 0.128 -12.019 1.00 0.00 C ATOM 1168 OH TYR A 68 3.229 0.990 -12.963 1.00 0.00 O ATOM 0 H TYR A 68 0.157 -4.190 -7.670 1.00 0.00 H new ATOM 0 HA TYR A 68 0.550 -1.384 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.159 -2.958 -8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.990 -3.558 -9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.251 -0.141 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.464 -2.957 -11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.078 1.461 -10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.305 -1.378 -13.459 1.00 0.00 H new ATOM 0 HH TYR A 68 4.169 1.192 -12.772 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.736 -2.557 -9.680 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.880 -2.135 -10.463 1.00 0.00 C ATOM 1180 C VAL A 69 -3.891 -1.457 -9.529 1.00 0.00 C ATOM 1181 O VAL A 69 -4.581 -0.518 -9.919 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.549 -3.298 -11.225 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.618 -2.774 -12.167 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.521 -4.096 -12.002 1.00 0.00 C ATOM 0 H VAL A 69 -1.589 -3.566 -9.639 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.529 -1.436 -11.222 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.017 -3.955 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.078 -3.609 -12.695 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.379 -2.243 -11.595 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.166 -2.093 -12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.016 -4.910 -12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.023 -3.446 -12.721 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.783 -4.507 -11.313 1.00 0.00 H new ATOM 1194 N SER A 70 -3.927 -1.909 -8.270 1.00 0.00 N ATOM 1195 CA SER A 70 -4.806 -1.301 -7.268 1.00 0.00 C ATOM 1196 C SER A 70 -4.278 0.092 -6.928 1.00 0.00 C ATOM 1197 O SER A 70 -5.021 1.066 -6.990 1.00 0.00 O ATOM 1198 CB SER A 70 -4.886 -2.157 -6.003 1.00 0.00 C ATOM 1199 OG SER A 70 -5.748 -1.579 -5.029 1.00 0.00 O ATOM 0 H SER A 70 -3.363 -2.686 -7.924 1.00 0.00 H new ATOM 0 HA SER A 70 -5.813 -1.230 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.244 -3.154 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.888 -2.276 -5.581 1.00 0.00 H new ATOM 0 HG SER A 70 -6.632 -1.999 -5.084 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.974 0.182 -6.600 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.348 1.480 -6.300 1.00 0.00 C ATOM 1207 C PHE A 71 -2.586 2.436 -7.478 1.00 0.00 C ATOM 1208 O PHE A 71 -2.901 3.610 -7.288 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.842 1.322 -6.007 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.062 2.607 -6.069 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.334 3.644 -5.188 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.940 2.776 -7.009 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.391 4.819 -5.236 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.665 3.951 -7.062 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.388 4.972 -6.179 1.00 0.00 C ATOM 0 H PHE A 71 -2.344 -0.617 -6.537 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.804 1.896 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.720 0.884 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.417 0.617 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.121 3.531 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.157 1.982 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.179 5.615 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.449 4.069 -7.796 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.951 5.892 -6.225 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.485 1.893 -8.688 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.744 2.649 -9.915 1.00 0.00 C ATOM 1227 C TYR A 72 -4.168 3.198 -9.879 1.00 0.00 C ATOM 1228 O TYR A 72 -4.408 4.388 -10.086 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.571 1.716 -11.123 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.030 2.290 -12.451 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.291 3.263 -13.108 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.193 1.826 -13.063 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.711 3.776 -14.323 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.613 2.333 -14.275 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.865 3.302 -14.907 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.280 3.814 -16.121 1.00 0.00 O ATOM 0 H TYR A 72 -2.222 0.920 -8.848 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.044 3.480 -9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.518 1.446 -11.206 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.122 0.795 -10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.375 3.625 -12.665 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.776 1.056 -12.580 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.135 