USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1106 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 32 SER OG : rot -80:sc= -4.23! USER MOD Set 1.2: A 85 HIS : no HE2:sc= -7.34! C(o=-14!,f=-17!) USER MOD Set 1.3: A 89 ASN : amide:sc= -2.71 K(o=-14,f=-15!) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.32 K(o=-1.1,f=-2.5) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.222 K(o=-1.1,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -1.09 (180deg=-2.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 39 THR OG1 : rot -171:sc= 0.574 USER MOD Single : A 42 GLN : amide:sc= -0.0484 K(o=-0.048,f=-1.6!) USER MOD Single : A 43 ASN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -38:sc= -4.23! USER MOD Single : A 71 ASN :FLIP amide:sc= 0.00155 F(o=-0.51,f=0.0015) USER MOD Single : A 80 GLN : amide:sc= -0.0344 X(o=-0.034,f=0.086) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00393) USER MOD Single : A 84 THR OG1 : rot 59:sc= 0.366 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.05) USER MOD Single : A 106 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -123:sc= -0.524 (180deg=-4.67!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc=-0.00747 (180deg=-0.00747) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.433 -7.187 -21.985 1.00 0.00 N ATOM 2 CA MET A 1 0.724 -8.495 -21.997 1.00 0.00 C ATOM 3 C MET A 1 1.510 -9.554 -21.230 1.00 0.00 C ATOM 4 O MET A 1 2.568 -10.000 -21.675 1.00 0.00 O ATOM 5 CB MET A 1 0.529 -8.932 -23.450 1.00 0.00 C ATOM 6 CG MET A 1 -0.269 -10.218 -23.597 1.00 0.00 C ATOM 7 SD MET A 1 -1.669 -10.048 -24.721 1.00 0.00 S ATOM 8 CE MET A 1 -1.143 -11.093 -26.077 1.00 0.00 C ATOM 0 H1 MET A 1 0.876 -6.485 -22.514 1.00 0.00 H new ATOM 0 H2 MET A 1 1.552 -6.866 -21.003 1.00 0.00 H new ATOM 0 H3 MET A 1 2.367 -7.294 -22.430 1.00 0.00 H new ATOM 0 HA MET A 1 -0.243 -8.382 -21.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.023 -8.136 -23.995 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.506 -9.065 -23.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.388 -11.008 -23.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.631 -10.529 -22.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.906 -11.091 -26.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.207 -10.714 -26.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.995 -12.111 -25.716 1.00 0.00 H new ATOM 18 N ASP A 2 0.983 -9.954 -20.077 1.00 0.00 N ATOM 19 CA ASP A 2 1.633 -10.961 -19.248 1.00 0.00 C ATOM 20 C ASP A 2 0.732 -11.372 -18.087 1.00 0.00 C ATOM 21 O ASP A 2 0.352 -10.544 -17.259 1.00 0.00 O ATOM 22 CB ASP A 2 2.966 -10.428 -18.715 1.00 0.00 C ATOM 23 CG ASP A 2 4.159 -11.120 -19.346 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.232 -12.365 -19.269 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.019 -10.417 -19.916 1.00 0.00 O ATOM 0 H ASP A 2 0.107 -9.596 -19.696 1.00 0.00 H new ATOM 0 HA ASP A 2 1.822 -11.840 -19.864 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.028 -9.357 -18.906 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.002 -10.562 -17.634 1.00 0.00 H new ATOM 30 N ASP A 3 0.394 -12.655 -18.035 1.00 0.00 N ATOM 31 CA ASP A 3 -0.464 -13.177 -16.976 1.00 0.00 C ATOM 32 C ASP A 3 0.365 -13.857 -15.891 1.00 0.00 C ATOM 33 O ASP A 3 1.510 -14.245 -16.123 1.00 0.00 O ATOM 34 CB ASP A 3 -1.481 -14.163 -17.554 1.00 0.00 C ATOM 35 CG ASP A 3 -2.899 -13.851 -17.116 1.00 0.00 C ATOM 36 OD1 ASP A 3 -3.141 -13.778 -15.893 1.00 0.00 O ATOM 37 OD2 ASP A 3 -3.768 -13.680 -17.998 1.00 0.00 O ATOM 0 H ASP A 3 0.700 -13.353 -18.713 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.998 -12.339 -16.528 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.426 -14.141 -18.642 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.221 -15.174 -17.242 1.00 0.00 H new ATOM 42 N TYR A 4 -0.220 -13.996 -14.707 1.00 0.00 N ATOM 43 CA TYR A 4 0.465 -14.629 -13.585 1.00 0.00 C ATOM 44 C TYR A 4 0.269 -16.142 -13.613 1.00 0.00 C ATOM 45 O TYR A 4 -0.470 -16.697 -12.800 1.00 0.00 O ATOM 46 CB TYR A 4 -0.043 -14.061 -12.259 1.00 0.00 C ATOM 47 CG TYR A 4 -0.274 -12.566 -12.286 1.00 0.00 C ATOM 48 CD1 TYR A 4 0.751 -11.692 -12.625 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.517 -12.031 -11.975 1.00 0.00 C ATOM 50 CE1 TYR A 4 0.544 -10.326 -12.651 1.00 0.00 C ATOM 51 CE2 TYR A 4 -1.733 -10.666 -12.000 1.00 0.00 C ATOM 52 CZ TYR A 4 -0.699 -9.818 -12.338 1.00 0.00 C ATOM 53 OH TYR A 4 -0.910 -8.459 -12.364 1.00 0.00 O ATOM 0 H TYR A 4 -1.167 -13.679 -14.499 1.00 0.00 H new ATOM 0 HA TYR A 4 1.530 -14.416 -13.676 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.976 -14.559 -11.994 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.677 -14.294 -11.474 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.726 -12.086 -12.872 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.328 -12.692 -11.709 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.352 -9.660 -12.915 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.706 -10.266 -11.756 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.839 -8.268 -12.119 1.00 0.00 H new ATOM 63 N GLU A 5 0.934 -16.802 -14.555 1.00 0.00 N ATOM 64 CA GLU A 5 0.833 -18.250 -14.689 1.00 0.00 C ATOM 65 C GLU A 5 1.771 -18.953 -13.713 1.00 0.00 C ATOM 66 O GLU A 5 1.332 -19.732 -12.866 1.00 0.00 O ATOM 67 CB GLU A 5 1.155 -18.674 -16.124 1.00 0.00 C ATOM 68 CG GLU A 5 -0.044 -19.223 -16.878 1.00 0.00 C ATOM 69 CD GLU A 5 -0.124 -20.736 -16.823 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.910 -21.394 -17.064 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.220 -21.262 -16.538 1.00 0.00 O ATOM 0 H GLU A 5 1.549 -16.357 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.190 -18.542 -14.454 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.554 -17.817 -16.667 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.939 -19.431 -16.103 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.957 -18.799 -16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.008 -18.903 -17.919 1.00 0.00 H new ATOM 78 N LYS A 6 3.064 -18.674 -13.838 1.00 0.00 N ATOM 79 CA LYS A 6 4.063 -19.280 -12.968 1.00 0.00 C ATOM 80 C LYS A 6 5.350 -18.464 -12.967 1.00 0.00 C ATOM 81 O LYS A 6 5.667 -17.782 -13.941 1.00 0.00 O ATOM 82 CB LYS A 6 4.358 -20.714 -13.416 1.00 0.00 C ATOM 83 CG LYS A 6 4.367 -21.718 -12.276 1.00 0.00 C ATOM 84 CD LYS A 6 3.821 -23.067 -12.716 1.00 0.00 C ATOM 85 CE LYS A 6 2.812 -23.613 -11.719 1.00 0.00 C ATOM 86 NZ LYS A 6 3.439 -24.568 -10.763 1.00 0.00 N ATOM 0 H LYS A 6 3.444 -18.032 -14.534 1.00 0.00 H new ATOM 0 HA LYS A 6 3.662 -19.297 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.611 -21.017 -14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.326 -20.737 -13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.385 -21.840 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.770 -21.335 -11.448 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.350 -22.968 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.643 -23.774 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.364 -22.787 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.005 -24.113 -12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.719 -24.918 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.845 -25.369 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.192 -24.085 -10.233 1.00 0.00 H new ATOM 100 N LEU A 7 6.092 -18.545 -11.868 1.00 0.00 N ATOM 101 CA LEU A 7 7.348 -17.819 -11.742 1.00 0.00 C ATOM 102 C LEU A 7 8.508 -18.671 -12.244 1.00 0.00 C ATOM 103 O LEU A 7 9.502 -18.864 -11.541 1.00 0.00 O ATOM 104 CB LEU A 7 7.586 -17.408 -10.287 1.00 0.00 C ATOM 105 CG LEU A 7 6.903 -16.103 -9.860 1.00 0.00 C ATOM 106 CD1 LEU A 7 6.260 -16.258 -8.490 1.00 0.00 C ATOM 107 CD2 LEU A 7 7.901 -14.951 -9.856 1.00 0.00 C ATOM 0 H LEU A 7 5.845 -19.106 -11.053 1.00 0.00 H new ATOM 0 HA LEU A 7 7.286 -16.918 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.239 -18.211 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.659 -17.308 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 7 6.119 -15.875 -10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.781 -15.321 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.513 -17.051 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.025 -16.512 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.397 -14.034 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.708 -15.171 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.312 -14.823 -10.857 1.00 0.00 H new ATOM 119 N LEU A 8 8.379 -19.175 -13.469 1.00 0.00 N ATOM 120 CA LEU A 8 9.420 -20.003 -14.071 1.00 0.00 C ATOM 121 C LEU A 8 10.511 -19.139 -14.694 1.00 0.00 C ATOM 122 O LEU A 8 11.071 -19.480 -15.735 1.00 0.00 O ATOM 123 CB LEU A 8 8.818 -20.925 -15.134 1.00 0.00 C ATOM 124 CG LEU A 8 9.408 -22.337 -15.173 1.00 0.00 C ATOM 125 CD1 LEU A 8 8.478 -23.323 -14.483 1.00 0.00 C ATOM 126 CD2 LEU A 8 9.673 -22.767 -16.609 1.00 0.00 C ATOM 0 H LEU A 8 7.564 -19.024 -14.064 1.00 0.00 H new ATOM 0 HA LEU A 8 9.866 -20.609 -13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.744 -21.000 -14.962 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.953 -20.464 -16.112 1.00 0.00 H new ATOM 0 HG LEU A 8 10.357 -22.327 -14.637 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.914 -24.321 -14.520 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.340 -23.026 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.513 -23.329 -14.990 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.092 -23.773 -16.616 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.738 -22.759 -17.169 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.379 -22.077 -17.071 1.00 0.00 H new ATOM 138 N GLU A 9 10.808 -18.018 -14.046 1.00 0.00 N ATOM 139 CA GLU A 9 11.830 -17.102 -14.526 1.00 0.00 C ATOM 140 C GLU A 9 13.011 -17.075 -13.567 1.00 0.00 C ATOM 141 O GLU A 9 12.852 -17.299 -12.370 1.00 0.00 O ATOM 142 CB GLU A 9 11.247 -15.696 -14.675 1.00 0.00 C ATOM 143 CG GLU A 9 12.218 -14.688 -15.269 1.00 0.00 C ATOM 144 CD GLU A 9 11.823 -14.248 -16.664 1.00 0.00 C ATOM 145 OE1 GLU A 9 10.660 -13.833 -16.848 1.00 0.00 O ATOM 146 OE2 GLU A 9 12.677 -14.320 -17.573 1.00 0.00 O ATOM 0 H GLU A 9 10.352 -17.723 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 9 12.177 -17.448 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.359 -15.746 -15.305 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.924 -15.341 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.272 -13.815 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.216 -15.125 -15.299 1.00 0.00 H new ATOM 153 N ARG A 10 14.192 -16.801 -14.100 1.00 0.00 N ATOM 154 CA ARG A 10 15.400 -16.735 -13.291 1.00 0.00 C ATOM 155 C ARG A 10 15.860 -15.286 -13.157 1.00 0.00 C ATOM 156 O ARG A 10 15.140 -14.361 -13.532 1.00 0.00 O ATOM 157 CB ARG A 10 16.515 -17.591 -13.907 1.00 0.00 C ATOM 158 CG ARG A 10 16.023 -18.618 -14.917 1.00 0.00 C ATOM 159 CD ARG A 10 17.128 -19.030 -15.877 1.00 0.00 C ATOM 160 NE ARG A 10 16.596 -19.691 -17.067 1.00 0.00 N ATOM 161 CZ ARG A 10 15.853 -20.796 -17.032 1.00 0.00 C ATOM 162 NH1 ARG A 10 15.617 -21.413 -15.881 1.00 0.00 N ATOM 163 NH2 ARG A 10 15.365 -21.302 -18.155 1.00 0.00 N ATOM 0 H ARG A 10 14.340 -16.620 -15.093 1.00 0.00 H new ATOM 0 HA ARG A 10 15.175 -17.130 -12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.236 -16.934 -14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.045 -18.108 -13.107 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.650 -19.497 -14.391 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.186 -18.204 -15.480 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.698 -18.150 -16.175 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.820 -19.701 -15.368 1.00 0.00 H new ATOM 0 HE ARG A 10 16.806 -19.282 -17.978 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.006 -21.042 -15.014 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.047 -22.259 -15.863 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.558 -20.845 -19.046 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.796 -22.148 -18.128 1.00 0.00 H new ATOM 177 N ALA A 11 17.065 -15.094 -12.635 1.00 0.00 N ATOM 178 CA ALA A 11 17.622 -13.756 -12.470 1.00 0.00 C ATOM 179 C ALA A 11 16.670 -12.822 -11.730 1.00 0.00 C ATOM 180 O ALA A 11 16.412 -11.703 -12.173 1.00 0.00 O ATOM 181 CB ALA A 11 18.005 -13.182 -13.826 1.00 0.00 C ATOM 0 H ALA A 11 17.676 -15.847 -12.319 1.00 0.00 H new ATOM 0 HA ALA A 11 18.517 -13.842 -11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.420 -12.183 -13.694 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.749 -13.825 -14.296 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.121 -13.127 -14.461 1.00 0.00 H new ATOM 187 N ILE A 12 16.156 -13.282 -10.592 1.00 0.00 N ATOM 188 CA ILE A 12 15.242 -12.477 -9.790 1.00 0.00 C ATOM 189 C ILE A 12 15.891 -12.025 -8.482 1.00 0.00 C ATOM 190 O ILE A 12 15.377 -11.132 -7.807 1.00 0.00 O ATOM 191 CB ILE A 12 13.942 -13.244 -9.468 1.00 0.00 C ATOM 192 CG1 ILE A 12 13.401 -13.932 -10.721 1.00 0.00 C ATOM 193 CG2 ILE A 12 12.895 -12.301 -8.886 1.00 0.00 C ATOM 194 CD1 ILE A 12 12.630 -15.197 -10.422 1.00 0.00 C ATOM 0 H ILE A 12 16.357 -14.205 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 12 14.999 -11.600 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 12 14.170 -14.008 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.754 -13.238 -11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.233 -14.170 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.985 -12.859 -8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.278 -11.854 -7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.672 -11.515 -9.607 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.274 -15.635 -11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.281 -15.908 -9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.779 -14.962 -9.783 1.00 0.00 H new ATOM 206 N ASP A 13 17.013 -12.650 -8.116 1.00 0.00 N ATOM 207 CA ASP A 13 17.704 -12.302 -6.874 1.00 0.00 C ATOM 208 C ASP A 13 19.231 -12.399 -7.014 1.00 0.00 C ATOM 209 O ASP A 13 19.878 -11.435 -7.422 1.00 0.00 O ATOM 210 CB ASP A 13 17.202 -13.193 -5.734 1.00 0.00 C ATOM 211 CG ASP A 13 17.609 -12.671 -4.372 1.00 0.00 C ATOM 212 OD1 ASP A 13 17.294 -11.501 -4.066 1.00 0.00 O ATOM 213 OD2 ASP A 13 18.241 -13.431 -3.609 1.00 0.00 O ATOM 0 H ASP A 13 17.458 -13.392 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 13 17.476 -11.261 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.115 -13.264 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.593 -14.202 -5.865 1.00 0.00 H new ATOM 218 N GLN A 14 19.812 -13.553 -6.669 1.00 0.00 N ATOM 219 CA GLN A 14 21.261 -13.733 -6.761 1.00 0.00 C ATOM 220 C GLN A 14 21.645 -14.388 -8.082 1.00 0.00 C ATOM 221 O GLN A 14 22.267 -15.451 -8.106 1.00 0.00 O ATOM 222 CB GLN A 14 21.775 -14.580 -5.596 1.00 0.00 C ATOM 223 CG GLN A 14 21.451 -13.999 -4.231 1.00 0.00 C ATOM 224 CD GLN A 14 22.603 -13.201 -3.652 1.00 0.00 C ATOM 225 OE1 GLN A 14 23.170 -12.335 -4.318 1.00 0.00 O ATOM 226 NE2 GLN A 14 22.958 -13.492 -2.407 1.00 0.00 N ATOM 0 H GLN A 14 19.304 -14.369 -6.327 1.00 0.00 H new ATOM 0 HA GLN A 14 21.722 -12.747 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.345 -15.579 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 14 22.856 -14.690 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 14 20.573 -13.358 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 14 21.193 -14.808 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.460 -14.218 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 14 23.729 -12.990 -1.966 1.00 0.00 H new ATOM 235 N LEU A 15 21.263 -13.751 -9.177 1.00 0.00 N ATOM 236 CA LEU A 15 21.554 -14.272 -10.504 1.00 0.00 C ATOM 237 C LEU A 15 22.078 -13.163 -11.421 1.00 0.00 C ATOM 238 O LEU A 15 21.749 -11.991 -11.238 1.00 0.00 O ATOM 239 CB LEU A 15 20.286 -14.872 -11.102 1.00 0.00 C ATOM 240 CG LEU A 15 19.799 -16.189 -10.487 1.00 0.00 C ATOM 241 CD1 LEU A 15 20.937 -17.189 -10.374 1.00 0.00 C ATOM 242 CD2 LEU A 15 19.154 -15.949 -9.128 1.00 0.00 C ATOM 0 H LEU A 15 20.749 -12.870 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 15 22.323 -15.040 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.486 -14.137 -11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 15 20.454 -15.034 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 15 19.044 -16.610 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.566 -18.115 -9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.341 -17.394 -11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.722 -16.776 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.817 -16.899 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.882 -15.496 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.301 -15.280 -9.243 1.00 0.00 H new ATOM 254 N PRO A 16 22.895 -13.520 -12.428 1.00 0.00 N ATOM 255 CA PRO A 16 23.455 -12.550 -13.378 1.00 0.00 C ATOM 256 C PRO A 16 22.375 -11.687 -14.033 1.00 0.00 C ATOM 257 O PRO A 16 21.183 -11.971 -13.911 1.00 0.00 O ATOM 258 CB PRO A 16 24.155 -13.424 -14.433 1.00 0.00 C ATOM 259 CG PRO A 16 23.680 -14.818 -14.183 1.00 0.00 C ATOM 260 CD PRO A 16 23.336 -14.889 -12.724 1.00 0.00 C ATOM 0 HA PRO A 16 24.125 -11.846 -12.883 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.901 -13.099 -15.442 1.00 0.00 H new ATOM 0 HB3 PRO A 16 25.239 -13.357 -14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.811 -15.049 -14.799 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.453 -15.544 -14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 16 22.550 -15.619 -12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.196 -15.177 -12.119 1.00 0.00 H new ATOM 268 N PRO A 17 22.781 -10.614 -14.738 1.00 0.00 N ATOM 269 CA PRO A 17 21.845 -9.701 -15.412 1.00 0.00 C ATOM 270 C PRO A 17 20.989 -10.406 -16.474 1.00 0.00 C ATOM 271 O PRO A 17 19.894 -10.879 -16.173 1.00 0.00 O ATOM 272 CB PRO A 17 22.764 -8.644 -16.048 1.00 0.00 C ATOM 273 CG PRO A 17 24.106 -9.288 -16.116 1.00 0.00 C ATOM 274 CD PRO A 17 24.182 -10.202 -14.929 1.00 0.00 C ATOM 0 HA PRO A 17 21.119 -9.279 -14.717 1.00 0.00 H new ATOM 0 HB2 PRO A 17 22.412 -8.361 -17.040 1.00 0.00 H new ATOM 0 HB3 PRO A 17 22.793 -7.734 -15.448 1.00 0.00 H new ATOM 0 HG2 PRO A 17 24.226 -9.844 -17.046 1.00 0.00 H new ATOM 0 HG3 PRO A 17 24.900 -8.542 -16.086 1.00 0.00 H new ATOM 0 HD2 PRO A 17 24.832 -11.056 -15.118 1.00 0.00 H new ATOM 0 HD3 PRO A 17 24.576 -9.691 -14.051 1.00 0.00 H new ATOM 282 N GLU A 18 21.489 -10.479 -17.708 1.00 0.00 N ATOM 283 CA GLU A 18 20.763 -11.130 -18.798 1.00 0.00 C ATOM 284 C GLU A 18 19.345 -10.564 -18.954 1.00 0.00 C ATOM 285 O GLU A 18 19.131 -9.618 -19.714 1.00 0.00 O ATOM 286 CB GLU A 18 20.717 -12.645 -18.573 1.00 0.00 C ATOM 287 CG GLU A 18 21.469 -13.438 -19.630 1.00 0.00 C ATOM 288 CD GLU A 18 21.622 -14.899 -19.255 1.00 0.00 C ATOM 289 OE1 GLU A 18 21.944 -15.180 -18.082 1.00 0.00 O ATOM 290 OE2 GLU A 18 21.421 -15.762 -20.136 1.00 0.00 O ATOM 0 H GLU A 18 22.395 -10.095 -17.977 1.00 0.00 H new ATOM 0 HA GLU A 18 21.299 -10.925 -19.