USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 794 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 104 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -86:sc= 0.186 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 22 THR OG1 : rot 3:sc= 0.975 USER MOD Single : A 27 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.22) USER MOD Single : A 28 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.3!) USER MOD Single : A 31 SER OG : rot 77:sc= 0.406 USER MOD Single : A 35 GLN : amide:sc= -4.98! C(o=-5!,f=-13!) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.32 F(o=-3.2,f=-1.3) USER MOD Single : A 48 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 49 THR OG1 : rot -99:sc= 2.06 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -105:sc= -3.32! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.118 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.58 F(o=-4.3,f=-2.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.151 F(o=-1.6,f=-0.15) USER MOD Single : A 79 HIS : no HD1:sc= -1.43! C(o=-1.4!,f=-4.5!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= 0.667 (180deg=0.232) USER MOD Single : A 86 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.6!) USER MOD Single : A 89 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-2.8!) USER MOD Single : A 93 SER OG : rot -150:sc= -0.966 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -2.11! C(o=-2.1!,f=-4!) USER MOD Single : A 103 SER OG : rot -60:sc= 0.362 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0299 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.949 -13.814 7.561 1.00 0.00 N ATOM 2 CA GLY A 1 -25.251 -13.739 6.291 1.00 0.00 C ATOM 3 C GLY A 1 -24.283 -14.888 6.093 1.00 0.00 C ATOM 4 O GLY A 1 -23.071 -14.684 6.026 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.599 -13.007 7.648 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.491 -14.701 7.608 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.259 -13.789 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.979 -13.737 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.707 -12.796 6.234 1.00 0.00 H new ATOM 8 N SER A 2 -24.818 -16.102 6.000 1.00 0.00 N ATOM 9 CA SER A 2 -23.992 -17.289 5.814 1.00 0.00 C ATOM 10 C SER A 2 -23.310 -17.269 4.450 1.00 0.00 C ATOM 11 O SER A 2 -23.910 -17.633 3.438 1.00 0.00 O ATOM 12 CB SER A 2 -24.842 -18.554 5.954 1.00 0.00 C ATOM 13 OG SER A 2 -24.128 -19.698 5.519 1.00 0.00 O ATOM 0 H SER A 2 -25.819 -16.289 6.050 1.00 0.00 H new ATOM 0 HA SER A 2 -23.222 -17.290 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.141 -18.682 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.756 -18.448 5.370 1.00 0.00 H new ATOM 0 HG SER A 2 -24.692 -20.493 5.620 1.00 0.00 H new ATOM 19 N SER A 3 -22.052 -16.840 4.430 1.00 0.00 N ATOM 20 CA SER A 3 -21.288 -16.768 3.190 1.00 0.00 C ATOM 21 C SER A 3 -22.066 -16.013 2.116 1.00 0.00 C ATOM 22 O SER A 3 -22.103 -16.423 0.957 1.00 0.00 O ATOM 23 CB SER A 3 -20.947 -18.174 2.694 1.00 0.00 C ATOM 24 OG SER A 3 -20.163 -18.874 3.645 1.00 0.00 O ATOM 0 H SER A 3 -21.540 -16.537 5.259 1.00 0.00 H new ATOM 0 HA SER A 3 -20.363 -16.228 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.866 -18.727 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.407 -18.109 1.750 1.00 0.00 H new ATOM 0 HG SER A 3 -19.960 -19.770 3.305 1.00 0.00 H new ATOM 30 N GLY A 4 -22.688 -14.906 2.512 1.00 0.00 N ATOM 31 CA GLY A 4 -23.457 -14.111 1.573 1.00 0.00 C ATOM 32 C GLY A 4 -22.927 -12.696 1.442 1.00 0.00 C ATOM 33 O GLY A 4 -22.021 -12.295 2.171 1.00 0.00 O ATOM 0 H GLY A 4 -22.673 -14.546 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.442 -14.593 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.497 -14.078 1.896 1.00 0.00 H new ATOM 37 N SER A 5 -23.492 -11.939 0.507 1.00 0.00 N ATOM 38 CA SER A 5 -23.068 -10.563 0.278 1.00 0.00 C ATOM 39 C SER A 5 -24.176 -9.583 0.651 1.00 0.00 C ATOM 40 O SER A 5 -25.274 -9.630 0.097 1.00 0.00 O ATOM 41 CB SER A 5 -22.670 -10.367 -1.186 1.00 0.00 C ATOM 42 OG SER A 5 -21.739 -9.307 -1.324 1.00 0.00 O ATOM 0 H SER A 5 -24.245 -12.256 -0.104 1.00 0.00 H new ATOM 0 HA SER A 5 -22.204 -10.365 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.237 -11.289 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.558 -10.156 -1.782 1.00 0.00 H new ATOM 0 HG SER A 5 -22.220 -8.456 -1.397 1.00 0.00 H new ATOM 48 N SER A 6 -23.880 -8.696 1.596 1.00 0.00 N ATOM 49 CA SER A 6 -24.851 -7.707 2.047 1.00 0.00 C ATOM 50 C SER A 6 -24.626 -6.367 1.352 1.00 0.00 C ATOM 51 O SER A 6 -24.672 -5.312 1.983 1.00 0.00 O ATOM 52 CB SER A 6 -24.762 -7.528 3.564 1.00 0.00 C ATOM 53 OG SER A 6 -25.453 -8.564 4.241 1.00 0.00 O ATOM 0 H SER A 6 -22.975 -8.642 2.064 1.00 0.00 H new ATOM 0 HA SER A 6 -25.846 -8.068 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.716 -7.522 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.182 -6.562 3.845 1.00 0.00 H new ATOM 0 HG SER A 6 -25.380 -8.428 5.209 1.00 0.00 H new ATOM 59 N GLY A 7 -24.382 -6.419 0.046 1.00 0.00 N ATOM 60 CA GLY A 7 -24.152 -5.205 -0.715 1.00 0.00 C ATOM 61 C GLY A 7 -22.858 -5.249 -1.502 1.00 0.00 C ATOM 62 O GLY A 7 -22.228 -6.301 -1.615 1.00 0.00 O ATOM 0 H GLY A 7 -24.340 -7.280 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.985 -5.046 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.131 -4.353 -0.036 1.00 0.00 H new ATOM 66 N SER A 8 -22.460 -4.105 -2.050 1.00 0.00 N ATOM 67 CA SER A 8 -21.235 -4.020 -2.836 1.00 0.00 C ATOM 68 C SER A 8 -20.081 -3.495 -1.988 1.00 0.00 C ATOM 69 O SER A 8 -19.239 -2.735 -2.467 1.00 0.00 O ATOM 70 CB SER A 8 -21.445 -3.112 -4.049 1.00 0.00 C ATOM 71 OG SER A 8 -22.444 -3.633 -4.909 1.00 0.00 O ATOM 0 H SER A 8 -22.968 -3.225 -1.964 1.00 0.00 H new ATOM 0 HA SER A 8 -20.983 -5.023 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.732 -2.115 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.508 -3.008 -4.596 1.00 0.00 H new ATOM 0 HG SER A 8 -22.561 -3.034 -5.676 1.00 0.00 H new ATOM 77 N ASP A 9 -20.049 -3.905 -0.725 1.00 0.00 N ATOM 78 CA ASP A 9 -18.999 -3.478 0.192 1.00 0.00 C ATOM 79 C ASP A 9 -18.177 -4.671 0.670 1.00 0.00 C ATOM 80 O ASP A 9 -18.573 -5.379 1.596 1.00 0.00 O ATOM 81 CB ASP A 9 -19.604 -2.747 1.391 1.00 0.00 C ATOM 82 CG ASP A 9 -18.556 -2.046 2.232 1.00 0.00 C ATOM 83 OD1 ASP A 9 -17.454 -1.780 1.707 1.00 0.00 O ATOM 84 OD2 ASP A 9 -18.836 -1.765 3.416 1.00 0.00 O ATOM 0 H ASP A 9 -20.739 -4.533 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.339 -2.796 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.331 -2.015 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.146 -3.460 2.012 1.00 0.00 H new ATOM 89 N ASP A 10 -17.032 -4.888 0.032 1.00 0.00 N ATOM 90 CA ASP A 10 -16.154 -5.995 0.392 1.00 0.00 C ATOM 91 C ASP A 10 -14.720 -5.511 0.587 1.00 0.00 C ATOM 92 O ASP A 10 -13.766 -6.244 0.329 1.00 0.00 O ATOM 93 CB ASP A 10 -16.197 -7.080 -0.685 1.00 0.00 C ATOM 94 CG ASP A 10 -17.328 -8.065 -0.469 1.00 0.00 C ATOM 95 OD1 ASP A 10 -18.417 -7.634 -0.036 1.00 0.00 O ATOM 96 OD2 ASP A 10 -17.125 -9.268 -0.734 1.00 0.00 O ATOM 0 H ASP A 10 -16.690 -4.312 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.508 -6.415 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.308 -6.613 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.248 -7.617 -0.694 1.00 0.00 H new ATOM 101 N ALA A 11 -14.577 -4.270 1.042 1.00 0.00 N ATOM 102 CA ALA A 11 -13.260 -3.688 1.271 1.00 0.00 C ATOM 103 C ALA A 11 -12.623 -4.254 2.536 1.00 0.00 C ATOM 104 O ALA A 11 -11.432 -4.063 2.781 1.00 0.00 O ATOM 105 CB ALA A 11 -13.361 -2.173 1.362 1.00 0.00 C ATOM 0 H ALA A 11 -15.356 -3.649 1.259 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.623 -3.949 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.370 -1.752 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.767 -1.779 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.018 -1.901 2.188 1.00 0.00 H new ATOM 111 N ARG A 12 -13.423 -4.951 3.335 1.00 0.00 N ATOM 112 CA ARG A 12 -12.937 -5.543 4.576 1.00 0.00 C ATOM 113 C ARG A 12 -12.117 -6.799 4.294 1.00 0.00 C ATOM 114 O ARG A 12 -11.460 -7.336 5.186 1.00 0.00 O ATOM 115 CB ARG A 12 -14.110 -5.883 5.498 1.00 0.00 C ATOM 116 CG ARG A 12 -15.232 -6.636 4.803 1.00 0.00 C ATOM 117 CD ARG A 12 -16.124 -7.355 5.803 1.00 0.00 C ATOM 118 NE ARG A 12 -17.220 -6.509 6.266 1.00 0.00 N ATOM 119 CZ ARG A 12 -17.102 -5.629 7.255 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.942 -5.481 7.880 1.00 0.00 N ATOM 121 NH2 ARG A 12 -18.145 -4.895 7.619 1.00 0.00 N ATOM 0 H ARG A 12 -14.411 -5.120 3.146 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.295 -4.814 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.744 -6.482 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.509 -4.960 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.830 -5.939 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.809 -7.359 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.531 -8.256 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.527 -7.674 6.657 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.126 -6.598 5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.138 -6.043 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.854 -4.805 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.039 -5.006 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.054 -4.220 8.378 1.00 0.00 H new ATOM 135 N ARG A 13 -12.161 -7.261 3.049 1.00 0.00 N ATOM 136 CA ARG A 13 -11.423 -8.454 2.650 1.00 0.00 C ATOM 137 C ARG A 13 -10.067 -8.082 2.058 1.00 0.00 C ATOM 138 O ARG A 13 -9.115 -8.861 2.122 1.00 0.00 O ATOM 139 CB ARG A 13 -12.231 -9.263 1.634 1.00 0.00 C ATOM 140 CG ARG A 13 -13.478 -9.905 2.219 1.00 0.00 C ATOM 141 CD ARG A 13 -14.561 -10.081 1.166 1.00 0.00 C ATOM 142 NE ARG A 13 -15.515 -11.124 1.531 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.219 -12.419 1.542 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.002 -12.828 1.211 1.00 0.00 N ATOM 145 NH2 ARG A 13 -16.142 -13.309 1.886 1.00 0.00 N ATOM 0 H ARG A 13 -12.700 -6.828 2.299 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.257 -9.062 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.521 -8.610 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.595 -10.042 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.223 -10.875 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.858 -9.288 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.090 -9.138 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.100 -10.330 0.210 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.460 -10.843 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.290 -12.148 