4.547 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.525 1.972 -14.727 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.111 3.372 -16.396 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.096 2.305 -9.588 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.511 2.634 -9.484 1.00 0.00 C ATOM 1248 C ASN A 73 -6.765 3.633 -8.351 1.00 0.00 C ATOM 1249 O ASN A 73 -7.668 4.461 -8.438 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.308 1.345 -9.268 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.792 1.586 -9.062 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.454 2.230 -9.878 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.328 1.059 -7.972 1.00 0.00 N ATOM 0 H ASN A 73 -4.890 1.321 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.837 3.109 -10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.169 0.691 -10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.908 0.819 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.323 1.180 -7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.746 0.532 -7.321 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.945 3.569 -7.300 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.074 4.489 -6.170 1.00 0.00 C ATOM 1262 C ALA A 74 -5.722 5.908 -6.603 1.00 0.00 C ATOM 1263 O ALA A 74 -6.339 6.876 -6.160 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.193 4.060 -5.008 1.00 0.00 C ATOM 0 H ALA A 74 -5.187 2.892 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.110 4.467 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.310 4.763 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.485 3.063 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.151 4.046 -5.327 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.746 6.019 -7.497 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.330 7.314 -8.022 1.00 0.00 C ATOM 1272 C LEU A 75 -5.479 7.924 -8.825 1.00 0.00 C ATOM 1273 O LEU A 75 -5.685 9.139 -8.819 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.081 7.154 -8.894 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.835 6.631 -8.166 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.885 5.968 -9.154 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.134 7.778 -7.445 1.00 0.00 C ATOM 0 H LEU A 75 -4.227 5.226 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.081 7.981 -7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.315 6.474 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.843 8.120 -9.339 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.142 5.888 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.006 5.602 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.390 5.133 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.578 6.694 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.251 7.399 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.835 8.535 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.815 8.221 -6.718 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.250 7.053 -9.478 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.416 7.468 -10.252 1.00 0.00 C ATOM 1291 C LEU A 76 -8.609 7.699 -9.325 1.00 0.00 C ATOM 1292 O LEU A 76 -9.560 8.395 -9.680 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.780 6.420 -11.308 1.00 0.00 C ATOM 1294 CG LEU A 76 -7.035 6.533 -12.641 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.559 6.170 -12.493 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.695 5.648 -13.682 1.00 0.00 C ATOM 0 H LEU A 76 -6.084 6.047 -9.484 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.166 8.399 -10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.592 5.431 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.850 6.486 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.087 7.572 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.063 6.262 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.088 6.845 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.471 5.144 -12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.158 5.735 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.672 4.611 -13.346 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.730 5.961 -13.822 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.539 7.126 -8.126 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.588 7.282 -7.142 1.00 0.00 C ATOM 1310 C HIS A 77 -9.549 8.698 -6.601 1.00 0.00 C ATOM 1311 O HIS A 77 -10.562 9.252 -6.177 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.423 6.258 -6.021 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.342 5.074 -6.142 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -10.598 4.441 -7.333 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.042 4.394 -5.203 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -11.412 3.424 -7.122 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.699 3.373 -5.836 1.00 0.00 N ATOM 0 H HIS A 77 -7.758 6.547 -7.818 