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 21.137 -12.872 -17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 18 19.677 -12.971 -18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 18 20.941 -13.363 -20.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 22.455 -12.998 -19.777 1.00 0.00 H new ATOM 297 N VAL A 19 18.378 -11.144 -18.240 1.00 0.00 N ATOM 298 CA VAL A 19 16.994 -10.688 -18.318 1.00 0.00 C ATOM 299 C VAL A 19 16.647 -9.797 -17.133 1.00 0.00 C ATOM 300 O VAL A 19 16.401 -10.280 -16.027 1.00 0.00 O ATOM 301 CB VAL A 19 16.007 -11.873 -18.372 1.00 0.00 C ATOM 302 CG1 VAL A 19 14.584 -11.380 -18.593 1.00 0.00 C ATOM 303 CG2 VAL A 19 16.408 -12.851 -19.466 1.00 0.00 C ATOM 0 H VAL A 19 18.530 -11.927 -17.604 1.00 0.00 H new ATOM 0 HA VAL A 19 16.900 -10.115 -19.240 1.00 0.00 H new ATOM 0 HB VAL A 19 16.044 -12.392 -17.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.905 -12.232 -18.628 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.296 -10.720 -17.775 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.530 -10.834 -19.535 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.701 -13.680 -19.490 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.402 -12.341 -20.430 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.409 -13.233 -19.264 1.00 0.00 H new ATOM 313 N PHE A 20 16.629 -8.493 -17.377 1.00 0.00 N ATOM 314 CA PHE A 20 16.313 -7.525 -16.335 1.00 0.00 C ATOM 315 C PHE A 20 14.832 -7.132 -16.388 1.00 0.00 C ATOM 316 O PHE A 20 13.974 -7.855 -15.883 1.00 0.00 O ATOM 317 CB PHE A 20 17.218 -6.283 -16.451 1.00 0.00 C ATOM 318 CG PHE A 20 17.656 -5.949 -17.859 1.00 0.00 C ATOM 319 CD1 PHE A 20 18.812 -6.499 -18.387 1.00 0.00 C ATOM 320 CD2 PHE A 20 16.914 -5.081 -18.650 1.00 0.00 C ATOM 321 CE1 PHE A 20 19.218 -6.192 -19.673 1.00 0.00 C ATOM 322 CE2 PHE A 20 17.313 -4.772 -19.933 1.00 0.00 C ATOM 323 CZ PHE A 20 18.466 -5.328 -20.447 1.00 0.00 C ATOM 0 H PHE A 20 16.830 -8.081 -18.288 1.00 0.00 H new ATOM 0 HA PHE A 20 16.503 -7.991 -15.368 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.689 -5.425 -16.037 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.105 -6.438 -15.836 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.403 -7.175 -17.788 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.011 -4.641 -18.254 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.122 -6.627 -20.072 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.724 -4.096 -20.535 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.781 -5.089 -21.452 1.00 0.00 H new ATOM 333 N GLU A 21 14.541 -5.990 -16.997 1.00 0.00 N ATOM 334 CA GLU A 21 13.178 -5.501 -17.119 1.00 0.00 C ATOM 335 C GLU A 21 12.554 -5.274 -15.751 1.00 0.00 C ATOM 336 O GLU A 21 13.212 -5.423 -14.720 1.00 0.00 O ATOM 337 CB GLU A 21 12.325 -6.476 -17.934 1.00 0.00 C ATOM 338 CG GLU A 21 11.667 -5.828 -19.140 1.00 0.00 C ATOM 339 CD GLU A 21 10.753 -6.777 -19.891 1.00 0.00 C ATOM 340 OE1 GLU A 21 9.784 -7.275 -19.283 1.00 0.00 O ATOM 341 OE2 GLU A 21 11.007 -7.019 -21.090 1.00 0.00 O ATOM 0 H GLU A 21 15.242 -5.380 -17.418 1.00 0.00 H new ATOM 0 HA GLU A 21 13.212 -4.545 -17.642 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.950 -7.303 -18.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.554 -6.900 -17.291 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.093 -4.961 -18.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.439 -5.463 -19.817 1.00 0.00 H new ATOM 348 N THR A 22 11.279 -4.911 -15.753 1.00 0.00 N ATOM 349 CA THR A 22 10.552 -4.658 -14.519 1.00 0.00 C ATOM 350 C THR A 22 10.300 -5.959 -13.765 1.00 0.00 C ATOM 351 O THR A 22 10.077 -7.006 -14.374 1.00 0.00 O ATOM 352 CB THR A 22 9.226 -3.957 -14.823 1.00 0.00 C ATOM 353 OG1 THR A 22 8.582 -3.555 -13.624 1.00 0.00 O ATOM 354 CG2 THR A 22 8.256 -4.815 -15.617 1.00 0.00 C ATOM 0 H THR A 22 10.725 -4.785 -16.600 1.00 0.00 H new ATOM 0 HA THR A 22 11.159 -4.008 -13.888 1.00 0.00 H new ATOM 0 HB THR A 22 9.490 -3.092 -15.432 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.737 -3.108 -13.840 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.338 -4.255 -15.796 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.708 -5.087 -16.571 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.025 -5.719 -15.054 1.00 0.00 H new ATOM 362 N LYS A 23 10.337 -5.886 -12.440 1.00 0.00 N ATOM 363 CA LYS A 23 10.110 -7.060 -11.608 1.00 0.00 C ATOM 364 C LYS A 23 8.637 -7.445 -11.618 1.00 0.00 C ATOM 365 O LYS A 23 7.793 -6.696 -12.110 1.00 0.00 O ATOM 366 CB LYS A 23 10.570 -6.789 -10.172 1.00 0.00 C ATOM 367 CG LYS A 23 11.321 -7.952 -9.541 1.00 0.00 C ATOM 368 CD LYS A 23 12.688 -8.145 -10.177 1.00 0.00 C ATOM 369 CE LYS A 23 13.747 -7.314 -9.474 1.00 0.00 C ATOM 370 NZ LYS A 23 13.534 -5.856 -9.682 1.00 0.00 N ATOM 0 H LYS A 23 10.522 -5.028 -11.920 1.00 0.00 H new ATOM 0 HA LYS A 23 10.690 -7.888 -12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.211 -5.908 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.700 -6.555 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.438 -7.773 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.736 -8.865 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.964 -9.199 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.644 -7.866 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.733 -7.535 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.733 -7.594 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.425 -5.347 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.220 -5.687 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.808 -5.514 -9.021 1.00 0.00 H new ATOM 384 N ARG A 24 8.330 -8.611 -11.060 1.00 0.00 N ATOM 385 CA ARG A 24 6.954 -9.084 -10.994 1.00 0.00 C ATOM 386 C ARG A 24 6.262 -8.531 -9.751 1.00 0.00 C ATOM 387 O ARG A 24 5.420 -9.195 -9.145 1.00 0.00 O ATOM 388 CB ARG A 24 6.918 -10.617 -10.991 1.00 0.00 C ATOM 389 CG ARG A 24 6.053 -11.214 -12.092 1.00 0.00 C ATOM 390 CD ARG A 24 6.809 -11.317 -13.409 1.00 0.00 C ATOM 391 NE ARG A 24 6.800 -10.054 -14.145 1.00 0.00 N ATOM 392 CZ ARG A 24 6.717 -9.963 -15.471 1.00 0.00 C ATOM 393 NH1 ARG A 24 6.666 -11.057 -16.224 1.00 0.00 N ATOM 394 NH2 ARG A 24 6.693 -8.770 -16.048 1.00 0.00 N ATOM 0 H ARG A 24 9.015 -9.244 -10.648 1.00 0.00 H new ATOM 0 HA ARG A 24 6.420 -8.727 -11.874 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.935 -10.995 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.548 -10.960 -10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.712 -12.204 -11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.164 -10.599 -12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.839 -11.616 -13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.362 -12.098 -14.024 1.00 0.00 H new ATOM 0 HE ARG A 24 6.861 -9.188 -13.609 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.690 -11.978 -15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.603 -10.975 -17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.738 -7.926 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.630 -8.696 -17.063 1.00 0.00 H new ATOM 408 N PHE A 25 6.628 -7.305 -9.382 1.00 0.00 N ATOM 409 CA PHE A 25 6.053 -6.645 -8.220 1.00 0.00 C ATOM 410 C PHE A 25 4.818 -5.853 -8.614 1.00 0.00 C ATOM 411 O PHE A 25 4.887 -4.645 -8.842 1.00 0.00 O ATOM 412 CB PHE A 25 7.080 -5.713 -7.574 1.00 0.00 C ATOM 413 CG PHE A 25 7.967 -6.395 -6.569 1.00 0.00 C ATOM 414 CD1 PHE A 25 7.437 -7.278 -5.642 1.00 0.00 C ATOM 415 CD2 PHE A 25 9.330 -6.148 -6.551 1.00 0.00 C ATOM 416 CE1 PHE A 25 8.251 -7.903 -4.716 1.00 0.00 C ATOM 417 CE2 PHE A 25 10.149 -6.770 -5.627 1.00 0.00 C ATOM 418 CZ PHE A 25 9.608 -7.649 -4.709 1.00 0.00 C ATOM 0 H PHE A 25 7.325 -6.749 -9.877 1.00 0.00 H new ATOM 0 HA PHE A 25 5.766 -7.411 -7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.701 -5.274 -8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.556 -4.892 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.376 -7.480 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.758 -5.462 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.826 -8.589 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.210 -6.569 -5.623 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.246 -8.137 -3.987 1.00 0.00 H new ATOM 428 N GLU A 26 3.690 -6.541 -8.695 1.00 0.00 N ATOM 429 CA GLU A 26 2.435 -5.905 -9.061 1.00 0.00 C ATOM 430 C GLU A 26 1.295 -6.432 -8.208 1.00 0.00 C ATOM 431 O GLU A 26 0.873 -7.578 -8.357 1.00 0.00 O ATOM 432 CB GLU A 26 2.128 -6.145 -10.535 1.00 0.00 C ATOM 433 CG GLU A 26 3.145 -5.523 -11.473 1.00 0.00 C ATOM 434 CD GLU A 26 2.600 -4.309 -12.197 1.00 0.00 C ATOM 435 OE1 GLU A 26 2.261 -3.316 -11.520 1.00 0.00 O ATOM 436 OE2 GLU A 26 2.512 -4.351 -13.442 1.00 0.00 O ATOM 0 H GLU A 26 3.618 -7.542 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 26 2.536 -4.834 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.084 -7.218 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.141 -5.742 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.030 -5.236 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.462 -6.266 -12.204 1.00 0.00 H new ATOM 443 N VAL A 27 0.804 -5.592 -7.312 1.00 0.00 N ATOM 444 CA VAL A 27 -0.283 -5.980 -6.438 1.00 0.00 C ATOM 445 C VAL A 27 -1.136 -4.771 -6.030 1.00 0.00 C ATOM 446 O VAL A 27 -1.472 -4.601 -4.857 1.00 0.00 O ATOM 447 CB VAL A 27 0.282 -6.716 -5.204 1.00 0.00 C ATOM 448 CG1 VAL A 27 0.770 -5.750 -4.127 1.00 0.00 C ATOM 449 CG2 VAL A 27 -0.734 -7.704 -4.650 1.00 0.00 C ATOM 0 H VAL A 27 1.142 -4.640 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.941 -6.659 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 27 1.155 -7.279 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.158 -6.315 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.560 -5.119 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.059 -5.125 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.313 -8.210 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.638 -7.170 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.980 -8.440 -5.415 1.00 0.00 H new ATOM 459 N PRO A 28 -1.515 -3.916 -7.008 1.00 0.00 N ATOM 460 CA PRO A 28 -2.341 -2.732 -6.748 1.00 0.00 C ATOM 461 C PRO A 28 -3.599 -3.075 -5.966 1.00 0.00 C ATOM 462 O PRO A 28 -3.835 -4.236 -5.636 1.00 0.00 O ATOM 463 CB PRO A 28 -2.717 -2.242 -8.149 1.00 0.00 C ATOM 464 CG PRO A 28 -1.628 -2.737 -9.031 1.00 0.00 C ATOM 465 CD PRO A 28 -1.183 -4.046 -8.444 1.00 0.00 C ATOM 0 HA PRO A 28 -1.812 -1.992 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.686 -2.635 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.789 -1.155 -8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.983 -2.868 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.803 -2.026 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.704 -4.888 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.116 -4.211 -8.595 1.00 0.00 H new ATOM 473 N LYS A 29 -4.403 -2.057 -5.675 1.00 0.00 N ATOM 474 CA LYS A 29 -5.646 -2.240 -4.934 1.00 0.00 C ATOM 475 C LYS A 29 -5.359 -2.295 -3.431 1.00 0.00 C ATOM 476 O LYS A 29 -4.585 -1.482 -2.923 1.00 0.00 O ATOM 477 CB LYS A 29 -6.373 -3.505 -5.427 1.00 0.00 C ATOM 478 CG LYS A 29 -7.881 -3.348 -5.542 1.00 0.00 C ATOM 479 CD LYS A 29 -8.454 -4.263 -6.614 1.00 0.00 C ATOM 480 CE LYS A 29 -9.935 -4.527 -6.391 1.00 0.00 C ATOM 481 NZ LYS A 29 -10.174 -5.840 -5.729 1.00 0.00 N ATOM 0 H LYS A 29 -4.214 -1.091 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.305 -1.390 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.972 -3.785 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.155 -4.326 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.346 -3.574 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.124 -2.312 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.308 -3.811 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.911 -5.208 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.357 -3.730 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.456 -4.503 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.196 -5.981 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.794 -6.603 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.699 -5.854 -4.804 1.00 0.00 H new ATOM 495 N ALA A 30 -5.974 -3.234 -2.714 1.00 0.00 N ATOM 496 CA ALA A 30 -5.762 -3.348 -1.277 1.00 0.00 C ATOM 497 C ALA A 30 -6.483 -2.231 -0.545 1.00 0.00 C ATOM 498 O ALA A 30 -6.537 -1.097 -1.022 1.00 0.00 O ATOM 499 CB ALA A 30 -4.278 -3.318 -0.945 1.00 0.00 C ATOM 0 H ALA A 30 -6.619 -3.922 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.169 -4.304 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.145 -3.405 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.777 -4.150 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.847 -2.378 -1.290 1.00 0.00 H new ATOM 505 N TYR A 31 -7.037 -2.553 0.613 1.00 0.00 N ATOM 506 CA TYR A 31 -7.755 -1.566 1.400 1.00 0.00 C ATOM 507 C TYR A 31 -8.005 -2.075 2.818 1.00 0.00 C ATOM 508 O TYR A 31 -8.137 -3.278 3.043 1.00 0.00 O ATOM 509 CB TYR A 31 -9.072 -1.206 0.703 1.00 0.00 C ATOM 510 CG TYR A 31 -10.163 -2.236 0.870 1.00 0.00 C ATOM 511 CD1 TYR A 31 -11.016 -2.194 1.961 1.00 0.00 C ATOM 512 CD2 TYR A 31 -10.340 -3.248 -0.062 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.015 -3.132 2.125 1.00 0.00 C ATOM 514 CE2 TYR A 31 -11.337 -4.191 0.090 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.173 -4.129 1.186 1.00 0.00 C ATOM 516 OH TYR A 31 -13.167 -5.065 1.343 1.00 0.00 O ATOM 0 H TYR A 31 -7.003 -3.485 1.026 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.144 -0.667 1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.427 -0.251 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.880 -1.065 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.897 -1.413 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.687 -3.299 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.669 -3.085 2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.462 -4.973 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.143 -5.696 0.594 1.00 0.00 H new ATOM 526 N SER A 32 -8.058 -1.149 3.773 1.00 0.00 N ATOM 527 CA SER A 32 -8.282 -1.499 5.175 1.00 0.00 C ATOM 528 C SER A 32 -9.773 -1.583 5.485 1.00 0.00 C ATOM 529 O SER A 32 -10.609 -1.346 4.619 1.00 0.00 O ATOM 530 CB SER A 32 -7.619 -0.463 6.082 1.00 0.00 C ATOM 531 OG SER A 32 -7.812 0.846 5.575 1.00 0.00 O ATOM 0 H SER A 32 -7.949 -0.149 3.602 1.00 0.00 H new ATOM 0 HA SER A 32 -7.839 -2.478 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.035 -0.534 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.552 -0.673 6.163 1.00 0.00 H new ATOM 0 HG SER A 32 -7.169 1.016 4.856 1.00 0.00 H new ATOM 537 N VAL A 33 -10.108 -1.918 6.727 1.00 0.00 N ATOM 538 CA VAL A 33 -11.507 -2.027 7.127 1.00 0.00 C ATOM 539 C VAL A 33 -11.762 -1.358 8.469 1.00 0.00 C ATOM 540 O VAL A 33 -10.968 -1.481 9.402 1.00 0.00 O ATOM 541 CB VAL A 33 -11.975 -3.495 7.201 1.00 0.00 C ATOM 542 CG1 VAL A 33 -12.389 -3.988 5.825 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.899 -4.390 7.798 1.00 0.00 C ATOM 0 H VAL A 33 -9.436 -2.117 7.468 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.080 -1.513 6.356 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.842 -3.541 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.717 -5.025 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.207 -3.373 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.541 -3.920 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.260 -5.418 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.003 -4.343 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.662 -4.051 8.807 1.00 0.00 H new ATOM 553 N ILE A 34 -12.881 -0.647 8.559 1.00 0.00 N ATOM 554 CA ILE A 34 -13.249 0.046 9.780 1.00 0.00 C ATOM 555 C ILE A 34 -14.352 -0.699 10.526 1.00 0.00 C ATOM 556 O ILE A 34 -15.408 -0.994 9.968 1.00 0.00 O ATOM 557 CB ILE A 34 -13.704 1.498 9.492 1.00 0.00 C ATOM 558 CG1 ILE A 34 -14.379 2.104 10.734 1.00 0.00 C ATOM 559 CG2 ILE A 34 -14.617 1.564 8.270 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.890 1.992 10.750 1.00 0.00 C ATOM 0 H ILE A 34 -13.549 -0.538 7.796 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.359 0.079 10.408 1.00 0.00 H new ATOM 0 HB ILE A 34 -12.820 2.093 9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.982 1.613 11.623 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.105 3.157 10.802 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.918 2.597 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.083 1.189 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.502 0.953 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.279 2.445 11.662 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.302 2.509 9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.177 0.941 10.716 1.00 0.00 H new ATOM 572 N GLN A 35 -14.092 -0.994 11.794 1.00 0.00 N ATOM 573 CA GLN A 35 -15.052 -1.702 12.629 1.00 0.00 C ATOM 574 C GLN A 35 -14.627 -1.652 14.090 1.00 0.00 C ATOM 575 O GLN A 35 -13.441 -1.665 14.393 1.00 0.00 O ATOM 576 CB GLN A 35 -15.185 -3.155 12.171 1.00 0.00 C ATOM 577 CG GLN A 35 -16.620 -3.572 11.892 1.00 0.00 C ATOM 578 CD GLN A 35 -17.088 -4.698 12.792 1.00 0.00 C ATOM 579 OE1 GLN A 35 -17.115 -4.561 14.016 1.00 0.00 O ATOM 580 NE2 GLN A 35 -17.461 -5.821 12.189 1.00 0.00 N ATOM 0 H GLN A 35 -13.221 -0.753 12.267 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.021 -1.212 12.530 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.591 -3.299 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.767 -3.809 12.936 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -17.276 -2.711 12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.707 -3.884 10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.423 -5.891 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.786 -6.614 12.743 1.00 0.00 H new ATOM 589 N GLY A 36 -15.604 -1.593 14.989 1.00 0.00 N ATOM 590 CA GLY A 36 -15.313 -1.545 16.414 1.00 0.00 C ATOM 591 C GLY A 36 -14.251 -0.522 16.775 1.00 0.00 C ATOM 592 O GLY A 36 -13.287 -0.843 17.469 1.00 0.00 O ATOM 0 H GLY A 36 -16.597 -1.577 14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.229 -1.315 16.957 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.986 -2.531 16.744 1.00 0.00 H new ATOM 596 N ASN A 37 -14.429 0.712 16.305 1.00 0.00 N ATOM 597 CA ASN A 37 -13.475 1.783 16.587 1.00 0.00 C ATOM 598 C ASN A 37 -12.042 1.303 16.382 1.00 0.00 C ATOM 599 O ASN A 37 -11.120 1.769 17.052 1.00 0.00 O ATOM 600 CB ASN A 37 -13.646 2.284 18.023 1.00 0.00 C ATOM 601 CG ASN A 37 -15.033 2.835 18.288 1.00 0.00 C ATOM 602 OD1 ASN A 37 -15.671 3.395 17.397 1.00 0.00 O ATOM 603 ND2 ASN A 37 -15.504 2.680 19.520 1.00 0.00 N ATOM 0 H ASN A 37 -15.222 0.994 15.729 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.674 2.600 15.894 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.446 1.466 18.715 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.907 3.060 18.224 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.431 3.032 19.760 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.939 2.209 20.226 1.00 0.00 H new ATOM 610 N ARG A 38 -11.864 0.358 15.465 1.00 0.00 N ATOM 611 CA ARG A 38 -10.548 -0.193 15.188 1.00 0.00 C ATOM 612 C ARG A 38 -10.419 -0.604 13.726 1.00 0.00 C ATOM 613 O ARG A 38 -11.420 -0.828 13.046 1.00 0.00 O ATOM 614 CB ARG A 38 -10.288 -1.387 16.110 1.00 0.00 C ATOM 615 CG ARG A 38 -11.184 -2.585 15.862 1.00 0.00 C ATOM 616 CD ARG A 38 -11.542 -3.281 17.168 1.00 0.00 C ATOM 617 NE ARG A 38 -11.280 -4.718 17.118 1.00 0.00 N ATOM 618 CZ ARG A 38 -10.999 -5.458 18.190 1.00 0.00 C ATOM 619 NH1 ARG A 38 -10.942 -4.902 19.396 1.00 0.00 N ATOM 620 NH2 ARG A 38 -10.776 -6.758 18.057 1.00 0.00 N ATOM 0 H ARG A 38 -12.616 -0.040 14.903 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.800 0.577 15.379 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.249 -1.697 15.996 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.413 -1.065 17.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.094 -2.264 15.356 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.681 -3.288 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.970 -2.837 17.983 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.596 -3.113 17.390 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.314 -5.181 16.210 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.114 -3.903 19.505 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.726 -5.475 20.212 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.820 -7.191 17.135 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.561 -7.325 18.877 1.00 0.00 H new ATOM 634 N THR A 39 -9.182 -0.695 13.243 1.00 0.00 N ATOM 635 CA THR A 39 -8.936 -1.074 11.855 1.00 0.00 C ATOM 636 C THR A 39 -8.397 -2.504 11.767 1.00 0.00 C ATOM 637 O THR A 39 -7.311 -2.808 12.259 1.00 0.00 O ATOM 638 CB THR A 39 -7.986 -0.056 11.190 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.600 0.517 10.047 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.642 -0.614 10.749 1.00 0.00 C ATOM 0 H THR A 39 -8.340 -0.513 13.789 1.00 0.00 H new ATOM 0 HA THR A 39 -9.879 -1.057 11.309 1.00 0.00 H new ATOM 0 HB THR A 39 -7.792 0.677 11.973 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.943 1.055 9.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.050 0.180 10.294 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.112 -1.012 11.614 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.800 -1.411 10.022 1.00 0.00 H new ATOM 648 N PHE A 40 -9.176 -3.380 11.142 1.00 0.00 N ATOM 649 CA PHE A 40 -8.794 -4.781 10.984 1.00 0.00 C ATOM 650 C PHE A 40 -7.954 -4.963 9.722 1.00 0.00 C ATOM 651 O PHE A 40 -8.434 -5.489 8.719 1.00 0.00 O ATOM 652 CB PHE A 40 -10.051 -5.652 10.909 1.00 0.00 C ATOM 653 CG PHE A 40 -9.832 -7.099 11.228 1.00 0.00 C ATOM 654 CD1 PHE A 40 -8.819 -7.813 10.617 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.654 -7.750 12.137 1.00 0.00 C ATOM 656 CE1 PHE A 40 -8.626 -9.147 10.905 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.462 -9.086 12.429 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.446 -9.786 11.811 1.00 0.00 C ATOM 0 H PHE A 40 -10.081 -3.144 10.734 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.197 -5.085 11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.795 -5.251 11.597 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.470 -5.575 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.172 -7.321 9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.452 -7.206 12.621 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.831 -9.693 10.420 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.106 -9.582 13.140 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.293 -10.831 12.036 1.00 0.00 H new ATOM 668 N ILE A 41 -6.700 -4.524 9.772 1.00 0.00 N ATOM 669 CA ILE A 41 -5.816 -4.646 8.624 1.00 0.00 C ATOM 670 C ILE A 41 -5.448 -6.103 8.366 1.00 0.00 C ATOM 671 O ILE A 41 -4.847 -6.774 9.212 1.00 0.00 O ATOM 672 CB ILE A 41 -4.543 -3.782 8.783 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.818 -3.676 7.451 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.615 -4.340 9.844 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.579 -2.871 6.427 1.00 0.00 C ATOM 0 H ILE A 41 -6.278 -4.084 10.590 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.362 -4.271 7.758 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.852 -2.788 9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.841 -3.219 7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.641 -4.678 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.733 -3.705 9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.133 -4.367 10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.311 -5.350 9.567 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.010 -2.832 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.545 -3.340 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.733 -1.859 6.801 1.00 0.00 H new ATOM 687 N GLN A 42 -5.836 -6.586 7.189 1.00 0.00 N ATOM 688 CA GLN A 42 -5.575 -7.963 6.795 1.00 0.00 C ATOM 689 C GLN A 42 -4.544 -8.024 5.678 1.00 0.00 C ATOM 690 O GLN A 42 -3.677 -8.898 5.667 1.00 0.00 O ATOM 691 CB GLN A 42 -6.871 -8.641 6.341 1.00 0.00 C ATOM 692 CG GLN A 42 -7.961 -8.675 7.402 1.00 0.00 C ATOM 693 CD GLN A 42 -9.035 -9.697 7.089 1.00 0.00 C ATOM 694 OE1 GLN A 42 -8.784 -10.690 6.404 1.00 0.00 O ATOM 695 NE2 GLN A 42 -10.241 -9.458 7.587 1.00 0.00 N ATOM 0 H GLN A 42 -6.336 -6.038 6.489 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.178 -8.491 7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.251 -8.121 5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.646 -9.662 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.516 -8.904 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.415 -7.688 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.404 -8.623 8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.005 -10.109 7.408 1.00 0.00 H new ATOM 704 N ASN A 43 -4.642 -7.092 4.742 1.00 0.00 N ATOM 705 CA ASN A 43 -3.711 -7.046 3.625 1.00 0.00 C ATOM 706 C ASN A 43 -2.630 -6.002 3.874 1.00 0.00 C ATOM 707 O ASN A 43 -2.313 -5.204 2.992 1.00 0.00 O ATOM 708 CB ASN A 43 -4.450 -6.739 2.320 1.00 0.00 C ATOM 709 CG ASN A 43 -5.121 -7.965 1.733 1.00 0.00 C ATOM 710 OD1 ASN A 43 -4.855 -8.347 0.594 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.999 -8.591 2.510 1.00 0.00 N ATOM 0 H ASN A 43 -5.353 -6.361 4.733 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.238 -8.024 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.201 -5.970 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.746 -6.331 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.482 -9.422 2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.190 -8.241 3.449 1.00 0.00 H new ATOM 718 N PHE A 44 -2.064 -6.015 5.083 1.00 0.00 N ATOM 719 CA PHE A 44 -1.016 -5.065 5.443 1.00 0.00 C ATOM 720 C PHE A 44 0.032 -4.971 4.341 1.00 0.00 C ATOM 721 O PHE A 44 0.489 -3.889 4.019 1.00 0.00 O ATOM 722 CB PHE A 44 -0.342 -5.470 6.760 1.00 0.00 C ATOM 723 CG PHE A 44 0.292 -4.319 7.502 1.00 0.00 C ATOM 724 CD1 PHE A 44 1.095 -3.402 6.841 1.00 0.00 C ATOM 725 CD2 PHE A 44 0.083 -4.156 8.863 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.673 -2.347 7.518 1.00 0.00 C ATOM 727 CE2 PHE A 44 0.661 -3.102 9.546 1.00 0.00 C ATOM 728 CZ PHE A 44 1.457 -2.197 8.871 1.00 0.00 C ATOM 0 H PHE A 44 -2.314 -6.670 5.824 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.484 -4.089 5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.083 -5.942 7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.422 -6.219 6.551 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.271 -3.515 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.538 -4.861 9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.294 -1.640 6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.490 -2.986 10.606 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.909 -1.373 9.403 1.00 0.00 H new ATOM 738 N ARG A 45 0.400 -6.105 3.760 1.00 0.00 N ATOM 739 CA ARG A 45 1.396 -6.127 2.690 1.00 0.00 C ATOM 740 C ARG A 45 0.910 -5.374 1.453 1.00 0.00 C ATOM 741 O ARG A 45 1.582 -4.463 0.960 1.00 0.00 O ATOM 742 CB ARG A 45 1.747 -7.562 2.313 1.00 0.00 C ATOM 743 CG ARG A 45 0.536 -8.468 2.203 1.00 0.00 C ATOM 744 CD ARG A 45 0.609 -9.618 3.189 1.00 0.00 C ATOM 745 NE ARG A 45 1.691 -10.545 2.868 1.00 0.00 N ATOM 746 CZ ARG A 45 2.694 -10.836 3.693 1.00 0.00 C ATOM 747 NH1 ARG A 45 2.762 -10.282 4.900 1.00 0.00 N ATOM 748 NH2 ARG A 45 3.638 -11.685 3.309 1.00 0.00 N ATOM 0 H ARG A 45 0.027 -7.021 4.009 1.00 0.00 H new ATOM 0 HA ARG A 45 2.287 -5.625 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.278 -7.560 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.430 -7.969 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.370 -7.889 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.466 -8.861 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.755 -9.225 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.340 -10.155 3.191 1.00 0.00 H new ATOM 0 HE ARG A 45 1.677 -10.998 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.041 -9.627 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.535 -10.512 5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.594 -12.113 2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.408 -11.910 3.939 1.00 0.00 H new ATOM 762 N GLU A 46 -0.265 -5.753 0.962 1.00 0.00 N ATOM 763 CA GLU A 46 -0.841 -5.112 -0.211 1.00 0.00 C ATOM 764 C GLU A 46 -1.167 -3.661 0.087 1.00 0.00 C ATOM 765 O GLU A 46 -0.682 -2.749 -0.587 1.00 0.00 O ATOM 766 CB GLU A 46 -2.107 -5.842 -0.660 1.00 0.00 C ATOM 767 CG GLU A 46 -2.312 -5.823 -2.163 1.00 0.00 C ATOM 768 CD GLU A 46 -3.548 -6.585 -2.598 1.00 0.00 C ATOM 769 OE1 GLU A 46 -3.510 -7.834 -2.583 1.00 0.00 O ATOM 770 OE2 GLU A 46 -4.551 -5.934 -2.955 1.00 0.00 O ATOM 0 H GLU A 46 -0.835 -6.500 1.359 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.106 -5.156 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.061 -6.877 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.971 -5.386 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.390 -4.790 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.436 -6.252 -2.650 1.00 0.00 H new ATOM 777 N VAL A 47 -1.989 -3.453 1.104 1.00 0.00 N ATOM 778 CA VAL A 47 -2.380 -2.115 1.497 1.00 0.00 C ATOM 779 C VAL A 47 -1.158 -1.247 1.785 1.00 0.00 C ATOM 780 O VAL A 47 -1.172 -0.043 1.532 1.00 0.00 O ATOM 781 CB VAL A 47 -3.309 -2.145 2.730 1.00 0.00 C ATOM 782 CG1 VAL A 47 -2.560 -2.603 3.974 1.00 0.00 C ATOM 783 CG2 VAL A 47 -3.947 -0.785 2.946 1.00 0.00 C ATOM 0 H VAL A 47 -2.397 -4.197 1.671 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.927 -1.678 0.662 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.102 -2.869 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.241 -2.614 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.165 -3.606 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.737 -1.918 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.599 -0.823 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.168 -0.039 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.533 -0.514 2.068 1.00 0.00 H new ATOM 793 N ALA A 48 -0.098 -1.862 2.318 1.00 0.00 N ATOM 794 CA ALA A 48 1.122 -1.133 2.640 1.00 0.00 C ATOM 795 C ALA A 48 1.660 -0.425 1.412 1.00 0.00 C ATOM 796 O ALA A 48 1.674 0.799 1.340 1.00 0.00 O ATOM 797 CB ALA A 48 2.190 -2.059 3.208 1.00 0.00 C ATOM 0 H ALA A 48 -0.064 -2.859 2.533 1.00 0.00 H new ATOM 0 HA ALA A 48 0.870 -0.393 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.087 -1.483 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.818 -2.528 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.431 -2.829 2.475 1.00 0.00 H new ATOM 803 N ASP A 49 2.121 -1.216 0.456 1.00 0.00 N ATOM 804 CA ASP A 49 2.686 -0.680 -0.777 1.00 0.00 C ATOM 805 C ASP A 49 1.769 0.391 -1.367 1.00 0.00 C ATOM 806 O ASP A 49 2.147 1.557 -1.472 1.00 0.00 O ATOM 807 CB ASP A 49 2.903 -1.799 -1.794 1.00 0.00 C ATOM 808 CG ASP A 49 3.974 -1.455 -2.810 1.00 0.00 C ATOM 809 OD1 ASP A 49 5.171 -1.584 -2.479 1.00 0.00 O ATOM 810 OD2 ASP A 49 3.617 -1.059 -3.939 1.00 0.00 O ATOM 0 H ASP A 49 2.116 -2.235 0.509 1.00 0.00 H new ATOM 0 HA ASP A 49 3.648 -0.225 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.183 -2.713 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.966 -2.002 -2.312 1.00 0.00 H new ATOM 815 N ALA A 50 0.568 -0.011 -1.767 1.00 0.00 N ATOM 816 CA ALA A 50 -0.394 0.920 -2.358 1.00 0.00 C ATOM 817 C ALA A 50 -0.506 2.232 -1.566 1.00 0.00 C ATOM 818 O ALA A 50 -0.266 3.308 -2.112 1.00 0.00 O ATOM 819 CB ALA A 50 -1.753 0.250 -2.475 1.00 0.00 C ATOM 0 H ALA A 50 0.235 -0.972 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.029 1.183 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.466 0.947 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.670 -0.633 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.099 -0.046 -1.485 1.00 0.00 H new ATOM 825 N LEU A 51 -0.874 2.141 -0.283 1.00 0.00 N ATOM 826 CA LEU A 51 -1.017 3.319 0.553 1.00 0.00 C ATOM 827 C LEU A 51 0.338 3.999 0.777 1.00 0.00 C ATOM 828 O LEU A 51 0.405 5.119 1.283 1.00 0.00 O ATOM 829 CB LEU A 51 -1.665 2.939 1.900 1.00 0.00 C ATOM 830 CG LEU A 51 -1.357 3.892 3.057 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.817 5.290 2.706 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.999 3.416 4.361 1.00 0.00 C ATOM 0 H LEU A 51 -1.076 1.261 0.191 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.667 4.028 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.746 2.892 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.334 1.938 2.