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.778 -13.823 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.079 -12.999 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.914 -14.303 1.894 1.00 0.00 H new ATOM 159 N LEU A 14 -9.986 -6.888 1.482 1.00 0.00 N ATOM 160 CA LEU A 14 -8.746 -6.413 0.878 1.00 0.00 C ATOM 161 C LEU A 14 -7.589 -6.502 1.867 1.00 0.00 C ATOM 162 O LEU A 14 -7.748 -6.213 3.054 1.00 0.00 O ATOM 163 CB LEU A 14 -8.911 -4.970 0.397 1.00 0.00 C ATOM 164 CG LEU A 14 -10.112 -4.697 -0.510 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.327 -3.201 -0.676 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.919 -5.364 -1.865 1.00 0.00 C ATOM 0 H LEU A 14 -10.764 -6.231 1.420 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.519 -7.051 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.987 -4.323 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.005 -4.680 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.000 -5.121 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.186 -3.027 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.511 -2.749 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.439 -2.753 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.783 -5.159 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.020 -4.970 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.816 -6.441 -1.729 1.00 0.00 H new ATOM 178 N THR A 15 -6.422 -6.902 1.371 1.00 0.00 N ATOM 179 CA THR A 15 -5.238 -7.028 2.210 1.00 0.00 C ATOM 180 C THR A 15 -3.965 -6.790 1.405 1.00 0.00 C ATOM 181 O THR A 15 -3.982 -6.823 0.175 1.00 0.00 O ATOM 182 CB THR A 15 -5.162 -8.418 2.870 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.893 -8.587 3.512 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.365 -9.518 1.839 1.00 0.00 C ATOM 0 H THR A 15 -6.272 -7.144 0.392 1.00 0.00 H new ATOM 0 HA THR A 15 -5.320 -6.269 2.988 1.00 0.00 H new ATOM 0 HB THR A 15 -5.956 -8.487 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.853 -9.472 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.307 -10.490 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.344 -9.404 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.590 -9.449 1.076 1.00 0.00 H new ATOM 192 N VAL A 16 -2.862 -6.551 2.107 1.00 0.00 N ATOM 193 CA VAL A 16 -1.580 -6.310 1.457 1.00 0.00 C ATOM 194 C VAL A 16 -0.436 -6.934 2.249 1.00 0.00 C ATOM 195 O VAL A 16 -0.314 -6.725 3.456 1.00 0.00 O ATOM 196 CB VAL A 16 -1.310 -4.803 1.290 1.00 0.00 C ATOM 197 CG1 VAL A 16 -0.170 -4.569 0.310 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.571 -4.084 0.834 1.00 0.00 C ATOM 0 H VAL A 16 -2.831 -6.519 3.126 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.633 -6.774 0.472 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.015 -4.395 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.006 -3.498 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.734 -5.051 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.432 -4.990 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.363 -3.020 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.898 -4.493 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.357 -4.223 1.576 1.00 0.00 H new ATOM 208 N THR A 17 0.402 -7.703 1.560 1.00 0.00 N ATOM 209 CA THR A 17 1.536 -8.359 2.199 1.00 0.00 C ATOM 210 C THR A 17 2.853 -7.910 1.576 1.00 0.00 C ATOM 211 O THR A 17 3.763 -7.468 2.278 1.00 0.00 O ATOM 212 CB THR A 17 1.430 -9.893 2.095 1.00 0.00 C ATOM 213 OG1 THR A 17 1.277 -10.281 0.725 1.00 0.00 O ATOM 214 CG2 THR A 17 0.253 -10.410 2.908 1.00 0.00 C ATOM 0 H THR A 17 0.317 -7.886 0.560 1.00 0.00 H new ATOM 0 HA THR A 17 1.516 -8.071 3.250 1.00 0.00 H new ATOM 0 HB THR A 17 2.346 -10.327 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.212 -11.257 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.198 -11.495 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.386 -10.138 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.670 -9.968 2.533 1.00 0.00 H new ATOM 222 N SER A 18 2.948 -8.024 0.255 1.00 0.00 N ATOM 223 CA SER A 18 4.156 -7.632 -0.461 1.00 0.00 C ATOM 224 C SER A 18 4.736 -6.344 0.116 1.00 0.00 C ATOM 225 O SER A 18 5.950 -6.135 0.101 1.00 0.00 O ATOM 226 CB SER A 18 3.854 -7.446 -1.949 1.00 0.00 C ATOM 227 OG SER A 18 5.048 -7.408 -2.711 1.00 0.00 O ATOM 0 H SER A 18 2.203 -8.385 -0.341 1.00 0.00 H new ATOM 0 HA SER A 18 4.893 -8.427 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.221 -8.261 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.295 -6.522 -2.097 1.00 0.00 H new ATOM 0 HG SER A 18 4.828 -7.290 -3.659 1.00 0.00 H new ATOM 233 N LEU A 19 3.860 -5.485 0.625 1.00 0.00 N ATOM 234 CA LEU A 19 4.284 -4.216 1.208 1.00 0.00 C ATOM 235 C LEU A 19 5.301 -4.442 2.322 1.00 0.00 C ATOM 236 O LEU A 19 5.104 -5.290 3.192 1.00 0.00 O ATOM 237 CB LEU A 19 3.075 -3.454 1.753 1.00 0.00 C ATOM 238 CG LEU A 19 3.382 -2.164 2.514 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.966 -1.117 1.578 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.128 -1.634 3.194 1.00 0.00 C ATOM 0 H LEU A 19 2.853 -5.643 0.646 1.00 0.00 H new ATOM 0 HA LEU A 19 4.756 -3.624 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.417 -3.212 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.520 -4.119 2.414 1.00 0.00 H new ATOM 0 HG LEU A 19 4.122 -2.387 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.178 -0.206 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.889 -1.496 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.250 -0.898 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.366 -0.716 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.366 -1.428 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.753 -2.378 3.897 1.00 0.00 H new ATOM 252 N GLN A 20 6.387 -3.676 2.289 1.00 0.00 N ATOM 253 CA GLN A 20 7.434 -3.792 3.297 1.00 0.00 C ATOM 254 C GLN A 20 7.272 -2.726 4.376 1.00 0.00 C ATOM 255 O GLN A 20 7.872 -1.655 4.298 1.00 0.00 O ATOM 256 CB GLN A 20 8.813 -3.671 2.647 1.00 0.00 C ATOM 257 CG GLN A 20 9.909 -4.406 3.402 1.00 0.00 C ATOM 258 CD GLN A 20 9.602 -5.879 3.588 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.290 -6.325 4.692 1.00 0.00 O ATOM 260 NE2 GLN A 20 9.688 -6.643 2.505 1.00 0.00 N ATOM 0 H GLN A 20 6.564 -2.969 1.576 1.00 0.00 H new ATOM 0 HA GLN A 20 7.345 -4.773 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.761 -4.059 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.079 -2.617 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.850 -4.300 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.047 -3.941 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.950 -6.231 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.492 -7.642 2.569 1.00 0.00 H new ATOM 269 N GLU A 21 6.456 -3.028 5.381 1.00 0.00 N ATOM 270 CA GLU A 21 6.214 -2.094 6.475 1.00 0.00 C ATOM 271 C GLU A 21 7.516 -1.442 6.931 1.00 0.00 C ATOM 272 O GLU A 21 7.558 -0.245 7.218 1.00 0.00 O ATOM 273 CB GLU A 21 5.552 -2.813 7.652 1.00 0.00 C ATOM 274 CG GLU A 21 4.076 -3.104 7.435 1.00 0.00 C ATOM 275 CD GLU A 21 3.808 -3.809 6.119 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.466 -4.837 5.853 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.942 -3.334 5.356 1.00 0.00 O ATOM 0 H GLU A 21 5.952 -3.911 5.460 1.00 0.00 H new ATOM 0 HA GLU A 21 5.544 -1.314 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.076 -3.751 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.666 -2.204 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.707 -3.720 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.517 -2.169 7.462 1.00 0.00 H new ATOM 284 N THR A 22 8.579 -2.238 6.995 1.00 0.00 N ATOM 285 CA THR A 22 9.882 -1.740 7.418 1.00 0.00 C ATOM 286 C THR A 22 11.006 -2.401 6.627 1.00 0.00 C ATOM 287 O THR A 22 11.211 -3.611 6.715 1.00 0.00 O ATOM 288 CB THR A 22 10.116 -1.982 8.921 1.00 0.00 C ATOM 289 OG1 THR A 22 10.386 -3.368 9.158 1.00 0.00 O ATOM 290 CG2 THR A 22 8.904 -1.551 9.733 1.00 0.00 C ATOM 0 H THR A 22 8.563 -3.230 6.759 1.00 0.00 H new ATOM 0 HA THR A 22 9.888 -0.667 7.226 1.00 0.00 H new ATOM 0 HB THR A 22 10.974 -1.387 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.414 -3.847 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.092 -1.731 10.791 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.718 -0.489 9.573 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.032 -2.124 9.417 1.00 0.00 H new ATOM 298 N GLY A 23 11.732 -1.598 5.855 1.00 0.00 N ATOM 299 CA GLY A 23 12.827 -2.124 5.061 1.00 0.00 C ATOM 300 C GLY A 23 12.962 -1.422 3.724 1.00 0.00 C ATOM 301 O GLY A 23 13.917 -1.660 2.983 1.00 0.00 O ATOM 0 H GLY A 23 11.581 -0.593 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.758 -2.021 5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.672 -3.190 4.894 1.00 0.00 H new ATOM 305 N LEU A 24 12.004 -0.557 3.412 1.00 0.00 N ATOM 306 CA LEU A 24 12.019 0.181 2.154 1.00 0.00 C ATOM 307 C LEU A 24 13.136 1.219 2.144 1.00 0.00 C ATOM 308 O LEU A 24 13.405 1.867 3.156 1.00 0.00 O ATOM 309 CB LEU A 24 10.669 0.864 1.925 1.00 0.00 C ATOM 310 CG LEU A 24 9.468 -0.065 1.749 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.260 0.714 1.251 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.805 -1.199 0.793 1.00 0.00 C ATOM 0 H LEU A 24 11.207 -0.349 4.013 1.00 0.00 H new ATOM 0 HA LEU A 24 12.202 -0.529 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.471 1.525 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.749 1.494 1.039 1.00 0.00 H new ATOM 0 HG LEU A 24 9.222 -0.497 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.414 0.037 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.004 1.490 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.494 1.175 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.938 -1.850 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.078 -0.787 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.641 -1.774 1.191 1.00 0.00 H new ATOM 324 N LYS A 25 13.782 1.374 0.994 1.00 0.00 N ATOM 325 CA LYS A 25 14.868 2.336 0.850 1.00 0.00 C ATOM 326 C LYS A 25 14.368 3.632 0.219 1.00 0.00 C ATOM 327 O LYS A 25 13.352 3.643 -0.476 1.00 0.00 O ATOM 328 CB LYS A 25 15.993 1.743 -0.003 1.00 0.00 C ATOM 329 CG LYS A 25 17.032 0.984 0.804 1.00 0.00 C ATOM 330 CD LYS A 25 18.058 0.316 -0.096 1.00 0.00 C ATOM 331 CE LYS A 25 19.161 -0.349 0.714 1.00 0.00 C ATOM 332 NZ LYS A 25 20.162 0.640 1.203 1.00 0.00 N ATOM 0 H LYS A 25 13.572 0.845 0.147 1.00 0.00 H new ATOM 0 HA LYS A 25 15.253 2.561 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.560 1.072 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.486 2.547 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.536 