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.559 7.106 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.391 5.906 -6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.601 6.748 -5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.076 4.617 -4.147 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.782 2.746 -7.877 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.308 2.688 -5.388 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.363 9.290 -6.681 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.139 10.665 -6.270 1.00 0.00 C ATOM 1328 C GLU A 78 -7.851 11.495 -7.524 1.00 0.00 C ATOM 1329 O GLU A 78 -8.505 11.308 -8.553 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.985 10.769 -5.252 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.372 10.384 -3.846 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.544 11.193 -3.336 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.434 12.435 -3.266 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.583 10.589 -3.011 1.00 0.00 O ATOM 0 H GLU A 78 -7.527 8.825 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.027 11.048 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.165 10.130 -5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.609 11.792 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.624 9.324 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.518 10.527 -3.184 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.883 12.394 -7.459 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.561 13.196 -8.627 1.00 0.00 C ATOM 1343 C GLY A 79 -5.110 13.058 -9.057 1.00 0.00 C ATOM 1344 O GLY A 79 -4.411 14.059 -9.215 1.00 0.00 O ATOM 0 H GLY A 79 -6.318 12.584 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.209 12.903 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.773 14.243 -8.412 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.645 11.824 -9.241 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.257 11.582 -9.641 1.00 0.00 C ATOM 1350 C TYR A 80 -3.195 10.562 -10.777 1.00 0.00 C ATOM 1351 O TYR A 80 -2.374 9.639 -10.773 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.446 11.087 -8.437 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.750 11.847 -7.172 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.111 13.043 -6.880 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.722 11.393 -6.297 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.426 13.755 -5.741 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -4.049 12.103 -5.169 1.00 0.00 C ATOM 1358 CZ TYR A 80 -3.404 13.279 -4.893 1.00 0.00 C ATOM 1359 OH TYR A 80 -3.760 13.989 -3.779 1.00 0.00 O ATOM 0 H TYR A 80 -5.204 10.979 -9.121 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.828 12.518 -9.998 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.652 10.029 -8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.383 11.175 -8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.357 13.422 -7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.232 10.464 -6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.911 14.677 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.813 11.735 -4.501 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.464 13.508 -3.296 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.084 10.728 -11.744 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.154 9.821 -12.879 1.00 0.00 C ATOM 1371 C LYS A 81 -3.010 10.048 -13.869 1.00 0.00 C ATOM 1372 O LYS A 81 -2.756 9.195 -14.715 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.508 9.950 -13.585 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.787 11.330 -14.147 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.196 11.421 -14.700 1.00 0.00 C ATOM 1376 CE LYS A 81 -7.428 12.741 -15.418 1.00 0.00 C ATOM 1377 NZ LYS A 81 -6.517 12.908 -16.584 1.00 0.00 N ATOM 0 H LYS A 81 -4.768 11.484 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.050 8.808 -12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.553 9.224 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.298 9.690 -12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.651 12.078 -13.366 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.069 11.557 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.372 10.595 -15.389 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.915 11.316 -13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.463 12.793 -15.756 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.279 13.565 -14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.893 13.644 -17.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.573 13.188 -16.