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.279 3.904 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.595 5.964 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.296 5.630 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.891 5.284 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.760 4.116 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.081 3.364 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.615 2.428 4.616 1.00 0.00 H new ATOM 844 N ASN A 52 1.417 3.318 0.397 1.00 0.00 N ATOM 845 CA ASN A 52 2.763 3.855 0.557 1.00 0.00 C ATOM 846 C ASN A 52 3.804 2.801 0.192 1.00 0.00 C ATOM 847 O ASN A 52 3.900 1.760 0.842 1.00 0.00 O ATOM 848 CB ASN A 52 2.975 4.323 1.999 1.00 0.00 C ATOM 849 CG ASN A 52 3.055 5.832 2.121 1.00 0.00 C ATOM 850 OD1 ASN A 52 2.499 6.419 3.049 1.00 0.00 O ATOM 851 ND2 ASN A 52 3.749 6.471 1.185 1.00 0.00 N ATOM 0 H ASN A 52 1.383 2.390 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 52 2.879 4.707 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.157 3.956 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.893 3.882 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.836 7.487 1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.194 5.946 0.433 1.00 0.00 H new ATOM 858 N ARG A 53 4.578 3.066 -0.856 1.00 0.00 N ATOM 859 CA ARG A 53 5.603 2.126 -1.301 1.00 0.00 C ATOM 860 C ARG A 53 6.511 1.718 -0.146 1.00 0.00 C ATOM 861 O ARG A 53 7.068 0.622 -0.135 1.00 0.00 O ATOM 862 CB ARG A 53 6.436 2.739 -2.432 1.00 0.00 C ATOM 863 CG ARG A 53 7.462 3.760 -1.960 1.00 0.00 C ATOM 864 CD ARG A 53 8.588 3.928 -2.966 1.00 0.00 C ATOM 865 NE ARG A 53 9.906 3.904 -2.334 1.00 0.00 N ATOM 866 CZ ARG A 53 10.283 4.735 -1.365 1.00 0.00 C ATOM 867 NH1 ARG A 53 9.454 5.670 -0.917 1.00 0.00 N ATOM 868 NH2 ARG A 53 11.500 4.641 -0.848 1.00 0.00 N ATOM 0 H ARG A 53 4.516 3.919 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 53 5.100 1.234 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.952 1.940 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.765 3.216 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.972 4.720 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.874 3.446 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.530 3.133 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.460 4.871 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 53 10.578 3.207 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.519 5.756 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.752 6.302 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.147 3.932 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.789 5.278 -0.105 1.00 0.00 H new ATOM 882 N ASP A 54 6.663 2.619 0.819 1.00 0.00 N ATOM 883 CA ASP A 54 7.511 2.368 1.974 1.00 0.00 C ATOM 884 C ASP A 54 6.755 1.597 3.057 1.00 0.00 C ATOM 885 O ASP A 54 5.674 2.006 3.480 1.00 0.00 O ATOM 886 CB ASP A 54 8.026 3.694 2.538 1.00 0.00 C ATOM 887 CG ASP A 54 9.540 3.756 2.591 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.158 2.781 3.069 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.108 4.780 2.155 1.00 0.00 O ATOM 0 H ASP A 54 6.208 3.532 0.822 1.00 0.00 H new ATOM 0 HA ASP A 54 8.355 1.758 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.654 4.515 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.625 3.838 3.541 1.00 0.00 H new ATOM 894 N PRO A 55 7.317 0.466 3.525 1.00 0.00 N ATOM 895 CA PRO A 55 6.688 -0.355 4.564 1.00 0.00 C ATOM 896 C PRO A 55 6.755 0.299 5.943 1.00 0.00 C ATOM 897 O PRO A 55 5.734 0.474 6.608 1.00 0.00 O ATOM 898 CB PRO A 55 7.505 -1.648 4.540 1.00 0.00 C ATOM 899 CG PRO A 55 8.841 -1.256 4.006 1.00 0.00 C ATOM 900 CD PRO A 55 8.605 -0.097 3.076 1.00 0.00 C ATOM 0 HA PRO A 55 5.625 -0.506 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.591 -2.078 5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.033 -2.400 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.515 -0.973 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.308 -2.088 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.407 0.638 3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.558 -0.423 2.037 1.00 0.00 H new ATOM 908 N GLN A 56 7.965 0.658 6.367 1.00 0.00 N ATOM 909 CA GLN A 56 8.172 1.291 7.663 1.00 0.00 C ATOM 910 C GLN A 56 7.351 2.571 7.793 1.00 0.00 C ATOM 911 O GLN A 56 7.077 3.034 8.902 1.00 0.00 O ATOM 912 CB GLN A 56 9.651 1.608 7.859 1.00 0.00 C ATOM 913 CG GLN A 56 10.528 0.374 7.973 1.00 0.00 C ATOM 914 CD GLN A 56 11.795 0.486 7.150 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.578 1.422 7.317 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.000 -0.468 6.252 1.00 0.00 N ATOM 0 H GLN A 56 8.819 0.519 5.827 1.00 0.00 H new ATOM 0 HA GLN A 56 7.842 0.594 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.998 2.214 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.768 2.211 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.791 0.214 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.964 -0.500 7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.324 -1.225 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.834 -0.445 5.665 1.00 0.00 H new ATOM 925 N HIS A 57 6.960 3.137 6.658 1.00 0.00 N ATOM 926 CA HIS A 57 6.165 4.357 6.657 1.00 0.00 C ATOM 927 C HIS A 57 4.748 4.063 7.120 1.00 0.00 C ATOM 928 O HIS A 57 4.290 4.597 8.129 1.00 0.00 O ATOM 929 CB HIS A 57 6.146 4.983 5.262 1.00 0.00 C ATOM 930 CG HIS A 57 5.706 6.413 5.254 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.588 7.471 5.306 1.00 0.00 N ATOM 932 CD2 HIS A 57 4.469 6.962 5.193 1.00 0.00 C ATOM 933 CE1 HIS A 57 5.918 8.607 5.277 1.00 0.00 C ATOM 934 NE2 HIS A 57 4.630 8.327 5.208 1.00 0.00 N ATOM 0 H HIS A 57 7.179 2.772 5.731 1.00 0.00 H new ATOM 0 HA HIS A 57 6.620 5.066 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.144 4.916 4.829 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.481 4.403 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.532 6.427 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.349 9.597 5.305 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.876 9.013 5.172 1.00 0.00 H new ATOM 942 N LEU A 58 4.056 3.207 6.372 1.00 0.00 N ATOM 943 CA LEU A 58 2.685 2.838 6.704 1.00 0.00 C ATOM 944 C LEU A 58 2.542 2.552 8.189 1.00 0.00 C ATOM 945 O LEU A 58 1.585 2.987 8.827 1.00 0.00 O ATOM 946 CB LEU A 58 2.246 1.613 5.911 1.00 0.00 C ATOM 947 CG LEU A 58 0.783 1.642 5.485 1.00 0.00 C ATOM 948 CD1 LEU A 58 0.676 1.827 3.984 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.066 0.375 5.934 1.00 0.00 C ATOM 0 H LEU A 58 4.423 2.757 5.533 1.00 0.00 H new ATOM 0 HA LEU A 58 2.047 3.682 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.871 1.525 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.421 0.721 6.513 1.00 0.00 H new ATOM 0 HG LEU A 58 0.296 2.489 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.374 1.846 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.148 2.767 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.177 1.001 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.977 0.416 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.546 -0.494 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.115 0.295 7.020 1.00 0.00 H new ATOM 961 N LEU A 59 3.506 1.826 8.734 1.00 0.00 N ATOM 962 CA LEU A 59 3.486 1.494 10.146 1.00 0.00 C ATOM 963 C LEU A 59 3.507 2.762 10.988 1.00 0.00 C ATOM 964 O LEU A 59 2.658 2.957 11.856 1.00 0.00 O ATOM 965 CB LEU A 59 4.667 0.589 10.498 1.00 0.00 C ATOM 966 CG LEU A 59 4.291 -0.876 10.741 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.975 -1.786 9.731 1.00 0.00 C ATOM 968 CD2 LEU A 59 4.631 -1.292 12.167 1.00 0.00 C ATOM 0 H LEU A 59 4.307 1.458 8.221 1.00 0.00 H new ATOM 0 HA LEU A 59 2.565 0.953 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.398 0.635 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.155 0.979 11.391 1.00 0.00 H new ATOM 0 HG LEU A 59 3.214 -0.976 10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.693 -2.821 9.924 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.667 -1.508 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.056 -1.682 9.821 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.355 -2.336 12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.701 -1.171 12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.080 -0.667 12.870 1.00 0.00 H new ATOM 980 N LYS A 60 4.476 3.627 10.715 1.00 0.00 N ATOM 981 CA LYS A 60 4.603 4.882 11.441 1.00 0.00 C ATOM 982 C LYS A 60 3.335 5.729 11.318 1.00 0.00 C ATOM 983 O LYS A 60 2.975 6.449 12.248 1.00 0.00 O ATOM 984 CB LYS A 60 5.813 5.670 10.932 1.00 0.00 C ATOM 985 CG LYS A 60 6.691 6.219 12.045 1.00 0.00 C ATOM 986 CD LYS A 60 7.955 6.863 11.498 1.00 0.00 C ATOM 987 CE LYS A 60 9.198 6.088 11.909 1.00 0.00 C ATOM 988 NZ LYS A 60 10.334 6.319 10.974 1.00 0.00 N ATOM 0 H LYS A 60 5.185 3.481 9.996 1.00 0.00 H new ATOM 0 HA LYS A 60 4.748 4.644 12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.414 5.024 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.464 6.497 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.129 6.953 12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.959 5.413 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.898 6.912 10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.028 7.889 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.492 6.382 12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.967 5.023 11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.161 5.773 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.063 6.015 10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.572 7.331 10.961 1.00 0.00 H new ATOM 1002 N PHE A 61 2.662 5.650 10.172 1.00 0.00 N ATOM 1003 CA PHE A 61 1.443 6.426 9.955 1.00 0.00 C ATOM 1004 C PHE A 61 0.294 5.908 10.814 1.00 0.00 C ATOM 1005 O PHE A 61 -0.439 6.693 11.418 1.00 0.00 O ATOM 1006 CB PHE A 61 1.035 6.407 8.475 1.00 0.00 C ATOM 1007 CG PHE A 61 1.258 7.709 7.741 1.00 0.00 C ATOM 1008 CD1 PHE A 61 1.327 8.921 8.419 1.00 0.00 C ATOM 1009 CD2 PHE A 61 1.394 7.716 6.361 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.528 10.106 7.736 1.00 0.00 C ATOM 1011 CE2 PHE A 61 1.595 8.899 5.674 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.662 10.095 6.363 1.00 0.00 C ATOM 0 H PHE A 61 2.937 5.062 9.385 1.00 0.00 H new ATOM 0 HA PHE A 61 1.658 7.453 10.249 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.594 5.620 7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.020 6.143 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.222 8.937 9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.342 6.785 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.580 11.039 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.700 8.888 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.819 11.020 5.827 1.00 0.00 H new ATOM 1022 N LEU A 62 0.132 4.589 10.868 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.940 3.994 11.656 1.00 0.00 C ATOM 1024 C LEU A 62 -0.827 4.416 13.119 1.00 0.00 C ATOM 1025 O LEU A 62 -1.818 4.773 13.744 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.912 2.465 11.548 1.00 0.00 C ATOM 1027 CG LEU A 62 -0.871 1.911 10.119 1.00 0.00 C ATOM 1028 CD1 LEU A 62 0.026 0.686 10.047 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -2.271 1.571 9.635 1.00 0.00 C ATOM 0 H LEU A 62 0.724 3.918 10.380 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.889 4.353 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.041 2.095 12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.793 2.065 12.050 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.459 2.681 9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.043 0.307 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.037 0.957 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.358 -0.086 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.220 1.180 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.711 0.820 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.888 2.469 9.647 1.00 0.00 H new ATOM 1041 N LEU A 63 0.388 4.387 13.658 1.00 0.00 N ATOM 1042 CA LEU A 63 0.614 4.778 15.048 1.00 0.00 C ATOM 1043 C LEU A 63 0.530 6.295 15.217 1.00 0.00 C ATOM 1044 O LEU A 63 0.105 6.788 16.261 1.00 0.00 O ATOM 1045 CB LEU A 63 1.981 4.287 15.526 1.00 0.00 C ATOM 1046 CG LEU A 63 2.262 2.802 15.283 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.640 2.616 14.667 1.00 0.00 C ATOM 1048 CD2 LEU A 63 2.146 2.017 16.581 1.00 0.00 C ATOM 0 H LEU A 63 1.229 4.098 13.157 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.168 4.317 15.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.754 4.873 15.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.068 4.487 16.594 1.00 0.00 H new ATOM 0 HG LEU A 63 1.518 2.420 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.824 1.555 14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.688 3.146 13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.397 3.014 15.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.349 0.964 16.388 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.867 2.399 17.303 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.138 2.125 16.983 1.00 0.00 H new ATOM 1060 N ARG A 64 0.948 7.020 14.188 1.00 0.00 N ATOM 1061 CA ARG A 64 0.932 8.485 14.222 1.00 0.00 C ATOM 1062 C ARG A 64 -0.497 9.024 14.287 1.00 0.00 C ATOM 1063 O ARG A 64 -0.733 10.116 14.803 1.00 0.00 O ATOM 1064 CB ARG A 64 1.648 9.056 12.996 1.00 0.00 C ATOM 1065 CG ARG A 64 3.157 9.193 13.165 1.00 0.00 C ATOM 1066 CD ARG A 64 3.535 9.915 14.452 1.00 0.00 C ATOM 1067 NE ARG A 64 2.653 11.044 14.748 1.00 0.00 N ATOM 1068 CZ ARG A 64 2.977 12.032 15.580 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.157 12.037 16.190 1.00 0.00 N ATOM 1070 NH2 ARG A 64 2.118 13.018 15.804 1.00 0.00 N ATOM 0 H ARG A 64 1.303 6.623 13.318 1.00 0.00 H new ATOM 0 HA ARG A 64 1.458 8.801 15.123 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.446 8.414 12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.228 10.035 12.767 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.612 8.202 13.161 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.567 9.736 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.505 9.209 15.282 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.562 10.272 14.375 1.00 0.00 H new ATOM 0 HE ARG A 64 1.741 11.076 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.821 11.281 16.022 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.399 12.797 16.826 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.210 13.019 15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.365 13.775 16.441 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.444 8.254 13.762 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.849 8.656 13.760 1.00 0.00 C ATOM 1086 C GLU A 65 -3.650 7.846 14.781 1.00 0.00 C ATOM 1087 O GLU A 65 -4.748 8.242 15.177 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.445 8.474 12.364 1.00 0.00 C ATOM 1089 CG GLU A 65 -4.791 9.155 12.173 1.00 0.00 C ATOM 1090 CD GLU A 65 -4.721 10.333 11.220 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -4.059 10.207 10.168 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -5.327 11.380 11.526 1.00 0.00 O ATOM 0 H GLU A 65 -1.266 7.347 13.332 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.904 9.708 14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.744 8.865 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.557 7.408 12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.510 8.429 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.161 9.496 13.140 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.092 6.712 15.203 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.742 5.840 16.180 1.00 0.00 C ATOM 1101 C LEU A 66 -3.703 6.466 17.573 1.00 0.00 C ATOM 1102 O LEU A 66 -2.641 6.544 18.191 1.00 0.00 O ATOM 1103 CB LEU A 66 -3.039 4.477 16.223 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.742 3.328 15.487 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.256 3.768 14.123 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.801 2.139 15.347 1.00 0.00 C ATOM 0 H LEU A 66 -2.185 6.374 14.881 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.780 5.708 15.876 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.040 4.593 15.802 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.913 4.189 17.267 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.605 3.028 16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.748 2.929 13.631 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.969 4.583 14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.420 4.108 13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.311 1.331 14.823 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.919 2.438 14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.498 1.796 16.336 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.855 6.901 18.069 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.904 7.497 19.392 1.00 0.00 C ATOM 1120 C GLY A 67 -4.902 6.451 20.489 1.00 0.00 C ATOM 1121 O GLY A 67 -4.465 6.713 21.610 1.00 0.00 O ATOM 0 H GLY A 67 -5.751 6.853 17.583 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.049 8.160 19.