1.669 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.538 0.230 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.565 -0.428 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.494 1.057 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.723 -0.873 1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.661 -1.099 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.897 0.148 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.599 1.122 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.690 1.341 1.809 1.00 0.00 H new ATOM 346 N VAL A 26 15.088 4.721 0.465 1.00 0.00 N ATOM 347 CA VAL A 26 14.718 6.022 -0.081 1.00 0.00 C ATOM 348 C VAL A 26 15.078 6.120 -1.559 1.00 0.00 C ATOM 349 O VAL A 26 16.136 5.656 -1.983 1.00 0.00 O ATOM 350 CB VAL A 26 15.410 7.168 0.682 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.921 7.001 0.641 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.998 8.514 0.106 1.00 0.00 C ATOM 0 H VAL A 26 15.931 4.729 1.039 1.00 0.00 H new ATOM 0 HA VAL A 26 13.638 6.118 0.034 1.00 0.00 H new ATOM 0 HB VAL A 26 15.093 7.132 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.392 7.820 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.195 6.053 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.260 7.011 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.495 9.313 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.285 8.563 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.918 8.632 0.193 1.00 0.00 H new ATOM 362 N ASN A 27 14.191 6.727 -2.340 1.00 0.00 N ATOM 363 CA ASN A 27 14.415 6.886 -3.772 1.00 0.00 C ATOM 364 C ASN A 27 14.472 5.530 -4.468 1.00 0.00 C ATOM 365 O ASN A 27 15.139 5.374 -5.490 1.00 0.00 O ATOM 366 CB ASN A 27 15.712 7.657 -4.024 1.00 0.00 C ATOM 367 CG ASN A 27 15.492 9.156 -4.086 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.619 9.637 -4.809 1.00 0.00 O ATOM 369 ND2 ASN A 27 16.285 9.903 -3.327 1.00 0.00 N ATOM 0 H ASN A 27 13.310 7.117 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 27 13.579 7.451 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.426 7.430 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.156 7.319 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.184 10.918 -3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.995 9.462 -2.743 1.00 0.00 H new ATOM 376 N GLN A 28 13.768 4.552 -3.906 1.00 0.00 N ATOM 377 CA GLN A 28 13.740 3.209 -4.473 1.00 0.00 C ATOM 378 C GLN A 28 12.327 2.830 -4.903 1.00 0.00 C ATOM 379 O GLN A 28 11.344 3.122 -4.221 1.00 0.00 O ATOM 380 CB GLN A 28 14.266 2.193 -3.457 1.00 0.00 C ATOM 381 CG GLN A 28 14.134 0.750 -3.916 1.00 0.00 C ATOM 382 CD GLN A 28 15.361 0.258 -4.657 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.181 1.052 -5.120 1.00 0.00 O ATOM 384 NE2 GLN A 28 15.496 -1.058 -4.773 1.00 0.00 N ATOM 0 H GLN A 28 13.210 4.665 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 28 14.383 3.199 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.315 2.406 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.727 2.318 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.957 0.112 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.262 0.657 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.793 -1.680 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.303 -1.447 -5.261 1.00 0.00 H new ATOM 393 N PRO A 29 12.220 2.164 -6.063 1.00 0.00 N ATOM 394 CA PRO A 29 10.931 1.730 -6.610 1.00 0.00 C ATOM 395 C PRO A 29 10.303 0.606 -5.794 1.00 0.00 C ATOM 396 O PRO A 29 10.583 -0.570 -6.020 1.00 0.00 O ATOM 397 CB PRO A 29 11.290 1.235 -8.014 1.00 0.00 C ATOM 398 CG PRO A 29 12.724 0.841 -7.920 1.00 0.00 C ATOM 399 CD PRO A 29 13.348 1.782 -6.928 1.00 0.00 C ATOM 0 HA PRO A 29 10.194 2.533 -6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.666 0.391 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.142 2.016 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.824 -0.194 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.214 0.916 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.143 1.298 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.789 2.649 -7.419 1.00 0.00 H new ATOM 407 N ALA A 30 9.451 0.977 -4.843 1.00 0.00 N ATOM 408 CA ALA A 30 8.781 -0.001 -3.994 1.00 0.00 C ATOM 409 C ALA A 30 7.354 -0.255 -4.470 1.00 0.00 C ATOM 410 O ALA A 30 6.508 0.638 -4.429 1.00 0.00 O ATOM 411 CB ALA A 30 8.781 0.469 -2.547 1.00 0.00 C ATOM 0 H ALA A 30 9.209 1.947 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 30 9.331 -0.940 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.278 -0.271 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.808 0.593 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.257 1.422 -2.474 1.00 0.00 H new ATOM 417 N SER A 31 7.095 -1.477 -4.922 1.00 0.00 N ATOM 418 CA SER A 31 5.772 -1.847 -5.410 1.00 0.00 C ATOM 419 C SER A 31 5.273 -3.113 -4.721 1.00 0.00 C ATOM 420 O SER A 31 6.063 -3.963 -4.310 1.00 0.00 O ATOM 421 CB SER A 31 5.804 -2.057 -6.925 1.00 0.00 C ATOM 422 OG SER A 31 4.834 -3.008 -7.329 1.00 0.00 O ATOM 0 H SER A 31 7.784 -2.228 -4.961 1.00 0.00 H new ATOM 0 HA SER A 31 5.086 -1.033 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.621 -1.109 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.796 -2.393 -7.228 1.00 0.00 H new ATOM 0 HG SER A 31 3.946 -2.593 -7.323 1.00 0.00 H new ATOM 428 N PHE A 32 3.955 -3.232 -4.598 1.00 0.00 N ATOM 429 CA PHE A 32 3.349 -4.394 -3.957 1.00 0.00 C ATOM 430 C PHE A 32 2.012 -4.738 -4.609 1.00 0.00 C ATOM 431 O PHE A 32 1.572 -4.066 -5.541 1.00 0.00 O ATOM 432 CB PHE A 32 3.148 -4.132 -2.463 1.00 0.00 C ATOM 433 CG PHE A 32 2.797 -2.706 -2.146 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.734 -1.698 -2.299 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.529 -2.375 -1.695 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.414 -0.385 -2.008 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.203 -1.064 -1.402 1.00 0.00 C ATOM 438 CZ PHE A 32 2.146 -0.068 -1.560 1.00 0.00 C ATOM 0 H PHE A 32 3.286 -2.539 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 32 4.024 -5.241 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.357 -4.784 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.060 -4.401 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.726 -1.940 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.787 -3.150 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.154 0.392 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.212 -0.819 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.893 0.957 -1.334 1.00 0.00 H new ATOM 448 N ALA A 33 1.372 -5.791 -4.111 1.00 0.00 N ATOM 449 CA ALA A 33 0.086 -6.225 -4.642 1.00 0.00 C ATOM 450 C ALA A 33 -0.983 -6.233 -3.555 1.00 0.00 C ATOM 451 O ALA A 33 -0.699 -6.524 -2.393 1.00 0.00 O ATOM 452 CB ALA A 33 0.213 -7.605 -5.270 1.00 0.00 C ATOM 0 H ALA A 33 1.723 -6.359 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.220 -5.515 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.755 -7.917 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.939 -7.570 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.546 -8.319 -4.516 1.00 0.00 H new ATOM 458 N VAL A 34 -2.214 -5.911 -3.939 1.00 0.00 N ATOM 459 CA VAL A 34 -3.326 -5.881 -2.997 1.00 0.00 C ATOM 460 C VAL A 34 -4.377 -6.925 -3.355 1.00 0.00 C ATOM 461 O VAL A 34 -5.096 -6.783 -4.343 1.00 0.00 O ATOM 462 CB VAL A 34 -3.991 -4.492 -2.957 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.030 -4.429 -1.848 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.942 -3.405 -2.778 1.00 0.00 C ATOM 0 H VAL A 34 -2.466 -5.667 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.914 -6.106 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.498 -4.323 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.489 -3.440 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.797 -5.183 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.550 -4.618 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.429 -2.430 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.405 -3.568 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.239 -3.437 -3.610 1.00 0.00 H new ATOM 474 N GLN A 35 -4.461 -7.975 -2.543 1.00 0.00 N ATOM 475 CA GLN A 35 -5.425 -9.044 -2.774 1.00 0.00 C ATOM 476 C GLN A 35 -6.843 -8.573 -2.469 1.00 0.00 C ATOM 477 O GLN A 35 -7.067 -7.813 -1.526 1.00 0.00 O ATOM 478 CB GLN A 35 -5.083 -10.262 -1.915 1.00 0.00 C ATOM 479 CG GLN A 35 -5.985 -11.459 -2.171 1.00 0.00 C ATOM 480 CD GLN A 35 -5.833 -12.016 -3.573 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.091 -11.472 -4.392 1.00 0.00 O ATOM 482 NE2 GLN A 35 -6.536 -13.105 -3.857 1.00 0.00 N ATOM 0 H GLN A 35 -3.873 -8.108 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.374 -9.325 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.049 -10.550 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.151 -9.985 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.758 -12.241 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.023 -11.168 -2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.138 -13.523 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.474 -13.525 -4.785 1.00 0.00 H new ATOM 491 N LEU A 36 -7.798 -9.030 -3.272 1.00 0.00 N ATOM 492 CA LEU A 36 -9.196 -8.656 -3.088 1.00 0.00 C ATOM 493 C LEU A 36 -9.942 -9.715 -2.284 1.00 0.00 C ATOM 494 O LEU A 36 -10.812 -9.396 -1.475 1.00 0.00 O ATOM 495 CB LEU A 36 -9.874 -8.457 -4.445 1.00 0.00 C ATOM 496 CG LEU A 36 -9.120 -7.587 -5.451 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.743 -7.708 -6.833 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.107 -6.135 -4.995 1.00 0.00 C ATOM 0 H LEU A 36 -7.630 -9.660 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.226 -7.718 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.038 -9.437 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.856 -8.015 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.090 -7.939 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.193 -7.082 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.700 -8.746 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.782 -7.382 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.566 -5.530 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.131 -5.771 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.614 -6.063 -4.025 1.00 0.00 H new ATOM 510 N ASN A 37 -9.594 -10.978 -2.511 1.00 0.00 N ATOM 511 CA ASN A 37 -10.230 -12.085 -1.807 1.00 0.00 C ATOM 512 C ASN A 37 -11.742 -12.058 -2.004 1.00 0.00 C ATOM 513 O ASN A 37 -12.502 -12.416 -1.105 1.00 0.00 O ATOM 514 CB ASN A 37 -9.897 -12.025 -0.314 1.00 0.00 C ATOM 515 CG ASN A 37 -8.409 -12.142 -0.048 