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.449 12.009 -17.103 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.306 11.176 -13.765 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.187 11.436 -14.678 1.00 0.00 C ATOM 1393 C ASP A 82 0.078 10.747 -14.181 1.00 0.00 C ATOM 1394 O ASP A 82 0.867 10.263 -14.988 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.965 12.932 -14.928 1.00 0.00 C ATOM 1396 CG ASP A 82 -0.774 13.747 -13.671 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.254 13.577 -12.992 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.659 14.571 -13.369 1.00 0.00 O ATOM 0 H ASP A 82 -2.482 11.908 -13.077 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.449 11.009 -15.646 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.089 13.057 -15.565 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.819 13.328 -15.478 1.00 0.00 H new ATOM 1403 N LEU A 83 0.244 10.630 -12.864 1.00 0.00 N ATOM 1404 CA LEU A 83 1.390 9.906 -12.329 1.00 0.00 C ATOM 1405 C LEU A 83 1.162 8.453 -12.701 1.00 0.00 C ATOM 1406 O LEU A 83 2.051 7.749 -13.166 1.00 0.00 O ATOM 1407 CB LEU A 83 1.476 10.055 -10.805 1.00 0.00 C ATOM 1408 CG LEU A 83 2.879 9.961 -10.178 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.559 8.628 -10.454 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.759 11.087 -10.671 1.00 0.00 C ATOM 0 H LEU A 83 -0.387 11.019 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 83 2.325 10.292 -12.734 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.046 11.019 -10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.849 9.287 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 83 2.740 10.044 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.544 8.619 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.955 7.819 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.665 8.490 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.746 11.003 -10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.853 11.028 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.314 12.043 -10.397 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.088 8.048 -12.534 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.527 6.709 -12.883 1.00 0.00 C ATOM 1424 C ALA A 84 -0.371 6.467 -14.386 1.00 0.00 C ATOM 1425 O ALA A 84 -0.090 5.351 -14.812 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.969 6.517 -12.460 1.00 0.00 C ATOM 0 H ALA A 84 -0.826 8.640 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 84 0.095 5.985 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.295 5.511 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.053 6.655 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.598 7.247 -12.969 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.537 7.524 -15.187 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.392 7.419 -16.640 1.00 0.00 C ATOM 1434 C ALA A 85 1.061 7.160 -16.995 1.00 0.00 C ATOM 1435 O ALA A 85 1.362 6.522 -18.001 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.903 8.670 -17.331 1.00 0.00 C ATOM 0 H ALA A 85 -0.771 8.459 -14.854 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.994 6.581 -16.990 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.783 8.565 -18.409 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.958 8.811 -17.095 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.335 9.534 -16.986 1.00 0.00 H new ATOM 1442 N LEU A 86 1.960 7.626 -16.135 1.00 0.00 N ATOM 1443 CA LEU A 86 3.391 7.402 -16.324 1.00 0.00 C ATOM 1444 C LEU A 86 3.704 5.924 -16.079 1.00 0.00 C ATOM 1445 O LEU A 86 4.768 5.420 -16.442 1.00 0.00 O ATOM 1446 CB LEU A 86 4.201 8.252 -15.342 1.00 0.00 C ATOM 1447 CG LEU A 86 4.096 9.759 -15.532 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.575 10.490 -14.288 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.908 10.186 -16.738 1.00 0.00 C ATOM 0 H LEU A 86 1.724 8.162 -15.299 1.00 0.00 H new ATOM 0 HA LEU A 86 3.660 7.683 -17.342 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.880 8.009 -14.329 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.250 7.966 -15.422 1.00 0.00 H new ATOM 0 HG LEU A 86 3.050 10.017 -15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.492 11.566 -14.444 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.961 10.198 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.615 10.231 -14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.828 11.265 -16.867 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.953 9.915 -16.587 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.528 9.685 -17.628 1.00 0.00 H new ATOM 1461 N LEU A 87 2.750 5.261 -15.430 1.00 0.00 N ATOM 1462 CA LEU A 87 2.843 3.851 -15.071 1.00 0.00 C ATOM 1463 C LEU A 87 1.829 3.022 -15.857 1.00 0.00 C ATOM 1464 O LEU A 87 1.712 1.818 -15.653 1.00 0.00 O ATOM 1465 CB LEU A 87 2.535 3.681 -13.587 1.00 0.00 C ATOM 1466 CG LEU A 87 3.621 4.072 -12.580 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.134 5.487 -12.809 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.065 3.948 -11.171 1.00 0.00 C ATOM 0 H LEU A 87 1.877 5.697 -15.135 1.00 0.00 H new ATOM 0 HA LEU A 87 3.853 3.511 -15.302 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.644 4.266 -13.361 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.281 