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.800 8.112 19.479 1.00 0.00 H new ATOM 1125 N THR A 68 -5.392 5.262 20.161 1.00 0.00 N ATOM 1126 CA THR A 68 -5.450 4.161 21.114 1.00 0.00 C ATOM 1127 C THR A 68 -4.173 3.327 21.055 1.00 0.00 C ATOM 1128 O THR A 68 -3.359 3.493 20.147 1.00 0.00 O ATOM 1129 CB THR A 68 -6.674 3.280 20.838 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.404 2.338 19.814 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.892 4.065 20.407 1.00 0.00 C ATOM 0 H THR A 68 -5.757 5.035 19.236 1.00 0.00 H new ATOM 0 HA THR A 68 -5.540 4.581 22.116 1.00 0.00 H new ATOM 0 HB THR A 68 -6.884 2.788 21.787 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.842 2.754 19.127 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.721 3.381 20.228 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.166 4.771 21.191 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.668 4.611 19.490 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.009 2.432 22.032 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.833 1.558 22.109 1.00 0.00 C ATOM 1141 C ALA A 69 -2.273 1.223 20.727 1.00 0.00 C ATOM 1142 O ALA A 69 -1.155 1.613 20.390 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.179 0.275 22.853 1.00 0.00 C ATOM 0 H ALA A 69 -4.681 2.292 22.787 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.061 2.101 22.655 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.298 -0.365 22.903 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.509 0.518 23.863 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.977 -0.247 22.326 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.058 0.505 19.930 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.621 0.139 18.594 1.00 0.00 C ATOM 1151 C GLY A 70 -1.754 -1.105 18.584 1.00 0.00 C ATOM 1152 O GLY A 70 -0.585 -1.060 18.971 1.00 0.00 O ATOM 0 H GLY A 70 -3.987 0.170 20.184 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.494 -0.026 17.963 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.065 0.969 18.158 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.321 -2.218 18.126 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.585 -3.473 18.050 1.00 0.00 C ATOM 1158 C ASN A 71 -2.315 -4.489 17.184 1.00 0.00 C ATOM 1159 O ASN A 71 -3.478 -4.307 16.833 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.349 -4.058 19.443 1.00 0.00 C ATOM 1161 CG ASN A 71 0.104 -4.433 19.662 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.481 -5.633 19.233 1.00 0.00 O flip ATOM 1163 ND2 ASN A 71 0.880 -3.653 20.212 1.00 0.00 N flip ATOM 0 H ASN A 71 -3.287 -2.275 17.803 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.620 -3.254 17.592 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.654 -3.333 20.197 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.975 -4.940 19.577 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.549 -2.741 20.526 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.855 -3.918 20.354 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.626 -5.571 16.865 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.204 -6.636 16.063 1.00 0.00 C ATOM 1172 C LEU A 72 -3.119 -7.512 16.919 1.00 0.00 C ATOM 1173 O LEU A 72 -2.647 -8.265 17.770 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.092 -7.494 15.446 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.049 -6.734 14.615 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.718 -5.730 13.692 1.00 0.00 C ATOM 1177 CD2 LEU A 72 0.951 -6.036 15.522 1.00 0.00 C ATOM 0 H LEU A 72 -0.661 -5.736 17.151 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.794 -6.186 15.264 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.576 -8.020 16.249 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.552 -8.252 14.812 1.00 0.00 H new ATOM 0 HG LEU A 72 0.486 -7.458 14.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.042 -5.204 13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.393 -6.253 13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.284 -5.012 14.285 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.682 -5.503 14.915 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.427 -5.328 16.164 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.462 -6.776 16.138 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.426 -7.430 16.674 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.394 -8.240 17.409 1.00 0.00 C ATOM 1191 C GLU A 73 -5.864 -9.400 16.535 1.00 0.00 C ATOM 1192 O GLU A 73 -5.782 -9.334 15.307 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.604 -7.402 17.849 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.300 -6.360 18.910 1.00 0.00 C ATOM 1195 CD GLU A 73 -7.006 -6.645 20.221 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -8.210 -6.329 20.330 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.354 -7.187 21.138 1.00 0.00 O ATOM 0 H GLU A 73 -4.837 -6.812 15.974 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.904 -8.625 18.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.019 -6.901 16.975 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.375 -8.073 18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.224 -6.323 19.081 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.599 -5.377 18.546 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.352 -10.459 17.170 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.829 -11.615 16.432 1.00 0.00 C ATOM 1206 C GLY A 74 -5.771 -12.220 15.527 1.00 0.00 C ATOM 1207 O GLY A 74 -4.628 -11.765 15.498 1.00 0.00 O ATOM 0 H GLY A 74 -6.426 -10.539 18.184 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.172 -12.372 17.137 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.691 -11.325 15.831 1.00 0.00 H new ATOM 1211 N GLY A 75 -6.163 -13.253 14.784 1.00 0.00 N ATOM 1212 CA GLY A 75 -5.244 -13.918 13.877 1.00 0.00 C ATOM 1213 C GLY A 75 -4.514 -12.950 12.959 1.00 0.00 C ATOM 1214 O GLY A 75 -3.323 -13.113 12.697 1.00 0.00 O ATOM 0 H GLY A 75 -7.106 -13.642 14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.513 -14.482 14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.795 -14.638 13.273 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.235 -11.949 12.460 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.662 -10.956 11.555 1.00 0.00 C ATOM 1220 C ARG A 76 -4.127 -9.741 12.322 1.00 0.00 C ATOM 1221 O ARG A 76 -3.776 -9.845 13.497 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.728 -10.514 10.561 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.188 -10.094 9.206 1.00 0.00 C ATOM 1224 CD ARG A 76 -4.396 -11.193 8.514 1.00 0.00 C ATOM 1225 NE ARG A 76 -5.104 -11.704 7.341 1.00 0.00 N ATOM 1226 CZ ARG A 76 -4.524 -12.007 6.178 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -3.216 -11.861 6.007 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -5.262 -12.468 5.177 1.00 0.00 N ATOM 0 H ARG A 76 -6.223 -11.804 12.669 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.823 -11.411 11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.436 -11.331 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.285 -9.681 10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.019 -9.795 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.551 -9.218 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.422 -10.807 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.214 -12.008 9.214 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.112 -11.838 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.638 -11.512 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.789 -12.098 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.267 -12.589 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.824 -12.701 4.286 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.064 -8.589 11.647 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.575 -7.365 12.253 1.00 0.00 C ATOM 1244 C ALA A 77 -4.727 -6.416 12.581 1.00 0.00 C ATOM 1245 O ALA A 77 -5.036 -5.511 11.816 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.582 -6.695 11.311 1.00 0.00 C ATOM 0 H ALA A 77 -4.350 -8.488 10.673 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.074 -7.612 13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.214 -5.775 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.745 -7.368 11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.076 -6.462 10.368 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.366 -6.626 13.720 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.478 -5.774 14.128 1.00 0.00 C ATOM 1254 C ILE A 78 -6.002 -4.692 15.097 1.00 0.00 C ATOM 1255 O ILE A 78 -5.905 -4.922 16.302 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.603 -6.589 14.793 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.923 -7.847 13.986 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.849 -5.736 14.984 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.638 -8.911 14.793 1.00 0.00 C ATOM 0 H ILE A 78 -5.138 -7.373 14.377 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.872 -5.308 13.225 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.252 -6.903 15.776 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.540 -7.574 13.130 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.996 -8.262 13.591 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.630 -6.333 15.455 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.612 -4.882 15.619 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.199 -5.381 14.015 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.835 -9.776 14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.013 -9.211 15.634 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.581 -8.512 15.166 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.696 -3.513 14.559 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.217 -2.394 15.371 1.00 0.00 C ATOM 1273 C LEU A 79 -6.373 -1.497 15.798 1.00 0.00 C ATOM 1274 O LEU A 79 -7.517 -1.737 15.423 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.193 -1.583 14.582 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.753 -0.930 13.323 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.304 0.452 13.640 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.690 -0.858 12.236 1.00 0.00 C ATOM 0 H LEU A 79 -5.771 -3.307 13.563 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.747 -2.796 16.268 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.783 -0.808 15.229 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.366 -2.235 14.303 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.572 -1.545 12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.700 0.903 12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.101 0.365 14.378 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.507 1.079 14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.110 -0.389 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.845 -0.269 12.592 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.352 -1.865 11.990 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.074 -0.468 16.590 1.00 0.00 N ATOM 1291 CA GLN A 80 -7.108 0.448 17.071 1.00 0.00 C ATOM 1292 C GLN A 80 -6.633 1.904 17.053 1.00 0.00 C ATOM 1293 O GLN A 80 -5.604 2.236 17.640 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.527 0.045 18.490 1.00 0.00 C ATOM 1295 CG GLN A 80 -9.002 -0.270 18.615 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.585 0.149 19.949 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -10.654 0.756 20.007 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -8.886 -0.175 21.029 1.00 0.00 N ATOM 0 H GLN A 80 -5.131 -0.248 16.911 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.963 0.377 16.399 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.950 -0.827 18.797 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.276 0.852 19.178 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.544 0.232 17.814 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.152 -1.341 18.479 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.004 -0.679 20.934 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.230 0.080 21.955 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.397 2.771 16.378 1.00 0.00 N ATOM 1308 CA GLY A 81 -7.036 4.179 16.304 1.00 0.00 C ATOM 1309 C GLY A 81 -7.941 4.987 15.387 1.00 0.00 C ATOM 1310 O GLY A 81 -9.167 4.901 15.476 1.00 0.00 O ATOM 0 H GLY A 81 -8.254 2.522 15.885 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.069 4.608 17.305 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.007 4.265 15.955 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.330 5.788 14.511 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.078 6.632 13.580 1.00 0.00 C ATOM 1316 C LYS A 82 -7.753 6.293 12.122 1.00 0.00 C ATOM 1317 O LYS A 82 -8.050 7.070 11.216 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.776 8.111 13.856 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.631 9.088 13.058 1.00 0.00 C ATOM 1320 CD LYS A 82 -10.119 8.796 13.199 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.777 9.727 14.205 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.673 9.206 15.595 1.00 0.00 N ATOM 0 H LYS A 82 -6.317 5.869 14.428 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.140 6.441 13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.919 8.306 14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.726 8.302 13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.428 10.105 13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.351 9.039 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.605 8.904 12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.260 7.762 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.309 10.710 14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.827 9.859 13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.163 9.853 16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.112 8.265 15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.671 9.136 15.866 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.155 5.125 11.896 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.814 4.693 10.544 1.00 0.00 C ATOM 1338 C PHE A 83 -7.890 3.752 10.013 1.00 0.00 C ATOM 1339 O PHE A 83 -7.597 2.688 9.468 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.443 4.014 10.528 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.409 4.798 9.773 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -3.703 5.809 10.387 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -4.158 4.523 8.447 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.760 6.539 9.687 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -3.218 5.242 7.737 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.516 6.255 8.358 1.00 0.00 C ATOM 0 H PHE A 83 -6.898 4.464 12.629 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.765 5.567 9.895 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.104 3.869 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.539 3.025 10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.888 6.034 11.427 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.705 3.732 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.215 7.331 10.179 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.032 5.013 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.780 6.822 7.808 1.00 0.00 H new ATOM 1356 N THR A 84 -9.139 4.157 10.201 1.00 0.00 N ATOM 1357 CA THR A 84 -10.287 3.370 9.775 1.00 0.00 C ATOM 1358 C THR A 84 -10.576 3.560 8.287 1.00 0.00 C ATOM 1359 O THR A 84 -11.604 4.120 7.906 1.00 0.00 O ATOM 1360 CB THR A 84 -11.497 3.767 10.615 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.506 5.165 10.843 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.524 3.082 11.965 1.00 0.00 C ATOM 0 H THR A 84 -9.384 5.038 10.652 1.00 0.00 H new ATOM 0 HA THR A 84 -10.066 2.313 9.924 1.00 0.00 H new ATOM 0 HB THR A 84 -12.372 3.455 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.527 5.636 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.407 3.403 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.557 2.002 11.824 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.628 3.348 12.526 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.654 3.088 7.458 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.774 3.198 6.009 1.00 0.00 C ATOM 1372 C HIS A 85 -9.900 4.660 5.595 1.00 0.00 C ATOM 1373 O HIS A 85 -10.602 4.994 4.638 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.996 2.408 5.526 1.00 0.00 C ATOM 1375 CG HIS A 85 -10.944 2.039 4.078 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.052 2.042 3.262 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -9.905 1.676 3.292 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -11.700 1.700 2.037 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -10.398 1.475 2.023 1.00 0.00 N ATOM 0 H HIS A 85 -8.803 2.619 7.770 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.876 2.783 5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.087 1.498 