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.762 -11.009 0.199 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.848 -13.237 -0.065 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.875 -11.260 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.845 -13.017 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.264 -11.086 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.420 -12.828 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.385 -14.082 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.846 -13.300 0.115 1.00 0.00 H new ATOM 524 N GLY A 38 -12.172 -11.631 -3.187 1.00 0.00 N ATOM 525 CA GLY A 38 -13.592 -11.566 -3.481 1.00 0.00 C ATOM 526 C GLY A 38 -14.048 -10.164 -3.832 1.00 0.00 C ATOM 527 O GLY A 38 -14.916 -9.981 -4.684 1.00 0.00 O ATOM 0 H GLY A 38 -11.563 -11.329 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.819 -12.237 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.155 -11.923 -2.619 1.00 0.00 H new ATOM 531 N ALA A 39 -13.461 -9.170 -3.171 1.00 0.00 N ATOM 532 CA ALA A 39 -13.812 -7.777 -3.418 1.00 0.00 C ATOM 533 C ALA A 39 -13.751 -7.451 -4.906 1.00 0.00 C ATOM 534 O ALA A 39 -12.809 -7.838 -5.598 1.00 0.00 O ATOM 535 CB ALA A 39 -12.890 -6.854 -2.634 1.00 0.00 C ATOM 0 H ALA A 39 -12.741 -9.304 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.837 -7.620 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.163 -5.817 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.987 -7.062 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.858 -7.021 -2.944 1.00 0.00 H new ATOM 541 N ARG A 40 -14.761 -6.737 -5.393 1.00 0.00 N ATOM 542 CA ARG A 40 -14.822 -6.360 -6.800 1.00 0.00 C ATOM 543 C ARG A 40 -15.096 -4.867 -6.951 1.00 0.00 C ATOM 544 O ARG A 40 -16.188 -4.391 -6.646 1.00 0.00 O ATOM 545 CB ARG A 40 -15.907 -7.164 -7.518 1.00 0.00 C ATOM 546 CG ARG A 40 -15.497 -8.592 -7.837 1.00 0.00 C ATOM 547 CD ARG A 40 -14.573 -8.650 -9.043 1.00 0.00 C ATOM 548 NE ARG A 40 -15.239 -8.208 -10.265 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.591 -7.876 -11.376 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.267 -7.935 -11.419 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.268 -7.484 -12.448 1.00 0.00 N ATOM 0 H ARG A 40 -15.548 -6.408 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.855 -6.582 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.804 -7.182 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.171 -6.655 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.997 -9.030 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.386 -9.193 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.699 -8.025 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.213 -9.670 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.257 -8.151 -10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.743 -8.236 -10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.773 -7.679 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.287 -7.437 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.770 -7.229 -13.301 1.00 0.00 H new ATOM 565 N GLY A 41 -14.094 -4.132 -7.425 1.00 0.00 N ATOM 566 CA GLY A 41 -14.246 -2.700 -7.608 1.00 0.00 C ATOM 567 C GLY A 41 -13.003 -2.055 -8.188 1.00 0.00 C ATOM 568 O GLY A 41 -12.380 -2.599 -9.099 1.00 0.00 O ATOM 0 H GLY A 41 -13.180 -4.503 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.092 -2.509 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.478 -2.237 -6.649 1.00 0.00 H new ATOM 572 N VAL A 42 -12.643 -0.889 -7.661 1.00 0.00 N ATOM 573 CA VAL A 42 -11.467 -0.168 -8.132 1.00 0.00 C ATOM 574 C VAL A 42 -10.553 0.211 -6.972 1.00 0.00 C ATOM 575 O VAL A 42 -11.011 0.712 -5.946 1.00 0.00 O ATOM 576 CB VAL A 42 -11.861 1.109 -8.898 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.631 1.948 -9.207 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.609 0.754 -10.175 1.00 0.00 C ATOM 0 H VAL A 42 -13.149 -0.424 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.934 -0.838 -8.807 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.525 1.700 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.930 2.846 -9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.141 2.232 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.940 1.369 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.880 1.668 -10.704 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.971 0.142 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.513 0.198 -9.925 1.00 0.00 H new ATOM 588 N ILE A 43 -9.258 -0.033 -7.143 1.00 0.00 N ATOM 589 CA ILE A 43 -8.279 0.284 -6.111 1.00 0.00 C ATOM 590 C ILE A 43 -7.576 1.605 -6.407 1.00 0.00 C ATOM 591 O ILE A 43 -7.126 1.843 -7.527 1.00 0.00 O ATOM 592 CB ILE A 43 -7.221 -0.828 -5.977 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.889 -2.155 -5.615 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.183 -0.448 -4.932 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.389 -2.211 -4.188 1.00 0.00 C ATOM 0 H ILE A 43 -8.863 -0.449 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.827 0.368 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.716 -0.947 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.726 -2.328 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.178 -2.966 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.442 -1.243 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.690 0.478 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.672 -0.305 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.851 -3.181 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.552 -2.070 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.124 -1.422 -4.029 1.00 0.00 H new ATOM 607 N ASP A 44 -7.485 2.460 -5.394 1.00 0.00 N ATOM 608 CA ASP A 44 -6.834 3.757 -5.544 1.00 0.00 C ATOM 609 C ASP A 44 -5.585 3.841 -4.673 1.00 0.00 C ATOM 610 O ASP A 44 -5.620 3.519 -3.486 1.00 0.00 O ATOM 611 CB ASP A 44 -7.803 4.882 -5.179 1.00 0.00 C ATOM 612 CG ASP A 44 -9.095 4.813 -5.968 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.944 3.956 -5.643 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.259 5.616 -6.910 1.00 0.00 O ATOM 0 H ASP A 44 -7.854 2.279 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.536 3.869 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.028 4.832 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.322 5.844 -5.358 1.00 0.00 H new ATOM 619 N ALA A 45 -4.481 4.277 -5.271 1.00 0.00 N ATOM 620 CA ALA A 45 -3.221 4.405 -4.550 1.00 0.00 C ATOM 621 C ALA A 45 -2.719 5.844 -4.573 1.00 0.00 C ATOM 622 O ALA A 45 -2.517 6.424 -5.640 1.00 0.00 O ATOM 623 CB ALA A 45 -2.176 3.470 -5.142 1.00 0.00 C ATOM 0 H ALA A 45 -4.434 4.548 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.396 4.125 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.240 3.576 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.525 2.440 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.013 3.723 -6.190 1.00 0.00 H new ATOM 629 N ARG A 46 -2.519 6.416 -3.390 1.00 0.00 N ATOM 630 CA ARG A 46 -2.042 7.789 -3.275 1.00 0.00 C ATOM 631 C ARG A 46 -1.198 7.968 -2.017 1.00 0.00 C ATOM 632 O ARG A 46 -1.645 7.674 -0.909 1.00 0.00 O ATOM 633 CB ARG A 46 -3.223 8.761 -3.252 1.00 0.00 C ATOM 634 CG ARG A 46 -3.798 9.055 -4.628 1.00 0.00 C ATOM 635 CD ARG A 46 -4.403 10.449 -4.693 1.00 0.00 C ATOM 636 NE ARG A 46 -5.644 10.542 -3.927 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.416 11.623 -3.908 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.078 12.695 -4.610 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.530 11.631 -3.187 1.00 0.00 N ATOM 0 H ARG A 46 -2.680 5.950 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.419 8.005 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.009 8.349 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.903 9.697 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.013 8.962 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.560 8.315 -4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.685 11.174 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.598 10.712 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.933 9.733 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.223 12.691 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.673 13.524 -4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.794 10.807 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.122 12.461 -3.173 1.00 0.00 H new ATOM 653 N VAL A 47 0.028 8.451 -2.197 1.00 0.00 N ATOM 654 CA VAL A 47 0.935 8.670 -1.078 1.00 0.00 C ATOM 655 C VAL A 47 0.934 10.132 -0.647 1.00 0.00 C ATOM 656 O VAL A 47 0.797 11.034 -1.474 1.00 0.00 O ATOM 657 CB VAL A 47 2.375 8.251 -1.432 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.433 6.769 -1.768 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.904 9.089 -2.586 1.00 0.00 C ATOM 0 H VAL A 47 0.415 8.698 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 47 0.577 8.052 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 47 3.010 8.427 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.458 6.492 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.097 6.188 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.786 6.564 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.922 8.780 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.269 8.947 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.901 10.142 -2.303 1.00 0.00 H new ATOM 669 N HIS A 48 1.089 10.361 0.654 1.00 0.00 N ATOM 670 CA HIS A 48 1.107 11.715 1.195 1.00 0.00 C ATOM 671 C HIS A 48 2.471 12.042 1.795 1.00 0.00 C ATOM 672 O HIS A 48 2.856 11.490 2.827 1.00 0.00 O ATOM 673 CB HIS A 48 0.018 11.877 2.256 1.00 0.00 C ATOM 674 CG HIS A 48 -1.372 11.759 1.711 1.00 0.00 C ATOM 675 ND1 HIS A 48 -2.224 12.835 1.582 1.00 0.00 N ATOM 676 CD2 HIS A 48 -2.057 10.683 1.258 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.373 12.426 1.075 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.298 11.124 0.869 1.00 0.00 N ATOM 0 H HIS A 48 1.204 9.626 1.352 1.00 0.00 H new ATOM 0 HA HIS A 48 0.913 12.409 0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.161 11.123 3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.130 12.850 2.734 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.695 9.667 1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.229 13.051 0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.041 10.541 0.484 1.00 0.00 H new ATOM 687 N THR A 49 3.199 12.942 1.142 1.00 0.00 N ATOM 688 CA THR A 49 4.521 13.341 1.610 1.00 0.00 C ATOM 689 C THR A 49 4.443 13.999 2.982 1.00 0.00 C ATOM 690 O THR A 49 3.464 14.664 3.324 1.00 0.00 O ATOM 691 CB THR A 49 5.195 14.314 0.624 1.00 0.00 C ATOM 692 