2.635 -13.416 1.00 0.00 H new ATOM 0 HG LEU A 87 4.464 3.395 -12.716 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.902 5.719 -12.071 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.558 5.563 -13.810 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.310 6.193 -12.709 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.834 4.225 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.207 4.611 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.754 2.919 -10.992 1.00 0.00 H new ATOM 1480 N HIS A 88 1.093 3.687 -16.738 1.00 0.00 N ATOM 1481 CA HIS A 88 0.064 3.049 -17.562 1.00 0.00 C ATOM 1482 C HIS A 88 0.692 1.961 -18.422 1.00 0.00 C ATOM 1483 O HIS A 88 0.115 0.893 -18.614 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.584 4.118 -18.437 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.900 3.751 -19.053 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.565 4.589 -19.921 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.689 2.653 -18.913 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.698 4.027 -20.294 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.802 2.856 -19.697 1.00 0.00 N ATOM 0 H HIS A 88 1.190 4.689 -16.905 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.694 2.586 -16.930 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.724 5.016 -17.836 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.110 4.375 -19.237 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.482 1.786 -18.303 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.420 4.454 -20.974 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.581 2.206 -19.800 1.00 0.00 H new ATOM 1498 N ASP A 89 1.894 2.246 -18.909 1.00 0.00 N ATOM 1499 CA ASP A 89 2.653 1.300 -19.730 1.00 0.00 C ATOM 1500 C ASP A 89 3.018 0.083 -18.885 1.00 0.00 C ATOM 1501 O ASP A 89 3.119 -1.039 -19.381 1.00 0.00 O ATOM 1502 CB ASP A 89 3.925 1.976 -20.264 1.00 0.00 C ATOM 1503 CG ASP A 89 4.712 1.128 -21.252 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.341 0.131 -20.840 1.00 0.00 O ATOM 1505 OD2 ASP A 89 4.724 1.478 -22.457 1.00 0.00 O ATOM 0 H ASP A 89 2.371 3.133 -18.749 1.00 0.00 H new ATOM 0 HA ASP A 89 2.046 0.981 -20.578 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.650 2.914 -20.746 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.571 2.227 -19.422 1.00 0.00 H new ATOM 1510 N GLY A 90 3.187 0.325 -17.590 1.00 0.00 N ATOM 1511 CA GLY A 90 3.517 -0.736 -16.667 1.00 0.00 C ATOM 1512 C GLY A 90 2.325 -1.625 -16.366 1.00 0.00 C ATOM 1513 O GLY A 90 2.486 -2.828 -16.173 1.00 0.00 O ATOM 0 H GLY A 90 3.100 1.247 -17.163 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.323 -1.340 -17.084 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.890 -0.304 -15.738 1.00 0.00 H new ATOM 1517 N ILE A 91 1.131 -1.028 -16.334 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.101 -1.767 -16.066 1.00 0.00 C ATOM 1519 C ILE A 91 -0.476 -2.629 -17.276 1.00 0.00 C ATOM 1520 O ILE A 91 -0.902 -2.106 -18.306 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.276 -0.807 -15.756 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.853 0.278 -14.759 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.469 -1.587 -15.222 1.00 0.00 C ATOM 1524 CD1 ILE A 91 -0.479 -0.235 -13.398 1.00 0.00 C ATOM 0 H ILE A 91 0.993 -0.030 -16.491 1.00 0.00 H new ATOM 0 HA ILE A 91 0.079 -2.400 -15.197 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.567 -0.315 -16.684 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.005 0.823 -15.173 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.669 0.993 -14.652 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.287 -0.899 -15.008 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.791 -2.314 -15.967 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.184 -2.107 -14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.194 0.601 -12.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.331 -0.753 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.359 -0.926 -13.487 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.320 -3.962 -17.177 1.00 0.00 N ATOM 1537 CA PRO A 92 -0.642 -4.875 -18.278 1.00 0.00 C ATOM 1538 C PRO A 92 -2.130 -4.859 -18.607 1.00 0.00 C ATOM 1539 O PRO A 92 -2.537 -4.473 -19.707 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.212 -6.253 -17.753 1.00 0.00 C ATOM 1541 CG PRO A 92 0.672 -5.971 -16.585 1.00 0.00 C ATOM 1542 CD PRO A 92 0.173 -4.685 -15.996 1.00 0.00 C ATOM 0 HA PRO A 92 -0.139 -4.596 -19.204 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.076 -6.848 -17.458 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.318 -6.818 -18.520 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.626 -6.779 -15.855 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.713 -5.881 -16.895 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.617 -4.854 -15.265 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.966 -4.137 -15.487 1.00 0.00 H new