6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.894 2.999 5.709 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -13.000 2.273 3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -8.877 1.564 3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.364 1.618 1.189 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.184 5.523 6.310 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.171 6.950 6.016 1.00 0.00 C ATOM 1389 C PHE A 86 -8.008 7.310 5.096 1.00 0.00 C ATOM 1390 O PHE A 86 -8.147 7.326 3.872 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.115 7.766 7.308 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.472 8.160 7.810 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.428 7.195 8.069 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.793 9.490 8.017 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.683 7.545 8.524 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.047 9.849 8.474 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.993 8.876 8.728 1.00 0.00 C ATOM 0 H PHE A 86 -8.601 5.255 7.103 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.097 7.196 5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.604 7.186 8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.521 8.664 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.189 6.153 7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.057 10.255 7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.421 6.781 8.720 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.287 10.890 8.632 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.973 9.155 9.085 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.853 7.590 5.706 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.652 7.945 4.966 1.00 0.00 C ATOM 1409 C LEU A 87 -5.219 6.803 4.053 1.00 0.00 C ATOM 1410 O LEU A 87 -4.683 7.033 2.970 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.518 8.292 5.938 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.407 9.772 6.319 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.195 10.632 5.083 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.645 10.225 7.080 1.00 0.00 C ATOM 0 H LEU A 87 -6.730 7.576 6.718 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.877 8.815 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.653 7.709 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.573 7.977 5.495 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.541 9.891 6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.119 11.679 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.276 10.328 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.038 10.506 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.546 11.279 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.527 10.087 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.749 9.634 7.990 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.452 5.568 4.496 1.00 0.00 N ATOM 1427 CA ILE A 88 -5.073 4.403 3.707 1.00 0.00 C ATOM 1428 C ILE A 88 -5.736 4.442 2.335 1.00 0.00 C ATOM 1429 O ILE A 88 -5.059 4.508 1.310 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.467 3.087 4.422 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.996 3.099 5.877 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.886 1.885 3.697 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.510 1.928 6.692 1.00 0.00 C ATOM 0 H ILE A 88 -5.897 5.352 5.388 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.990 4.431 3.589 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.554 3.011 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.906 3.094 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.319 4.028 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.175 0.972 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.266 1.857 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.799 1.962 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.136 2.003 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.600 1.943 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.165 0.995 6.246 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.058 4.395 2.322 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.813 4.417 1.074 1.00 0.00 C ATOM 1447 C ASN A 89 -7.486 5.649 0.236 1.00 0.00 C ATOM 1448 O ASN A 89 -7.228 5.546 -0.963 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.311 4.385 1.362 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.138 4.186 0.107 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.661 3.099 -0.140 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -10.260 5.239 -0.691 1.00 0.00 N ATOM 0 H ASN A 89 -7.634 4.341 3.162 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.526 3.532 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.525 3.581 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.605 5.318 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.805 5.167 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.809 6.120 -0.445 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.522 6.815 0.870 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.256 8.073 0.177 1.00 0.00 C ATOM 1461 C GLU A 90 -5.922 8.039 -0.565 1.00 0.00 C ATOM 1462 O GLU A 90 -5.862 8.328 -1.760 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.272 9.235 1.174 1.00 0.00 C ATOM 1464 CG GLU A 90 -8.371 10.251 0.905 1.00 0.00 C ATOM 1465 CD GLU A 90 -7.842 11.667 0.785 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -6.776 11.954 1.368 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -8.493 12.488 0.106 1.00 0.00 O ATOM 0 H GLU A 90 -7.733 6.917 1.863 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.044 8.217 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.395 8.837 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.307 9.740 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.891 9.983 -0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.105 10.209 1.710 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.858 7.690 0.146 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.529 7.625 -0.453 1.00 0.00 C ATOM 1476 C ARG A 91 -3.472 6.555 -1.541 1.00 0.00 C ATOM 1477 O ARG A 91 -2.983 6.805 -2.643 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.491 7.327 0.625 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.611 8.508 0.991 1.00 0.00 C ATOM 1480 CD ARG A 91 -2.416 9.644 1.601 1.00 0.00 C ATOM 1481 NE ARG A 91 -1.844 10.949 1.283 1.00 0.00 N ATOM 1482 CZ ARG A 91 -0.591 11.303 1.568 1.00 0.00 C ATOM 1483 NH1 ARG A 91 0.210 10.480 2.235 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -0.141 12.496 1.205 1.00 0.00 N ATOM 0 H ARG A 91 -4.888 7.448 1.136 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.310 8.590 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.005 6.981 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.857 6.508 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.845 8.186 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.094 8.866 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.442 9.599 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.457 9.520 2.683 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.440 11.632 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.132 9.567 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.167 10.761 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.754 13.143 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.818 12.767 1.423 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.974 5.361 -1.225 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.978 4.254 -2.179 1.00 0.00 C ATOM 1500 C ILE A 92 -4.629 4.672 -3.491 1.00 0.00 C ATOM 1501 O ILE A 92 -4.020 4.589 -4.550 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.757 3.041 -1.627 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -4.110 2.510 -0.355 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.859 1.935 -2.668 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -5.092 1.796 0.543 1.00 0.00 C ATOM 0 H ILE A 92 -4.382 5.137 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.937 3.978 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.765 3.379 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.303 1.827 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.659 3.338 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.413 1.093 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.379 2.311 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.858 1.607 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.576 1.439 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.886 2.484 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.524 0.949 0.009 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.874 5.126 -3.402 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.620 5.557 -4.579 1.00 0.00 C ATOM 1519 C GLU A 93 -5.903 6.700 -5.286 1.00 0.00 C ATOM 1520 O GLU A 93 -6.051 6.887 -6.494 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.031 5.988 -4.177 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.012 4.831 -4.074 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.449 5.297 -3.936 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.746 6.436 -4.352 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.277 4.521 -3.413 1.00 0.00 O ATOM 0 H GLU A 93 -6.389 5.205 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.688 4.717 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.986 6.502 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.404 6.707 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.921 4.202 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.750 4.212 -3.216 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.124 7.462 -4.529 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.383 8.584 -5.088 1.00 0.00 C ATOM 1534 C ASP A 94 -3.338 8.096 -6.087 1.00 0.00 C ATOM 1535 O ASP A 94 -3.256 8.600 -7.205 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.704 9.382 -3.973 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.196 10.726 -4.457 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -4.031 11.582 -4.817 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -1.963 10.923 -4.476 1.00 0.00 O ATOM 0 H ASP A 94 -4.989 7.323 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.088 9.231 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.410 9.535 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.872 8.805 -3.571 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.543 7.112 -5.677 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.503 6.554 -6.536 1.00 0.00 C ATOM 1546 C TYR A 95 -2.059 5.445 -7.421 1.00 0.00 C ATOM 1547 O TYR A 95 -2.005 5.529 -8.642 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.347 6.009 -5.694 1.00 0.00 C ATOM 1549 CG TYR A 95 0.954 5.891 -6.455 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.472 6.973 -7.158 1.00 0.00 C ATOM 1551 CD2 TYR A 95 1.667 4.699 -6.470 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.662 6.869 -7.853 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.857 4.587 -7.162 1.00 0.00 C ATOM 1554 CZ TYR A 95 3.350 5.673 -7.852 1.00 0.00 C ATOM 1555 OH TYR A 95 4.536 5.566 -8.540 1.00 0.00 O ATOM 0 H TYR A 95 -2.599 6.684 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.135 7.357 -7.174 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.197 6.661 -4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.622 5.028 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.935 7.910 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.284 3.845 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.051 7.719 -8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.399 3.653 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 95 4.893 4.659 -8.437 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.596 4.406 -6.801 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.156 3.290 -7.544 1.00 0.00 C ATOM 1567 C VAL A 96 -4.242 3.750 -8.511 1.00 0.00 C ATOM 1568 O VAL A 96 -4.304 3.285 -9.649 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.732 2.205 -6.610 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.078 2.617 -6.030 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -3.857 0.892 -7.355 1.00 0.00 C ATOM 0 H VAL A 96 -2.656 4.313 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.332 2.858 -8.112 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.041 2.080 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.450 1.827 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.961 3.536 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.788 2.783 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.264 0.132 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.523 1.020 -8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.874 0.578 -7.706 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.090 4.670 -8.060 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.158 5.193 -8.892 1.00 0.00 C ATOM 1583 C ASN A 97 -5.905 6.654 -9.236 1.00 0.00 C ATOM 1584 O ASN A 97 -6.780 7.497 -9.071 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.509 5.036 -8.188 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.079 3.639 -8.335 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -7.341 2.667 -8.498 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.403 3.532 -8.285 1.00 0.00 N ATOM 0 H ASN A 97 -5.054 5.066 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.181 4.622 -9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.393 5.268 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.215 5.758 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.845 2.618 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.977 4.364 -8.148 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.707 6.953 -9.723 1.00 0.00 N ATOM 1596 CA LYS A 98 -4.365 8.320 -10.096 1.00 0.00 C ATOM 1597 C LYS A 98 -4.913 8.660 -11.485 1.00 0.00 C ATOM 1598 O LYS A 98 -4.779 9.787 -11.959 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.844 8.527 -10.048 1.00 0.00 C ATOM 1600 CG LYS A 98 -2.084 7.919 -11.223 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.854 7.151 -10.755 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.215 6.361 -11.888 1.00 0.00 C ATOM 1603 NZ LYS A 98 -0.687 4.948 -11.918 1.00 0.00 N ATOM 0 H LYS A 98 -3.961 6.273 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.827 8.995 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.637 9.597 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.461 8.097 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.743 7.250 -11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.781 8.709 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.125 7.849 -10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.135 6.471 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.445 6.841 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.869 6.379 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.228 4.445 -12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.445 4.482 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.718 4.929 -12.051 1.00 0.00 H new ATOM 1617 N PHE A 99 -5.526 7.669 -12.131 1.00 0.00 N ATOM 1618 CA PHE A 99 -6.090 7.840 -13.466 1.00 0.00 C ATOM 1619 C PHE A 99 -7.278 8.809 -13.480 1.00 0.00 C ATOM 1620 O PHE A 99 -7.302 9.750 -14.273 1.00 0.00 O ATOM 1621 CB PHE A 99 -6.492 6.476 -14.046 1.00 0.00 C ATOM 1622 CG PHE A 99 -7.677 5.821 -13.379 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -7.680 5.551 -12.017 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -8.785 5.457 -14.127 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -8.763 4.937 -11.419 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -9.871 4.844 -13.532 1.00 0.00 C ATOM 1627 CZ PHE A 99 -9.860 4.583 -12.177 1.00 0.00 C ATOM 0 H PHE A 99 -5.644 6.732 -11.746 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.317 8.284 -14.094 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.714 6.600 -15.106 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.638 5.803 -13.976 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.824 5.825 -11.417 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.800 5.655 -15.189 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.751 4.734 -10.358 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.729 4.569 -14.128 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.708 4.103 -11.711 1.00 0.00 H new ATOM 1637 N VAL A 100 -8.263 8.575 -12.618 1.00 0.00 N ATOM 1638 CA VAL A 100 -9.444 9.435 -12.555 1.00 0.00 C ATOM 1639 C VAL A 100 -9.277 10.535 -11.509 1.00 0.00 C ATOM 1640 O VAL A 100 -10.025 11.514 -11.496 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.710 8.616 -12.229 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.534 7.868 -10.917 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.940 9.512 -12.179 1.00 0.00 C ATOM 0 H VAL A 100 -8.269 7.800 -11.955 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.555 9.894 -13.537 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.860 7.886 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.436 7.295 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.684 7.191 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.356 