OG1 THR A 49 4.454 15.538 0.559 1.00 0.00 O ATOM 693 CG2 THR A 49 5.290 13.699 -0.764 1.00 0.00 C ATOM 0 H THR A 49 2.896 13.409 0.287 1.00 0.00 H new ATOM 0 HA THR A 49 5.119 12.433 1.680 1.00 0.00 H new ATOM 0 HB THR A 49 6.204 14.519 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.876 15.529 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.769 14.405 -1.443 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.880 12.783 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.289 13.468 -1.129 1.00 0.00 H new ATOM 701 N PRO A 50 5.498 13.812 3.790 1.00 0.00 N ATOM 702 CA PRO A 50 5.573 14.381 5.139 1.00 0.00 C ATOM 703 C PRO A 50 5.731 15.898 5.120 1.00 0.00 C ATOM 704 O PRO A 50 5.557 16.562 6.141 1.00 0.00 O ATOM 705 CB PRO A 50 6.818 13.720 5.734 1.00 0.00 C ATOM 706 CG PRO A 50 7.659 13.366 4.555 1.00 0.00 C ATOM 707 CD PRO A 50 6.698 13.031 3.448 1.00 0.00 C ATOM 0 HA PRO A 50 4.663 14.198 5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.344 14.398 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.557 12.835 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.305 14.197 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.308 12.519 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.095 13.311 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.485 11.963 3.410 1.00 0.00 H new ATOM 715 N SER A 51 6.063 16.439 3.952 1.00 0.00 N ATOM 716 CA SER A 51 6.249 17.878 3.802 1.00 0.00 C ATOM 717 C SER A 51 4.904 18.592 3.710 1.00 0.00 C ATOM 718 O SER A 51 4.689 19.619 4.353 1.00 0.00 O ATOM 719 CB SER A 51 7.084 18.178 2.556 1.00 0.00 C ATOM 720 OG SER A 51 7.393 19.558 2.469 1.00 0.00 O ATOM 0 H SER A 51 6.209 15.903 3.096 1.00 0.00 H new ATOM 0 HA SER A 51 6.777 18.245 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.006 17.597 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.538 17.868 1.665 1.00 0.00 H new ATOM 0 HG SER A 51 7.928 19.723 1.665 1.00 0.00 H new ATOM 726 N GLY A 52 4.001 18.040 2.905 1.00 0.00 N ATOM 727 CA GLY A 52 2.688 18.637 2.743 1.00 0.00 C ATOM 728 C GLY A 52 2.249 18.687 1.293 1.00 0.00 C ATOM 729 O GLY A 52 1.528 19.598 0.887 1.00 0.00 O ATOM 0 H GLY A 52 4.155 17.190 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.960 18.068 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.699 19.648 3.151 1.00 0.00 H new ATOM 733 N ALA A 53 2.685 17.705 0.511 1.00 0.00 N ATOM 734 CA ALA A 53 2.331 17.640 -0.902 1.00 0.00 C ATOM 735 C ALA A 53 1.736 16.282 -1.257 1.00 0.00 C ATOM 736 O ALA A 53 2.331 15.240 -0.978 1.00 0.00 O ATOM 737 CB ALA A 53 3.551 17.926 -1.765 1.00 0.00 C ATOM 0 H ALA A 53 3.284 16.944 0.832 1.00 0.00 H new ATOM 0 HA ALA A 53 1.575 18.401 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.272 17.874 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.931 18.922 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.325 17.187 -1.558 1.00 0.00 H new ATOM 743 N VAL A 54 0.559 16.299 -1.874 1.00 0.00 N ATOM 744 CA VAL A 54 -0.116 15.069 -2.268 1.00 0.00 C ATOM 745 C VAL A 54 0.503 14.482 -3.531 1.00 0.00 C ATOM 746 O VAL A 54 0.306 15.000 -4.629 1.00 0.00 O ATOM 747 CB VAL A 54 -1.619 15.305 -2.508 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.300 14.017 -2.945 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.277 15.868 -1.257 1.00 0.00 C ATOM 0 H VAL A 54 0.053 17.152 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 54 0.007 14.364 -1.446 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.730 16.036 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.361 14.204 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.846 13.661 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.181 13.261 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.339 16.028 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.157 15.163 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.808 16.816 -0.994 1.00 0.00 H new ATOM 759 N GLU A 55 1.254 13.397 -3.366 1.00 0.00 N ATOM 760 CA GLU A 55 1.903 12.739 -4.494 1.00 0.00 C ATOM 761 C GLU A 55 0.962 11.735 -5.153 1.00 0.00 C ATOM 762 O GLU A 55 -0.091 11.406 -4.609 1.00 0.00 O ATOM 763 CB GLU A 55 3.180 12.033 -4.035 1.00 0.00 C ATOM 764 CG GLU A 55 4.404 12.934 -4.024 1.00 0.00 C ATOM 765 CD GLU A 55 4.745 13.471 -5.401 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.769 12.670 -6.360 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.990 14.689 -5.519 1.00 0.00 O ATOM 0 H GLU A 55 1.428 12.956 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 55 2.162 13.503 -5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.024 11.634 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.371 11.183 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.230 13.769 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.256 12.378 -3.633 1.00 0.00 H new ATOM 774 N GLU A 56 1.351 11.252 -6.329 1.00 0.00 N ATOM 775 CA GLU A 56 0.542 10.286 -7.063 1.00 0.00 C ATOM 776 C GLU A 56 1.269 8.950 -7.188 1.00 0.00 C ATOM 777 O GLU A 56 2.499 8.901 -7.217 1.00 0.00 O ATOM 778 CB GLU A 56 0.201 10.826 -8.454 1.00 0.00 C ATOM 779 CG GLU A 56 -0.907 11.866 -8.448 1.00 0.00 C ATOM 780 CD GLU A 56 -1.220 12.392 -9.836 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.278 12.826 -10.532 1.00 0.00 O ATOM 782 OE2 GLU A 56 -2.406 12.370 -10.224 1.00 0.00 O ATOM 0 H GLU A 56 2.221 11.514 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.381 10.126 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.097 11.264 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.095 9.995 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.808 11.429 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.617 12.697 -7.805 1.00 0.00 H new ATOM 789 N CYS A 57 0.500 7.870 -7.261 1.00 0.00 N ATOM 790 CA CYS A 57 1.070 6.532 -7.382 1.00 0.00 C ATOM 791 C CYS A 57 0.805 5.951 -8.767 1.00 0.00 C ATOM 792 O CYS A 57 0.259 6.626 -9.640 1.00 0.00 O ATOM 793 CB CYS A 57 0.490 5.610 -6.309 1.00 0.00 C ATOM 794 SG CYS A 57 0.917 6.085 -4.617 1.00 0.00 S ATOM 0 H CYS A 57 -0.519 7.894 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 57 2.148 6.609 -7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.595 5.594 -6.407 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.842 4.594 -6.489 1.00 0.00 H new ATOM 0 HG CYS A 57 1.824 5.277 -4.155 1.00 0.00 H new ATOM 800 N TYR A 58 1.196 4.697 -8.961 1.00 0.00 N ATOM 801 CA TYR A 58 1.004 4.025 -10.241 1.00 0.00 C ATOM 802 C TYR A 58 0.283 2.694 -10.055 1.00 0.00 C ATOM 803 O TYR A 58 0.858 1.727 -9.555 1.00 0.00 O ATOM 804 CB TYR A 58 2.352 3.797 -10.927 1.00 0.00 C ATOM 805 CG TYR A 58 2.230 3.366 -12.372 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.922 2.052 -12.702 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.424 4.273 -13.406 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.811 1.654 -14.020 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.313 3.884 -14.727 1.00 0.00 C ATOM 810 CZ TYR A 58 2.007 2.574 -15.029 1.00 0.00 C ATOM 811 OH TYR A 58 1.897 2.182 -16.344 1.00 0.00 O ATOM 0 H TYR A 58 1.648 4.125 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 58 0.387 4.666 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.935 4.717 -10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.907 3.038 -10.376 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.767 1.329 -11.914 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.666 5.300 -13.173 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.572 0.628 -14.259 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.465 4.602 -15.519 1.00 0.00 H new ATOM 0 HH TYR A 58 2.063 2.950 -16.929 1.00 0.00 H new ATOM 821 N VAL A 59 -0.982 2.652 -10.464 1.00 0.00 N ATOM 822 CA VAL A 59 -1.783 1.439 -10.345 1.00 0.00 C ATOM 823 C VAL A 59 -2.558 1.165 -11.629 1.00 0.00 C ATOM 824 O VAL A 59 -3.530 1.855 -11.939 1.00 0.00 O ATOM 825 CB VAL A 59 -2.775 1.535 -9.170 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.620 2.794 -9.286 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.654 0.295 -9.114 1.00 0.00 C ATOM 0 H VAL A 59 -1.473 3.443 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.090 0.618 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.208 1.593 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.315 2.845 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.971 3.670 -9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.181 2.771 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.349 0.379 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.215 0.204 -10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.029 -0.588 -8.979 1.00 0.00 H new ATOM 837 N SER A 60 -2.122 0.153 -12.372 1.00 0.00 N ATOM 838 CA SER A 60 -2.773 -0.211 -13.625 1.00 0.00 C ATOM 839 C SER A 60 -4.136 -0.845 -13.365 1.00 0.00 C ATOM 840 O SER A 60 -4.482 -1.152 -12.225 1.00 0.00 O ATOM 841 CB SER A 60 -1.892 -1.176 -14.420 1.00 0.00 C ATOM 842 OG SER A 60 -2.418 -1.395 -15.718 1.00 0.00 O ATOM 0 H SER A 60 -1.321 -0.429 -12.128 1.00 0.00 H new ATOM 0 HA SER A 60 -2.920 0.699 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.882 -0.773 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.817 -2.125 -13.890 1.00 0.00 H new ATOM 0 HG SER A 60 -1.836 -2.014 -16.207 1.00 0.00 H new ATOM 848 N GLU A 61 -4.906 -1.037 -14.432 1.00 0.00 N ATOM 849 CA GLU A 61 -6.232 -1.634 -14.319 1.00 0.00 C ATOM 850 C GLU A 61 -6.164 -2.978 -13.601 1.00 0.00 C ATOM 851 O GLU A 61 -5.118 -3.629 -13.573 1.00 0.00 O ATOM 852 CB GLU A 61 -6.854 -1.814 -15.705 1.00 0.00 C ATOM 853 CG GLU A 61 -6.081 -2.770 -16.599 1.00 0.00 C ATOM 854 CD GLU A 61 -6.938 -3.358 -17.703 1.00 0.00 C ATOM 855 OE1 GLU A 61 -7.580 -4.402 -17.465 1.00 0.00 O ATOM 856 OE2 GLU A 61 -6.967 -2.773 -18.806 1.00 0.00 O ATOM 0 H GLU A 61 -4.635 -0.788 -15.383 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.857 -0.960 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.874 -2.181 -15.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.917 -0.842 -16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.235 -2.244 -17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.672 -3.578 -15.993 1.00 0.00 H new ATOM 863 N LEU A 62 -7.286 -3.389 -13.019 1.00 0.00 N ATOM 864 CA LEU A 62 -7.355 -4.655 -12.299 1.00 0.00 C ATOM 865 C LEU A 62 -6.760 -5.787 -13.131 1.00 0.00 C ATOM 866 O LEU A 62 -6.965 -5.855 -14.343 1.00 0.00 O ATOM 867 CB LEU A 62 -8.806 -4.981 -11.939 1.00 0.00 C ATOM 868 CG LEU A 62 -9.087 -6.427 -11.529 1.00 0.00 C ATOM 869 CD1 LEU A 62 -8.839 -6.618 -10.041 1.00 0.00 C ATOM 870 CD2 LEU A 62 -10.515 -6.814 -11.887 1.00 0.00 C ATOM 0 H LEU A 62 -8.160 -2.863 -13.032 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.773 -4.556 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.113 -4.327 -11.123 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.435 -4.738 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.406 -7.079 -12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.044 -7.653 -9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.800 -6.381 -9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.495 -5.957 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.698 -7.846 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.211 -6.157 -11.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.659 -6.717 -12.963 1.00 0.00 H new ATOM 882 N ASP A 63 -6.024 -6.675 -12.471 1.00 0.00 N ATOM 883 CA ASP A 63 -5.401 -7.806 -13.148 1.00 0.00 C ATOM 884 C ASP A 63 -5.285 -9.004 -12.210 1.00 0.00 C ATOM 885 O ASP A 63 -4.741 -8.894 -11.112 1.00 0.00 O ATOM 886 CB ASP A 63 -4.018 -7.417 -13.672 1.00 0.00 C ATOM 887 CG ASP A 63 -3.448 -8.449 -14.625 1.00 0.00 C ATOM 888 OD1 ASP A 63 -4.145 -8.806 -15.598 1.00 0.00 O ATOM 889 OD2 ASP A 63 -2.306 -8.900 -14.398 1.00 0.00 O ATOM 0 H ASP A 63 -5.844 -6.633 -11.468 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.034 -8.086 -13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.083 -6.455 -14.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.337 -7.288 -12.831 1.00 0.00 H new ATOM 894 N SER A 64 -5.800 -10.147 -12.652 1.00 0.00 N ATOM 895 CA SER A 64 -5.758 -11.364 -11.850 1.00 0.00 C ATOM 896 C SER A 64 -6.245 -11.096 -10.429 1.00 0.00 C ATOM 897 O SER A 64 -5.623 -11.525 -9.457 1.00 0.00 O ATOM 898 CB SER A 64 -4.337 -11.929 -11.816 1.00 0.00 C ATOM 899 OG SER A 64 -4.351 -13.334 -11.628 1.00 0.00 O ATOM 0 H SER A 64 -6.251 -10.256 -13.560 1.00 0.00 H new ATOM 0 HA SER A 64 -6.421 -12.096 -12.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.824 -11.689 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.774 -11.457 -11.011 1.00 0.00 H new ATOM 0 HG SER A 64 -3.431 -13.671 -11.611 1.00 0.00 H new ATOM 905 N ASP A 65 -7.360 -10.383 -10.317 1.00 0.00 N ATOM 906 CA ASP A 65 -7.932 -10.057 -9.016 1.00 0.00 C ATOM 907 C ASP A 65 -6.870 -9.484 -8.083 1.00 0.00 C ATOM 908 O ASP A 65 -6.842 -9.793 -6.892 1.00 0.00 O ATOM 909 CB ASP A 65 -8.564 -11.299 -8.387 1.00 0.00 C ATOM 910 CG ASP A 65 -9.748 -11.813 -9.183 1.00 0.00 C ATOM 911 OD1 ASP A 65 -9.557 -12.177 -10.362 1.00 0.00 O ATOM 912 OD2 ASP A 65 -10.866 -11.849 -8.627 1.00 0.00 O ATOM 0 H ASP A 65 -7.886 -10.020 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.704 -9.302 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.813 -12.085 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.886 -11.065 -7.372 1.00 0.00 H new ATOM 917 N LYS A 66 -5.995 -8.648 -8.633 1.00 0.00 N ATOM 918 CA LYS A 66 -4.930 -8.031 -7.852 1.00 0.00 C ATOM 919 C LYS A 66 -4.475 -6.723 -8.491 1.00 0.00 C ATOM 920 O LYS A 66 -4.360 -6.624 -9.713 1.00 0.00 O ATOM 921 CB LYS A 66 -3.743 -8.989 -7.724 1.00 0.00 C ATOM 922 CG LYS A 66 -3.836 -9.916 -6.525 1.00 0.00 C ATOM 923 CD LYS A 66 -2.507 -10.597 -6.243 1.00 0.00 C ATOM 924 CE LYS A 66 -2.681 -11.801 -5.330 1.00 0.00 C ATOM 925 NZ LYS A 66 -1.480 -12.681 -5.337 1.00 0.00 N ATOM 0 H LYS A 66 -6.003 -8.382 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.321 -7.813 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.671 -9.589 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.824 -8.408 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.148 -9.348 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.602 -10.671 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.053 -10.914 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.823 -9.885 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.876 -11.460 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.553 -12.374 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.638 -13.490 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.309 -13.027 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.653 -12.142 -5.011 1.00 0.00 H new ATOM 939 N HIS A 67 -4.216 -5.721 -7.656 1.00 0.00 N ATOM 940 CA HIS A 67 -3.771 -4.419 -8.140 1.00 0.00 C ATOM 941 C HIS A 67 -2.336 -4.138 -7.703 1.00 0.00 C ATOM 942 O HIS A 67 -1.991 -4.294 -6.531 1.00 0.00 O ATOM 943 CB HIS A 67 -4.698 -3.317 -7.626 1.00 0.00 C ATOM 944 CG HIS A 67 -6.040 -3.305 -8.290 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.174 -3.988 -8.006 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.330 -2.524 -9.388 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.119 -3.609 -8.927 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.585 -2.724 -9.750 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.307 -5.786 -6.642 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.804 -4.433 -9.229 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.835 -3.440 -6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.218 -2.350 -7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.639 -1.853 -9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.134 -3.975 -8.972 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.060 -2.272 -10.531 1.00 0.00 H new ATOM 957 N THR A 68 -1.503 -3.724 -8.653 1.00 0.00 N ATOM 958 CA THR A 68 -0.106 -3.424 -8.367 1.00 0.00 C ATOM 959 C THR A 68 0.114 -1.923 -8.218 1.00 0.00 C ATOM 960 O THR A 68 -0.450 -1.126 -8.968 1.00 0.00 O ATOM 961 CB THR A 68 0.822 -3.960 -9.473 1.00 0.00 C ATOM 962 OG1 THR A 68 0.674 -5.380 -9.591 1.00 0.00 O ATOM 963 CG2 THR A 68 2.274 -3.620 -9.174 1.00 0.00 C ATOM 0 H THR A 68 -1.772 -3.589 -9.628 1.00 0.00 H new ATOM 0 HA THR A 68 0.138 -3.920 -7.427 1.00 0.00 H new ATOM 0 HB THR A 68 0.541 -3.486 -10.413 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.266 -5.713 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.910 -4.009 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.389 -2.538 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.565 -4.069 -8.224 1.00 0.00 H new ATOM 971 N ILE A 69 0.938 -1.544 -7.247 1.00 0.00 N ATOM 972 CA ILE A 69 1.234 -0.138 -7.002 1.00 0.00 C ATOM 973 C ILE A 69 2.729 0.138 -7.120 1.00 0.00 C ATOM 974 O ILE A 69 3.556 -0.686 -6.727 1.00 0.00 O ATOM 975 CB ILE A 69 0.750 0.304 -5.608 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.543 -0.425 -5.238 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.543 1.811 -5.574 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.668 -0.199 -6.223 1.00 0.00 C ATOM 0 H ILE A 69 1.412 -2.191 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 69 0.701 0.434 -7.761 1.00 0.00 H new ATOM 0 HB ILE A 69 1.513 0.044 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.341 -1.494 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.865 -0.097 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.201 2.109 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.484 2.313 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.205 2.092 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.553 -0.746 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.898 0.865 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.365 -0.553 -7.208 1.00 0.00 H new ATOM 990 N ARG A 70 3.070 1.302 -7.661 1.00 0.00 N ATOM 991 CA ARG A 70 4.466 1.688 -7.830 1.00 0.00 C ATOM 992 C ARG A 70 4.667 3.163 -7.496 1.00 0.00 C ATOM 993 O ARG A 70 4.041 4.037 -8.096 1.00 0.00 O ATOM 994 CB ARG A 70 4.923 1.412 -9.264 1.00 0.00 C ATOM 995 CG ARG A 70 6.407 1.104 -9.381 1.00 0.00 C ATOM 996 CD ARG A 70 6.701 0.227 -10.588 1.00 0.00 C ATOM 997 NE ARG A 70 6.067 -1.084 -10.479 1.00 0.00 N ATOM 998 CZ ARG A 70 6.070 -1.986 -11.454 1.00 0.00 C ATOM 999 NH1 ARG A 70 6.671 -1.719 -12.605 1.00 0.00 N ATOM 1000 NH2 ARG A 70 5.471 -3.157 -11.279 1.00 0.00 N ATOM 0 H ARG A 70 2.398 1.995 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 70 5.067 1.093 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.354 0.572 -9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.690 2.278 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.968 2.035 -9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.748 0.604 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.351 0.725 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.779 0.101 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 70 5.596 -1.320 -9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.132 -0.820 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.672 -2.413 -13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.007 -3.366 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.474 -3.849 -12.029 1.00 0.00 H new ATOM 1014 N PHE A 71 5.543 3.432 -6.534 1.00 0.00 N ATOM 1015 CA PHE A 71 5.826 4.801 -6.119 1.00 0.00 C ATOM 1016 C PHE A 71 7.169 4.885 -5.399 1.00 0.00 C ATOM 1017 O PHE A 71 7.562 3.960 -4.688 1.00 0.00 O ATOM 1018 CB PHE A 71 4.712 5.320 -5.207 1.00 0.00 C ATOM 1019 CG PHE A 71 4.425 4.419 -4.040 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.300 4.352 -2.967 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.280 3.639 -4.015 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.038 3.525 -1.891 1.00 0.00 C ATOM 1023 CE2 PHE A 71 3.013 2.810 -2.942 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.894 2.752 -1.880 1.00 0.00 C ATOM 0 H PHE A 71 6.069 2.720 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 71 5.874 5.423 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.988 6.307 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.801 5.444 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.197 4.953 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.588 3.679 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.727 3.484 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.116 2.208 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.688 2.103 -1.042 1.00 0.00 H new ATOM 1034 N ILE A 72 7.867 5.999 -5.590 1.00 0.00 N ATOM 1035 CA ILE A 72 9.165 6.204 -4.960 1.00 0.00 C ATOM 1036 C ILE A 72 9.129 7.388 -3.999 1.00 0.00 C ATOM 1037 O ILE A 72 8.789 8.511 -4.372 1.00 0.00 O ATOM 1038 CB ILE A 72 10.269 6.441 -6.007 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.412 5.217 -6.914 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.590 6.757 -5.322 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.211 5.486 -8.170 1.00 0.00 C ATOM 0 H ILE A 72 7.555 6.774 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 72 9.392 5.294 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 72 9.988 7.296 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.890 4.414 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.419 4.864 -7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.360 6.922 -6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.479 7.655 