8.582 -10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.819 8.911 -11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.806 10.271 -11.408 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.076 9.997 -13.146 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.295 10.366 -10.631 1.00 0.00 N ATOM 1654 CA ILE A 101 -8.029 11.336 -9.576 1.00 0.00 C ATOM 1655 C ILE A 101 -7.086 12.432 -10.059 1.00 0.00 C ATOM 1656 O ILE A 101 -7.422 13.616 -10.014 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.424 10.647 -8.340 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.283 9.446 -7.938 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -7.292 11.628 -7.184 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -9.679 9.821 -7.493 1.00 0.00 C ATOM 0 H ILE A 101 -7.667 9.562 -10.630 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.982 11.789 -9.303 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.425 10.293 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.352 8.760 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.786 8.908 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.862 11.118 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.643 12.453 -7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.276 12.017 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.229 8.920 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.620 10.482 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.195 10.332 -8.306 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.900 12.036 -10.513 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.910 12.994 -10.999 1.00 0.00 C ATOM 1674 C CYS A 102 -5.171 13.385 -12.451 1.00 0.00 C ATOM 1675 O CYS A 102 -4.235 13.657 -13.205 1.00 0.00 O ATOM 1676 CB CYS A 102 -3.501 12.416 -10.868 1.00 0.00 C ATOM 1677 SG CYS A 102 -2.188 13.633 -11.122 1.00 0.00 S ATOM 0 H CYS A 102 -5.601 11.062 -10.555 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.994 13.890 -10.385 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.389 11.976 -9.877 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.381 11.609 -11.591 1.00 0.00 H new ATOM 1682 N HIS A 103 -6.443 13.414 -12.842 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.821 13.774 -14.202 1.00 0.00 C ATOM 1684 C HIS A 103 -5.962 13.039 -15.228 1.00 0.00 C ATOM 1685 O HIS A 103 -5.421 13.647 -16.152 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.714 15.287 -14.400 1.00 0.00 C ATOM 1687 CG HIS A 103 -8.011 15.920 -14.798 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -8.105 16.926 -15.736 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -9.278 15.671 -14.390 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -9.372 17.269 -15.889 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -10.103 16.523 -15.083 1.00 0.00 N ATOM 0 H HIS A 103 -7.230 13.191 -12.232 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.857 13.471 -14.355 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.362 15.744 -13.475 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.965 15.495 -15.164 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.583 14.939 -13.657 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.745 18.030 -16.559 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.118 16.571 -14.989 1.00 0.00 H new ATOM 1699 N GLU A 104 -5.842 11.726 -15.049 1.00 0.00 N ATOM 1700 CA GLU A 104 -5.054 10.880 -15.946 1.00 0.00 C ATOM 1701 C GLU A 104 -3.736 11.543 -16.339 1.00 0.00 C ATOM 1702 O GLU A 104 -3.545 11.942 -17.488 1.00 0.00 O ATOM 1703 CB GLU A 104 -5.867 10.501 -17.194 1.00 0.00 C ATOM 1704 CG GLU A 104 -6.175 11.661 -18.131 1.00 0.00 C ATOM 1705 CD GLU A 104 -7.374 11.385 -19.017 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -8.315 10.711 -18.549 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -7.371 11.844 -20.178 1.00 0.00 O ATOM 0 H GLU A 104 -6.285 11.219 -14.283 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.811 9.967 -15.402 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.320 9.739 -17.749 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.807 10.050 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.360 12.560 -17.543 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.304 11.862 -18.755 1.00 0.00 H new ATOM 1714 N CYS A 105 -2.825 11.651 -15.376 1.00 0.00 N ATOM 1715 CA CYS A 105 -1.517 12.258 -15.616 1.00 0.00 C ATOM 1716 C CYS A 105 -0.618 11.318 -16.423 1.00 0.00 C ATOM 1717 O CYS A 105 0.556 11.138 -16.096 1.00 0.00 O ATOM 1718 CB CYS A 105 -0.844 12.598 -14.281 1.00 0.00 C ATOM 1719 SG CYS A 105 -0.092 14.243 -14.218 1.00 0.00 S ATOM 0 H CYS A 105 -2.968 11.326 -14.420 1.00 0.00 H new ATOM 0 HA CYS A 105 -1.666 13.172 -16.191 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.584 12.520 -13.485 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -0.075 11.853 -14.076 1.00 0.00 H new ATOM 1724 N ASN A 106 -1.164 10.733 -17.488 1.00 0.00 N ATOM 1725 CA ASN A 106 -0.406 9.831 -18.346 1.00 0.00 C ATOM 1726 C ASN A 106 0.579 10.604 -19.218 1.00 0.00 C ATOM 1727 O ASN A 106 1.783 10.618 -18.959 1.00 0.00 O ATOM 1728 CB ASN A 106 -1.361 9.021 -19.226 1.00 0.00 C ATOM 1729 CG ASN A 106 -2.002 7.870 -18.474 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -3.230 8.076 -18.015 1.00 0.00 O flip ATOM 1731 ND2 ASN A 106 -1.400 6.810 -18.307 1.00 0.00 N flip ATOM 0 H ASN A 106 -2.133 10.870 -17.776 1.00 0.00 H new ATOM 0 HA ASN A 106 0.162 9.152 -17.710 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.140 9.678 -19.613 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.816 8.631 -20.086 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.457 6.695 -18.678 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.844 6.046 -17.798 1.00 0.00 H new ATOM 1738 N ARG A 107 0.048 11.242 -20.257 1.00 0.00 N ATOM 1739 CA ARG A 107 0.858 12.020 -21.187 1.00 0.00 C ATOM 1740 C ARG A 107 1.289 13.344 -20.557 1.00 0.00 C ATOM 1741 O ARG A 107 0.524 13.953 -19.812 1.00 0.00 O ATOM 1742 CB ARG A 107 0.056 12.289 -22.465 1.00 0.00 C ATOM 1743 CG ARG A 107 0.877 12.191 -23.740 1.00 0.00 C ATOM 1744 CD ARG A 107 1.024 10.750 -24.203 1.00 0.00 C ATOM 1745 NE ARG A 107 1.772 10.653 -25.453 1.00 0.00 N ATOM 1746 CZ ARG A 107 1.322 11.096 -26.626 1.00 0.00 C ATOM 1747 NH1 ARG A 107 0.120 11.653 -26.719 1.00 0.00 N ATOM 1748 NH2 ARG A 107 2.074 10.976 -27.712 1.00 0.00 N ATOM 0 H ARG A 107 -0.948 11.234 -20.476 1.00 0.00 H new ATOM 0 HA ARG A 107 1.754 11.449 -21.430 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.769 11.579 -22.520 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.384 13.284 -22.403 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.402 12.779 -24.525 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.864 12.622 -23.572 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.530 10.171 -23.431 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.036 10.309 -24.336 1.00 0.00 H new ATOM 0 HE ARG A 107 2.695 10.220 -25.427 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.466 11.744 -25.889 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.218 11.990 -27.621 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.996 10.545 -27.649 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.730 11.315 -28.610 1.00 0.00 H new ATOM 1762 N PRO A 108 2.526 13.803 -20.842 1.00 0.00 N ATOM 1763 CA PRO A 108 3.050 15.061 -20.292 1.00 0.00 C ATOM 1764 C PRO A 108 2.158 16.259 -20.620 1.00 0.00 C ATOM 1765 O PRO A 108 2.525 17.121 -21.419 1.00 0.00 O ATOM 1766 CB PRO A 108 4.416 15.211 -20.970 1.00 0.00 C ATOM 1767 CG PRO A 108 4.799 13.827 -21.362 1.00 0.00 C ATOM 1768 CD PRO A 108 3.514 13.133 -21.709 1.00 0.00 C ATOM 0 HA PRO A 108 3.101 15.034 -19.204 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.357 15.866 -21.839 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.149 15.647 -20.291 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.481 13.835 -22.212 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.312 13.317 -20.547 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.267 13.247 -22.764 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.567 12.063 -21.508 1.00 0.00 H new ATOM 1776 N ASP A 109 0.992 16.304 -19.989 1.00 0.00 N ATOM 1777 CA ASP A 109 0.041 17.393 -20.197 1.00 0.00 C ATOM 1778 C ASP A 109 0.244 18.489 -19.157 1.00 0.00 C ATOM 1779 O ASP A 109 -0.289 19.592 -19.286 1.00 0.00 O ATOM 1780 CB ASP A 109 -1.393 16.859 -20.107 1.00 0.00 C ATOM 1781 CG ASP A 109 -2.281 17.385 -21.217 1.00 0.00 C ATOM 1782 OD1 ASP A 109 -1.779 17.555 -22.348 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -3.478 17.626 -20.955 1.00 0.00 O ATOM 0 H ASP A 109 0.679 15.596 -19.325 1.00 0.00 H new ATOM 0 HA ASP A 109 0.211 17.814 -21.188 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.374 15.770 -20.147 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.820 17.136 -19.143 1.00 0.00 H new ATOM 1788 N THR A 110 1.001 18.169 -18.114 1.00 0.00 N ATOM 1789 CA THR A 110 1.262 19.104 -17.034 1.00 0.00 C ATOM 1790 C THR A 110 2.702 18.981 -16.548 1.00 0.00 C ATOM 1791 O THR A 110 3.440 18.107 -17.001 1.00 0.00 O ATOM 1792 CB THR A 110 0.297 18.819 -15.886 1.00 0.00 C ATOM 1793 OG1 THR A 110 0.487 17.505 -15.391 1.00 0.00 O ATOM 1794 CG2 THR A 110 -1.156 18.947 -16.288 1.00 0.00 C ATOM 0 H THR A 110 1.447 17.259 -17.996 1.00 0.00 H new ATOM 0 HA THR A 110 1.114 20.120 -17.399 1.00 0.00 H new ATOM 0 HB THR A 110 0.518 19.567 -15.124 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.138 17.339 -14.655 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.791 18.732 -15.429 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.349 19.961 -16.638 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.376 18.240 -17.088 1.00 0.00 H new ATOM 1802 N ARG A 111 3.102 19.845 -15.619 1.00 0.00 N ATOM 1803 CA ARG A 111 4.454 19.805 -15.078 1.00 0.00 C ATOM 1804 C ARG A 111 4.509 18.892 -13.857 1.00 0.00 C ATOM 1805 O ARG A 111 4.119 19.285 -12.759 1.00 0.00 O ATOM 1806 CB ARG A 111 4.915 21.213 -14.695 1.00 0.00 C ATOM 1807 CG ARG A 111 5.164 22.119 -15.890 1.00 0.00 C ATOM 1808 CD ARG A 111 4.347 23.399 -15.803 1.00 0.00 C ATOM 1809 NE ARG A 111 4.664 24.324 -16.888 1.00 0.00 N ATOM 1810 CZ ARG A 111 5.785 25.039 -16.951 1.00 0.00 C ATOM 1811 NH1 ARG A 111 6.695 24.944 -15.989 1.00 0.00 N ATOM 1812 NH2 ARG A 111 5.997 25.851 -17.977 1.00 0.00 N ATOM 0 H ARG A 111 2.511 20.578 -15.227 1.00 0.00 H new ATOM 0 HA ARG A 111 5.121 19.411 -15.845 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.162 21.671 -14.054 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.831 21.139 -14.109 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.224 22.367 -15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.913 21.588 -16.808 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.285 23.154 -15.833 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.535 23.885 -14.846 1.00 0.00 H new ATOM 0 HE ARG A 111 3.986 24.428 -17.643 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.537 24.321 -15.197 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.552 25.494 -16.042 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.301 25.928 -18.719 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.856 26.399 -18.025 1.00 0.00 H new ATOM 1826 N ILE A 112 4.986 17.666 -14.058 1.00 0.00 N ATOM 1827 CA ILE A 112 5.084 16.693 -12.978 1.00 0.00 C ATOM 1828 C ILE A 112 6.531 16.511 -12.527 1.00 0.00 C ATOM 1829 O ILE A 112 7.457 16.593 -13.333 1.00 0.00 O ATOM 1830 CB ILE A 112 4.517 15.326 -13.409 1.00 0.00 C ATOM 1831 CG1 ILE A 112 3.184 15.508 -14.138 1.00 0.00 C ATOM 1832 CG2 ILE A 112 4.342 14.429 -12.198 1.00 0.00 C ATOM 1833 CD1 ILE A 112 3.297 15.406 -15.643 1.00 0.00 C ATOM 0 H ILE A 112 5.311 17.324 -14.962 1.00 0.00 H new ATOM 0 HA ILE A 112 4.496 17.081 -12.146 1.00 0.00 H new ATOM 0 HB ILE A 112 5.221 14.854 -14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.480 14.755 -13.783 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.768 16.481 -13.879 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.941 13.466 -12.514 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.307 14.279 -11.714 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.652 14.897 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.314 15.545 -16.092 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.976 16.176 -16.010 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.683 14.423 -15.913 1.00 0.00 H new ATOM 1845 N ILE A 113 6.719 16.270 -11.231 1.00 0.00 N ATOM 1846 CA ILE A 113 8.057 16.083 -10.667 1.00 0.00 C ATOM 1847 C ILE A 113 8.018 15.133 -9.476 1.00 0.00 C ATOM 1848 O ILE A 113 7.176 15.273 -8.595 1.00 0.00 O ATOM 1849 CB ILE A 113 8.674 17.420 -10.212 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.576 18.468 -11.324 1.00 0.00 C ATOM 1851 CG2 ILE A 113 10.124 17.220 -9.796 1.00 0.00 C ATOM 1852 CD1 ILE A 113 8.783 19.886 -10.837 1.00 0.00 C ATOM 0 H ILE A 113 5.962 16.199 -10.550 1.00 0.00 H new ATOM 0 HA ILE A 113 8.674 15.657 -11.458 1.00 0.00 H new ATOM 0 HB ILE A 113 8.112 17.782 -9.351 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.318 18.244 -12.090 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.597 18.394 -11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.546 18.173 -9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.171 16.509 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.695 16.835 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.700 20.575 -11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.025 20.129 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.773 19.976 -10.390 1.00 0.00 H new ATOM 1864 N ARG A 114 8.941 14.173 -9.452 1.00 0.00 N ATOM 1865 CA ARG A 114 9.018 13.201 -8.365 1.00 0.00 C ATOM 1866 C ARG A 114 10.433 13.144 -7.787 1.00 0.00 C ATOM 1867 O ARG A 114 11.409 13.062 -8.532 1.00 0.00 O ATOM 1868 CB ARG A 114 8.600 11.812 -8.867 1.00 0.00 C ATOM 1869 CG ARG A 114 8.185 10.854 -7.759 1.00 0.00 C ATOM 1870 CD ARG A 114 6.738 10.410 -7.913 1.00 0.00 C ATOM 1871 NE ARG A 114 6.478 9.830 -9.231 1.00 0.00 N ATOM 1872 CZ ARG A 114 6.767 8.573 -9.562 1.00 0.00 C ATOM 1873 NH1 ARG A 114 7.335 7.763 -8.687 1.00 0.00 N ATOM 1874 NH2 ARG A 114 6.489 8.125 -10.775 1.00 0.00 N ATOM 0 H ARG A 114 9.648 14.048 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 114 8.335 13.516 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.771 11.924 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.429 11.373 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.837 9.981 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.316 11.338 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.500 9.678 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.079 11.264 -7.756 1.00 0.00 H new ATOM 0 HE ARG A 114 6.049 10.425 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.556 8.099 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.553 6.802 -8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.052 8.743 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.711 7.162 -11.026 1.00 0.00 H new ATOM 1888 N GLU A 115 10.541 13.197 -6.459 1.00 0.00 N ATOM 1889 CA GLU A 115 11.845 13.157 -5.796 1.00 0.00 C ATOM 1890 C GLU A 115 11.901 12.053 -4.740 1.00 0.00 C ATOM 1891 O GLU A 115 10.903 11.760 -4.081 1.00 0.00 O ATOM 1892 CB GLU A 115 12.145 14.514 -5.153 1.00 0.00 C ATOM 1893 CG GLU A 115 13.490 14.573 -4.444 1.00 0.00 C ATOM 1894 CD GLU A 115 13.380 15.091 -3.023 1.00 0.00 C ATOM 1895 OE1 GLU A 115 12.529 14.577 -2.268 1.00 0.00 O ATOM 1896 OE2 GLU A 115 14.147 16.009 -2.664 1.00 0.00 O ATOM 0 H GLU A 115 9.746 13.267 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 115 12.600 12.937 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.117 15.285 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.357 14.749 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.933 13.577 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.166 15.215 -5.009 1.00 0.00 H new ATOM 1903 N GLY A 116 13.074 11.443 -4.587 1.00 0.00 N ATOM 1904 CA GLY A 116 13.237 10.378 -3.613 1.00 0.00 C ATOM 1905 C GLY A 116 12.873 9.016 -4.173 1.00 0.00 C ATOM 1906 O GLY A 116 12.870 8.021 -3.449 1.00 0.00 O ATOM 0 H GLY A 116 13.914 11.668 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.271 10.361 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.614 10.588 -2.743 1.00 0.00 H new ATOM 1910 N ARG A 117 12.563 8.969 -5.466 1.00 0.00 N ATOM 1911 CA ARG A 117 12.194 7.720 -6.118 1.00 0.00 C ATOM 1912 C ARG A 117 10.854 7.212 -5.602 1.00 0.00 C ATOM 1913 O ARG A 117 10.792 6.241 -4.848 1.00 0.00 O ATOM 1914 CB ARG A 117 13.278 6.655 -5.915 1.00 0.00 C ATOM 1915 CG ARG A 117 13.250 5.551 -6.963 1.00 0.00 C ATOM 1916 CD ARG A 117 13.318 6.110 -8.376 1.00 0.00 C ATOM 1917 NE ARG A 117 14.551 5.728 -9.059 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.596 5.002 -10.175 1.00 0.00 C ATOM 1919 NH1 ARG A 117 13.480 4.550 -10.736 1.00 0.00 N ATOM 1920 NH2 ARG A 117 15.767 4.723 -10.730 1.00 0.00 N ATOM 0 H ARG A 117 12.561 9.783 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 117 12.100 7.918 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 117 14.256 7.136 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 