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.879 5.921 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.272 4.575 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.722 6.267 -8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.216 5.810 -7.900 1.00 0.00 H new ATOM 1053 N PRO A 73 9.489 7.134 -2.733 1.00 0.00 N ATOM 1054 CA PRO A 73 9.509 8.167 -1.693 1.00 0.00 C ATOM 1055 C PRO A 73 10.622 9.186 -1.909 1.00 0.00 C ATOM 1056 O PRO A 73 11.686 9.098 -1.294 1.00 0.00 O ATOM 1057 CB PRO A 73 9.753 7.372 -0.408 1.00 0.00 C ATOM 1058 CG PRO A 73 10.454 6.136 -0.854 1.00 0.00 C ATOM 1059 CD PRO A 73 9.906 5.819 -2.218 1.00 0.00 C ATOM 0 HA PRO A 73 8.589 8.751 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.360 7.938 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.815 7.136 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.532 6.291 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.275 5.314 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.660 5.358 -2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.067 5.125 -2.163 1.00 0.00 H new ATOM 1067 N HIS A 74 10.372 10.153 -2.785 1.00 0.00 N ATOM 1068 CA HIS A 74 11.354 11.190 -3.081 1.00 0.00 C ATOM 1069 C HIS A 74 12.054 11.654 -1.808 1.00 0.00 C ATOM 1070 O HIS A 74 13.221 12.044 -1.838 1.00 0.00 O ATOM 1071 CB HIS A 74 10.680 12.379 -3.768 1.00 0.00 C ATOM 1072 CG HIS A 74 10.058 12.034 -5.087 1.00 0.00 C ATOM 1073 ND1 HIS A 74 10.795 11.697 -6.202 1.00 0.00 N ATOM 1074 CD2 HIS A 74 8.759 11.975 -5.464 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.977 11.447 -7.208 1.00 0.00 C ATOM 1076 NE2 HIS A 74 8.736 11.608 -6.787 1.00 0.00 N ATOM 0 H HIS A 74 9.498 10.240 -3.303 1.00 0.00 H new ATOM 0 HA HIS A 74 12.101 10.767 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.912 12.782 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.418 13.167 -3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.901 12.179 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.273 11.160 -8.206 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.897 11.481 -7.352 1.00 0.00 H new ATOM 1085 N GLU A 75 11.334 11.610 -0.692 1.00 0.00 N ATOM 1086 CA GLU A 75 11.887 12.027 0.591 1.00 0.00 C ATOM 1087 C GLU A 75 11.664 10.956 1.655 1.00 0.00 C ATOM 1088 O GLU A 75 10.839 10.059 1.484 1.00 0.00 O ATOM 1089 CB GLU A 75 11.255 13.346 1.040 1.00 0.00 C ATOM 1090 CG GLU A 75 9.749 13.267 1.224 1.00 0.00 C ATOM 1091 CD GLU A 75 9.067 14.608 1.033 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.084 15.423 1.979 1.00 0.00 O ATOM 1093 OE2 GLU A 75 8.515 14.842 -0.063 1.00 0.00 O ATOM 0 H GLU A 75 10.366 11.290 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 75 12.960 12.171 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.712 13.657 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.483 14.117 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.337 12.550 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.528 12.890 2.223 1.00 0.00 H new ATOM 1100 N ASN A 76 12.405 11.057 2.753 1.00 0.00 N ATOM 1101 CA ASN A 76 12.290 10.096 3.845 1.00 0.00 C ATOM 1102 C ASN A 76 11.037 10.363 4.673 1.00 0.00 C ATOM 1103 O ASN A 76 10.257 11.265 4.367 1.00 0.00 O ATOM 1104 CB ASN A 76 13.529 10.158 4.739 1.00 0.00 C ATOM 1105 CG ASN A 76 14.658 9.287 4.223 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.355 8.022 3.956 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.790 9.747 4.067 1.00 0.00 N flip ATOM 0 H ASN A 76 13.092 11.794 2.911 1.00 0.00 H new ATOM 0 HA ASN A 76 12.213 9.098 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.872 11.190 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.262 9.843 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.977 10.726 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.540 9.149 3.720 1.00 0.00 H new ATOM 1114 N GLY A 77 10.850 9.572 5.726 1.00 0.00 N ATOM 1115 CA GLY A 77 9.691 9.739 6.583 1.00 0.00 C ATOM 1116 C GLY A 77 8.636 8.677 6.344 1.00 0.00 C ATOM 1117 O GLY A 77 8.723 7.909 5.386 1.00 0.00 O ATOM 0 H GLY A 77 11.481 8.819 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.006 9.706 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.256 10.724 6.413 1.00 0.00 H new ATOM 1121 N VAL A 78 7.635 8.632 7.219 1.00 0.00 N ATOM 1122 CA VAL A 78 6.559 7.656 7.099 1.00 0.00 C ATOM 1123 C VAL A 78 5.421 8.195 6.240 1.00 0.00 C ATOM 1124 O VAL A 78 4.554 8.923 6.724 1.00 0.00 O ATOM 1125 CB VAL A 78 6.003 7.262 8.480 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.885 6.240 8.334 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.115 6.725 9.368 1.00 0.00 C ATOM 0 H VAL A 78 7.548 9.260 8.018 1.00 0.00 H new ATOM 0 HA VAL A 78 6.984 6.773 6.621 1.00 0.00 H new ATOM 0 HB VAL A 78 5.589 8.152 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.505 5.974 9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.079 6.666 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.270 5.348 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.704 6.451 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.560 5.846 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.878 7.492 9.499 1.00 0.00 H new ATOM 1137 N HIS A 79 5.430 7.833 4.961 1.00 0.00 N ATOM 1138 CA HIS A 79 4.397 8.280 4.033 1.00 0.00 C ATOM 1139 C HIS A 79 3.067 7.593 4.328 1.00 0.00 C ATOM 1140 O HIS A 79 3.030 6.530 4.947 1.00 0.00 O ATOM 1141 CB HIS A 79 4.820 7.998 2.591 1.00 0.00 C ATOM 1142 CG HIS A 79 6.143 8.598 2.227 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.123 8.879 3.156 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.647 8.969 1.027 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.172 9.399 2.543 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.909 9.463 1.250 1.00 0.00 N ATOM 0 H HIS A 79 6.141 7.232 4.544 1.00 0.00 H new ATOM 0 HA HIS A 79 4.268 9.355 4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.865 6.920 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.057 8.384 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.149 8.891 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.088 9.717 3.018 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.541 9.821 0.534 1.00 0.00 H new ATOM 1155 N SER A 80 1.976 8.209 3.883 1.00 0.00 N ATOM 1156 CA SER A 80 0.644 7.659 4.104 1.00 0.00 C ATOM 1157 C SER A 80 0.033 7.171 2.793 1.00 0.00 C ATOM 1158 O SER A 80 -0.202 7.958 1.875 1.00 0.00 O ATOM 1159 CB SER A 80 -0.265 8.711 4.743 1.00 0.00 C ATOM 1160 OG SER A 80 -0.192 8.657 6.157 1.00 0.00 O ATOM 0 H SER A 80 1.989 9.089 3.367 1.00 0.00 H new ATOM 0 HA SER A 80 0.736 6.809 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.024 9.704 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.294 8.550 4.422 1.00 0.00 H new ATOM 0 HG SER A 80 -0.780 9.340 6.541 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.220 5.870 2.714 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.804 5.276 1.518 1.00 0.00 C ATOM 1168 C ILE A 81 -2.323 5.198 1.628 1.00 0.00 C ATOM 1169 O ILE A 81 -2.860 4.374 2.369 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.245 3.865 1.259 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.250 3.818 1.577 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.499 3.450 -0.182 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.112 4.486 0.528 1.00 0.00 C ATOM 0 H ILE A 81 -0.030 5.206 3.465 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.536 5.922 0.682 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.759 3.162 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.424 4.300 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.559 2.778 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.098 2.450 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.572 3.448 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.010 4.154 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.160 4.415 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.967 3.990 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.830 5.535 0.440 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.010 6.058 0.885 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.468 6.085 0.897 1.00 0.00 C ATOM 1187 C ASP A 82 -5.038 5.047 -0.065 1.00 0.00 C ATOM 1188 O ASP A 82 -4.919 5.182 -1.283 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.977 7.478 0.524 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.365 7.752 1.069 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.323 7.092 0.613 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.494 8.626 1.951 1.00 0.00 O ATOM 0 H ASP A 82 -2.581 6.746 0.266 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.803 5.843 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.285 8.229 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.989 7.579 -0.561 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.657 4.010 0.491 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.245 2.948 -0.317 1.00 0.00 C ATOM 1199 C VAL A 83 -7.767 2.970 -0.229 1.00 0.00 C ATOM 1200 O VAL A 83 -8.344 2.674 0.818 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.736 1.562 0.120 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.301 0.476 -0.783 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.216 1.529 0.121 1.00 0.00 C ATOM 0 H VAL A 83 -5.764 3.883 1.497 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.941 3.129 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.081 1.371 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.930 -0.496 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.390 0.486 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.989 0.659 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.874 0.542 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.847 1.741 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.836 2.280 0.814 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.413 3.322 -1.335 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.869 3.381 -1.385 1.00 0.00 C ATOM 1215 C LYS A 84 -10.426 2.301 -2.307 1.00 0.00 C ATOM 1216 O LYS A 84 -9.784 1.912 -3.283 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.328 4.761 -1.863 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.312 5.819 -0.773 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.195 7.002 -1.132 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.921 8.195 -0.229 1.00 0.00 C ATOM 1221 NZ LYS A 84 -9.540 8.722 -0.409 1.00 0.00 N ATOM 0 H LYS A 84 -7.951 3.571 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.249 3.207 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.685 5.085 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.338 4.680 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.652 