117 13.158 6.210 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 117 14.088 4.874 -6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.339 4.964 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 117 12.462 5.753 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.246 7.197 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 117 15.435 6.037 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.576 4.758 -10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.527 3.995 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 117 16.628 5.064 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 117 15.807 4.167 -11.585 1.00 0.00 H new ATOM 1934 N ILE A 118 9.780 7.881 -6.014 1.00 0.00 N ATOM 1935 CA ILE A 118 8.432 7.503 -5.598 1.00 0.00 C ATOM 1936 C ILE A 118 8.169 7.923 -4.159 1.00 0.00 C ATOM 1937 O ILE A 118 7.631 7.157 -3.359 1.00 0.00 O ATOM 1938 CB ILE A 118 8.184 5.984 -5.741 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.883 5.420 -6.987 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.689 5.697 -5.791 1.00 0.00 C ATOM 1941 CD1 ILE A 118 8.644 3.941 -7.198 1.00 0.00 C ATOM 0 H ILE A 118 9.817 8.688 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 118 7.743 8.026 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 118 8.609 5.488 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.537 5.964 -7.865 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.955 5.598 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.528 4.624 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.220 6.050 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.248 6.212 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.168 3.612 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.016 3.386 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.576 3.758 -7.314 1.00 0.00 H new ATOM 1953 N SER A 119 8.551 9.154 -3.841 1.00 0.00 N ATOM 1954 CA SER A 119 8.360 9.694 -2.503 1.00 0.00 C ATOM 1955 C SER A 119 7.492 10.946 -2.542 1.00 0.00 C ATOM 1956 O SER A 119 6.545 11.082 -1.767 1.00 0.00 O ATOM 1957 CB SER A 119 9.711 10.028 -1.869 1.00 0.00 C ATOM 1958 OG SER A 119 9.711 9.729 -0.485 1.00 0.00 O ATOM 0 H SER A 119 8.996 9.798 -4.495 1.00 0.00 H new ATOM 0 HA SER A 119 7.856 8.937 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.499 9.463 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.934 11.085 -2.016 1.00 0.00 H new ATOM 0 HG SER A 119 10.586 9.950 -0.103 1.00 0.00 H new ATOM 1964 N LEU A 120 7.828 11.864 -3.443 1.00 0.00 N ATOM 1965 CA LEU A 120 7.089 13.114 -3.573 1.00 0.00 C ATOM 1966 C LEU A 120 6.739 13.402 -5.025 1.00 0.00 C ATOM 1967 O LEU A 120 7.447 12.984 -5.933 1.00 0.00 O ATOM 1968 CB LEU A 120 7.914 14.259 -2.993 1.00 0.00 C ATOM 1969 CG LEU A 120 8.270 14.091 -1.519 1.00 0.00 C ATOM 1970 CD1 LEU A 120 9.560 14.823 -1.191 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.128 14.583 -0.646 1.00 0.00 C ATOM 0 H LEU A 120 8.607 11.765 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 120 6.155 13.020 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.835 14.356 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.361 15.190 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 120 8.427 13.032 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.795 14.690 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.371 14.420 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.440 15.885 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.393 14.458 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.942 15.637 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.229 14.007 -0.864 1.00 0.00 H new ATOM 1983 N LEU A 121 5.639 14.115 -5.235 1.00 0.00 N ATOM 1984 CA LEU A 121 5.193 14.452 -6.580 1.00 0.00 C ATOM 1985 C LEU A 121 4.370 15.740 -6.579 1.00 0.00 C ATOM 1986 O LEU A 121 3.501 15.917 -5.729 1.00 0.00 O ATOM 1987 CB LEU A 121 4.359 13.301 -7.149 1.00 0.00 C ATOM 1988 CG LEU A 121 4.227 13.285 -8.670 1.00 0.00 C ATOM 1989 CD1 LEU A 121 3.478 14.520 -9.144 1.00 0.00 C ATOM 1990 CD2 LEU A 121 5.600 13.198 -9.324 1.00 0.00 C ATOM 0 H LEU A 121 5.040 14.471 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 121 6.072 14.611 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.803 12.359 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.361 13.347 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 121 3.657 12.403 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.390 14.498 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.483 14.535 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.023 15.414 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 121 5.487 13.188 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.198 14.060 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.099 12.284 -9.003 1.00 0.00 H new ATOM 2002 N LYS A 122 4.652 16.638 -7.532 1.00 0.00 N ATOM 2003 CA LYS A 122 3.928 17.907 -7.630 1.00 0.00 C ATOM 2004 C LYS A 122 3.103 17.965 -8.921 1.00 0.00 C ATOM 2005 O LYS A 122 3.550 17.498 -9.969 1.00 0.00 O ATOM 2006 CB LYS A 122 4.903 19.087 -7.558 1.00 0.00 C ATOM 2007 CG LYS A 122 5.853 19.196 -8.742 1.00 0.00 C ATOM 2008 CD LYS A 122 5.935 20.626 -9.267 1.00 0.00 C ATOM 2009 CE LYS A 122 5.272 20.773 -10.630 1.00 0.00 C ATOM 2010 NZ LYS A 122 3.810 20.523 -10.564 1.00 0.00 N ATOM 0 H LYS A 122 5.373 16.508 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 122 3.241 17.975 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.330 20.011 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.491 19.001 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.846 18.860 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.518 18.534 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.457 21.301 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.980 20.927 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.452 21.777 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.728 20.076 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.559 19.758 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.548 20.247 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.298 21.389 -10.827 1.00 0.00 H new ATOM 2024 N CYS A 123 1.894 18.539 -8.844 1.00 0.00 N ATOM 2025 CA CYS A 123 1.021 18.647 -10.018 1.00 0.00 C ATOM 2026 C CYS A 123 0.233 19.959 -10.019 1.00 0.00 C ATOM 2027 O CYS A 123 -0.957 19.981 -10.336 1.00 0.00 O ATOM 2028 CB CYS A 123 0.061 17.459 -10.085 1.00 0.00 C ATOM 2029 SG CYS A 123 0.737 16.023 -10.957 1.00 0.00 S ATOM 0 H CYS A 123 1.502 18.932 -7.988 1.00 0.00 H new ATOM 0 HA CYS A 123 1.661 18.639 -10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.208 17.163 -9.071 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.858 17.774 -10.580 1.00 0.00 H new ATOM 2034 N GLU A 124 0.909 21.043 -9.664 1.00 0.00 N ATOM 2035 CA GLU A 124 0.298 22.369 -9.617 1.00 0.00 C ATOM 2036 C GLU A 124 -0.579 22.641 -10.840 1.00 0.00 C ATOM 2037 O GLU A 124 -1.567 23.371 -10.753 1.00 0.00 O ATOM 2038 CB GLU A 124 1.390 23.436 -9.528 1.00 0.00 C ATOM 2039 CG GLU A 124 2.036 23.534 -8.157 1.00 0.00 C ATOM 2040 CD GLU A 124 1.861 24.904 -7.528 1.00 0.00 C ATOM 2041 OE1 GLU A 124 0.703 25.296 -7.274 1.00 0.00 O ATOM 2042 OE2 GLU A 124 2.882 25.583 -7.291 1.00 0.00 O ATOM 0 H GLU A 124 1.894 21.031 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.340 22.406 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.160 23.218 -10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.962 24.404 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.604 22.779 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.099 23.311 -8.243 1.00 0.00 H new ATOM 2049 N ALA A 125 -0.210 22.065 -11.978 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.966 22.265 -13.211 1.00 0.00 C ATOM 2051 C ALA A 125 -2.324 21.574 -13.152 1.00 0.00 C ATOM 2052 O ALA A 125 -3.351 22.231 -12.975 1.00 0.00 O ATOM 2053 CB ALA A 125 -0.164 21.776 -14.402 1.00 0.00 C ATOM 0 H ALA A 125 0.604 21.458 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 125 -1.149 23.333 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -0.738 21.930 -15.315 1.00 0.00 H new ATOM 0 HB2 ALA A 125 0.772 22.332 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.052 20.714 -14.284 1.00 0.00 H new ATOM 2059 N CYS A 126 -2.334 20.250 -13.291 1.00 0.00 N ATOM 2060 CA CYS A 126 -3.584 19.491 -13.239 1.00 0.00 C ATOM 2061 C CYS A 126 -4.068 19.348 -11.797 1.00 0.00 C ATOM 2062 O CYS A 126 -4.495 18.272 -11.381 1.00 0.00 O ATOM 2063 CB CYS A 126 -3.405 18.104 -13.866 1.00 0.00 C ATOM 2064 SG CYS A 126 -2.362 16.978 -12.906 1.00 0.00 S ATOM 0 H CYS A 126 -1.499 19.683 -13.439 1.00 0.00 H new ATOM 0 HA CYS A 126 -4.333 20.040 -13.810 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.387 17.648 -13.996 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.973 18.221 -14.860 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.992 20.437 -11.037 1.00 0.00 N ATOM 2070 CA GLY A 127 -4.416 20.408 -9.653 1.00 0.00 C ATOM 2071 C GLY A 127 -3.302 20.799 -8.706 1.00 0.00 C ATOM 2072 O GLY A 127 -2.706 21.869 -8.843 1.00 0.00 O ATOM 0 H GLY A 127 -3.643 21.340 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.259 21.085 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.768 19.407 -9.403 1.00 0.00 H new ATOM 2076 N ALA A 128 -3.013 19.931 -7.746 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.958 20.188 -6.776 1.00 0.00 C ATOM 2078 C ALA A 128 -1.366 18.886 -6.257 1.00 0.00 C ATOM 2079 O ALA A 128 -2.052 17.868 -6.171 1.00 0.00 O ATOM 2080 CB ALA A 128 -2.483 21.026 -5.624 1.00 0.00 C ATOM 0 H ALA A 128 -3.495 19.041 -7.618 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.168 20.745 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.680 21.207 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.851 21.978 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.296 20.495 -5.129 1.00 0.00 H new ATOM 2086 N LYS A 129 -0.087 18.928 -5.920 1.00 0.00 N ATOM 2087 CA LYS A 129 0.610 17.757 -5.414 1.00 0.00 C ATOM 2088 C LYS A 129 1.777 18.177 -4.525 1.00 0.00 C ATOM 2089 O LYS A 129 2.291 19.284 -4.656 1.00 0.00 O ATOM 2090 CB LYS A 129 1.086 16.888 -6.575 1.00 0.00 C ATOM 2091 CG LYS A 129 0.696 15.431 -6.448 1.00 0.00 C ATOM 2092 CD LYS A 129 -0.678 15.176 -7.037 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.793 13.766 -7.585 1.00 0.00 C ATOM 2094 NZ LYS A 129 -1.448 12.847 -6.616 1.00 0.00 N ATOM 0 H LYS A 129 0.492 19.765 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 129 -0.078 17.168 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.677 17.284 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.171 16.959 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.433 14.809 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.704 15.140 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -1.438 15.334 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.873 15.894 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.364 13.783 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.200 13.389 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.508 11.894 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.889 12.811 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -2.405 13.193 -6.403 1.00 0.00 H new ATOM 2108 N ALA A 130 2.171 17.303 -3.605 1.00 0.00 N ATOM 2109 CA ALA A 130 3.260 17.605 -2.679 1.00 0.00 C ATOM 2110 C ALA A 130 4.633 17.394 -3.320 1.00 0.00 C ATOM 2111 O ALA A 130 5.078 16.258 -3.488 1.00 0.00 O ATOM 2112 CB ALA A 130 3.135 16.742 -1.433 1.00 0.00 C ATOM 0 H ALA A 130 1.754 16.381 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 130 3.179 18.658 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.950 16.973 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.182 16.944 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.183 15.690 -1.713 1.00 0.00 H new ATOM 2118 N PRO A 131 5.329 18.490 -3.682 1.00 0.00 N ATOM 2119 CA PRO A 131 6.657 18.411 -4.298 1.00 0.00 C ATOM 2120 C PRO A 131 7.732 17.967 -3.312 1.00 0.00 C ATOM 2121 O PRO A 131 8.536 17.084 -3.612 1.00 0.00 O ATOM 2122 CB PRO A 131 6.929 19.847 -4.754 1.00 0.00 C ATOM 2123 CG PRO A 131 6.110 20.694 -3.845 1.00 0.00 C ATOM 2124 CD PRO A 131 4.882 19.889 -3.519 1.00 0.00 C ATOM 0 HA PRO A 131 6.681 17.677 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.988 20.093 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.643 19.993 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.664 20.943 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 131 5.843 21.636 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.533 20.083 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.057 20.127 -4.190 1.00 0.00 H new ATOM 2132 N LEU A 132 7.754 18.595 -2.138 1.00 0.00 N ATOM 2133 CA LEU A 132 8.746 18.272 -1.121 1.00 0.00 C ATOM 2134 C LEU A 132 8.107 18.103 0.257 1.00 0.00 C ATOM 2135 O LEU A 132 8.020 16.993 0.781 1.00 0.00 O ATOM 2136 CB LEU A 132 9.823 19.360 -1.077 1.00 0.00 C ATOM 2137 CG LEU A 132 10.366 19.777 -2.447 1.00 0.00 C ATOM 2138 CD1 LEU A 132 10.480 21.291 -2.547 1.00 0.00 C ATOM 2139 CD2 LEU A 132 11.714 19.120 -2.715 1.00 0.00 C ATOM 0 H LEU A 132 7.097 19.328 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 132 9.204 17.320 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 132 9.412 20.239 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 132 10.653 19.007 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 132 9.662 19.438 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.868 21.563 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.496 21.740 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 132 11.158 21.657 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 132 12.082 19.430 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 132 12.426 19.423 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 132 11.601 18.036 -2.697 1.00 0.00 H new ATOM 2151 N LYS A 133 7.665 19.211 0.841 1.00 0.00 N ATOM 2152 CA LYS A 133 7.039 19.190 2.160 1.00 0.00 C ATOM 2153 C LYS A 133 6.254 20.476 2.394 1.00 0.00 C ATOM 2154 O LYS A 133 5.128 20.452 2.893 1.00 0.00 O ATOM 2155 CB LYS A 133 8.103 19.019 3.247 1.00 0.00 C ATOM 2156 CG LYS A 133 8.013 17.694 3.987 1.00 0.00 C ATOM 2157 CD LYS A 133 9.234 16.821 3.732 1.00 0.00 C ATOM 2158 CE LYS A 133 9.889 16.383 5.032 1.00 0.00 C ATOM 2159 NZ LYS A 133 11.374 16.344 4.924 1.00 0.00 N ATOM 0 H LYS A 133 7.728 20.138 0.421 1.00 0.00 H new ATOM 0 HA LYS A 133 6.350 18.346 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.090 19.105 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 133 8.010 19.833 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.916 17.881 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 133 7.114 17.163 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 133 8.940 15.942 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 133 9.955 17.371 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.602 17.067 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 133 9.520 15.396 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 11.780 16.041 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 11.650 15.673 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 11.730 17.292 4.685 1.00 0.00 H new ATOM 2173 N ASN A 134 6.860 21.593 2.015 1.00 0.00 N ATOM 2174 CA ASN A 134 6.234 22.900 2.156 1.00 0.00 C ATOM 2175 C ASN A 134 6.517 23.741 0.919 1.00 0.00 C ATOM 2176 O ASN A 134 7.314 23.342 0.071 1.00 0.00 O ATOM 2177 CB ASN A 134 6.746 23.607 3.412 1.00 0.00 C ATOM 2178 CG ASN A 134 6.403 22.850 4.680 1.00 0.00 C ATOM 2179 OD1 ASN A 134 5.238 22.549 4.942 1.00 0.00 O ATOM 2180 ND2 ASN A 134 7.418 22.536 5.475 1.00 0.00 N ATOM 0 H ASN A 134 7.793 21.619 1.604 1.00 0.00 H new ATOM 0 HA ASN A 134 5.157 22.767 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 134 7.827 23.726 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 134 6.318 24.608 3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 134 7.248 22.026 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 134 8.368 22.805 5.219 1.00 0.00 H new ATOM 2187 N VAL A 135 5.855 24.896 0.817 1.00 0.00 N ATOM 2188 CA VAL A 135 6.017 25.804 -0.327 1.00 0.00 C ATOM 2189 C VAL A 135 6.233 25.047 -1.642 1.00 0.00 C ATOM 2190 O VAL A 135 6.762 25.654 -2.596 1.00 0.00 O ATOM 2191 CB VAL A 135 7.179 26.805 -0.117 1.00 0.00 C ATOM 2192 CG1 VAL A 135 8.525 26.093 -0.057 1.00 0.00 C ATOM 2193 CG2 VAL A 135 7.177 27.860 -1.217 1.00 0.00 C ATOM 2194 OXT VAL A 135 5.866 23.855 -1.708 1.00 0.00 O ATOM 0 H VAL A 135 5.195 25.229 1.519 1.00 0.00 H new ATOM 0 HA VAL A 135 5.082 26.361 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 135 7.025 27.299 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 135 9.318 26.826 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 135 8.526 25.385 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 135 8.695 25.558 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 135 8.000 28.556 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.297 27.376 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 135 6.233 28.404 -1.198 1.00 0.00 H new TER 2204 VAL A 135 HETATM 2205 ZN ZN A 136 -0.976 15.220 -12.301 1.00 0.00 ZN