5.381 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.290 6.162 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.024 7.284 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.243 6.714 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.642 8.985 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.066 7.904 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.484 9.687 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.867 8.110 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.304 8.737 -1.422 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.625 1.822 -1.993 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.269 0.787 -2.793 1.00 0.00 C ATOM 1237 C PHE A 85 -13.760 1.070 -2.951 1.00 0.00 C ATOM 1238 O PHE A 85 -14.526 0.969 -1.994 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.065 -0.586 -2.150 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.340 -1.732 -3.081 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.615 -1.879 -4.253 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.325 -2.661 -2.786 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.865 -2.932 -5.112 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.579 -3.716 -3.641 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.850 -3.852 -4.806 1.00 0.00 C ATOM 0 H PHE A 85 -12.171 2.134 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.810 0.790 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.039 -0.660 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.716 -0.671 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.845 -1.162 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.900 -2.559 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.292 -3.036 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.348 -4.435 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.049 -4.675 -5.476 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.163 1.426 -4.167 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.562 1.725 -4.451 1.00 0.00 C ATOM 1257 C ASN A 86 -16.054 2.888 -3.596 1.00 0.00 C ATOM 1258 O ASN A 86 -17.221 2.939 -3.210 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.430 0.490 -4.201 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.099 -0.650 -5.144 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -15.525 -1.660 -4.737 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.459 -0.493 -6.413 1.00 0.00 N ATOM 0 H ASN A 86 -13.541 1.514 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.641 2.010 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.296 0.157 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.480 0.758 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.261 -1.227 -7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.933 0.361 -6.707 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.154 3.823 -3.303 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.516 4.974 -2.496 1.00 0.00 C ATOM 1271 C GLY A 87 -15.575 4.648 -1.016 1.00 0.00 C ATOM 1272 O GLY A 87 -16.392 5.205 -0.284 1.00 0.00 O ATOM 0 H GLY A 87 -14.182 3.804 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.792 5.772 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.486 5.351 -2.821 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.709 3.742 -0.576 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.666 3.343 0.825 1.00 0.00 C ATOM 1278 C ALA A 88 -13.229 3.178 1.306 1.00 0.00 C ATOM 1279 O ALA A 88 -12.345 2.804 0.534 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.445 2.052 1.031 1.00 0.00 C ATOM 0 H ALA A 88 -14.027 3.270 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.130 4.133 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.404 1.766 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.483 2.203 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.006 1.261 0.423 1.00 0.00 H new ATOM 1286 N HIS A 89 -13.001 3.459 2.585 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.669 3.341 3.168 1.00 0.00 C ATOM 1288 C HIS A 89 -11.444 1.941 3.730 1.00 0.00 C ATOM 1289 O HIS A 89 -12.240 1.447 4.529 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.478 4.383 4.271 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.907 5.678 3.780 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.554 5.893 3.625 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.515 6.828 3.406 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.354 7.121 3.179 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.528 7.709 3.038 1.00 0.00 N ATOM 0 H HIS A 89 -13.721 3.770 3.237 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.937 3.519 2.380 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.439 4.577 4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.820 3.973 5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.578 7.017 3.398 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.394 7.568 2.966 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.677 8.663 2.709 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.355 1.307 3.307 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.026 -0.036 3.769 1.00 0.00 C ATOM 1306 C ILE A 90 -9.532 -0.015 5.212 1.00 0.00 C ATOM 1307 O ILE A 90 -8.958 0.966 5.683 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.953 -0.690 2.880 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.611 0.026 3.052 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.387 -0.668 1.422 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.416 -0.848 2.744 1.00 0.00 C ATOM 0 H ILE A 90 -9.686 1.702 2.646 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.942 -0.624 3.710 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.832 -1.729 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.589 0.900 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.531 0.389 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.618 -1.134 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.322 -1.218 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.533 0.363 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.500 -0.275 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.413 -1.709 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.472 -1.190 1.711 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.759 -1.125 5.930 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.342 -1.261 7.329 1.00 0.00 C ATOM 1325 C PRO A 91 -7.827 -1.356 7.476 1.00 0.00 C ATOM 1326 O PRO A 91 -7.230 -2.391 7.184 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.006 -2.567 7.772 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.185 -3.346 6.514 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.438 -2.333 5.432 1.00 0.00 C ATOM 0 HA PRO A 91 -9.631 -0.396 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.383 -3.106 8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.962 -2.379 8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.298 -3.940 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.020 -4.041 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.030 -2.657 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.504 -2.162 5.283 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.212 -0.270 7.932 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.772 -0.253 8.111 1.00 0.00 C ATOM 1339 C GLY A 92 -5.115 0.923 7.414 1.00 0.00 C ATOM 1340 O GLY A 92 -3.974 1.273 7.715 1.00 0.00 O ATOM 0 H GLY A 92 -7.685 0.599 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.542 -0.215 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.350 -1.181 7.726 1.00 0.00 H new ATOM 1344 N SER A 93 -5.836 1.532 6.478 1.00 0.00 N ATOM 1345 CA SER A 93 -5.314 2.671 5.732 1.00 0.00 C ATOM 1346 C SER A 93 -5.623 3.980 6.452 1.00 0.00 C ATOM 1347 O SER A 93 -6.593 4.091 7.202 1.00 0.00 O ATOM 1348 CB SER A 93 -5.907 2.699 4.322 1.00 0.00 C ATOM 1349 OG SER A 93 -6.033 4.029 3.848 1.00 0.00 O ATOM 0 H SER A 93 -6.783 1.256 6.218 1.00 0.00 H new ATOM 0 HA SER A 93 -4.232 2.562 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.272 2.127 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.884 2.217 4.326 1.00 0.00 H new ATOM 0 HG SER A 93 -6.791 4.085 3.229 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.779 4.996 6.220 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.621 4.875 5.330 1.00 0.00 C ATOM 1357 C PRO A 94 -2.535 3.976 5.910 1.00 0.00 C ATOM 1358 O PRO A 94 -2.326 3.942 7.123 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.115 6.314 5.208 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.579 6.985 6.455 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.890 6.341 6.809 1.00 0.00 C ATOM 0 HA PRO A 94 -3.887 4.420 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.029 6.346 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.520 6.802 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.853 6.860 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.700 8.057 6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.037 6.296 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.734 6.893 6.395 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.844 3.250 5.037 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.779 2.350 5.464 1.00 0.00 C ATOM 1371 C PHE A 95 0.510 3.122 5.730 1.00 0.00 C ATOM 1372 O PHE A 95 1.060 3.763 4.835 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.534 1.276 4.402 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.598 0.217 4.364 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.842 -0.580 5.471 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.355 0.018 3.220 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.821 -1.555 5.439 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.335 -0.956 3.183 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.568 -1.744 4.293 1.00 0.00 C ATOM 0 H PHE A 95 -2.003 3.267 4.030 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.092 1.870 6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.471 1.752 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.430 0.804 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.260 -0.438 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.177 0.630 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.002 -2.168 6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.919 -1.101 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.333 -2.506 4.265 1.00 0.00 H new ATOM 1389 N LYS A 96 0.987 3.055 6.969 1.00 0.00 N ATOM 1390 CA LYS A 96 2.212 3.745 7.356 1.00 0.00 C ATOM 1391 C LYS A 96 3.442 2.942 6.946 1.00 0.00 C ATOM 1392 O LYS A 96 3.661 1.832 7.434 1.00 0.00 O ATOM 1393 CB LYS A 96 2.228 3.989 8.866 1.00 0.00 C ATOM 1394 CG LYS A 96 0.992 4.706 9.380 1.00 0.00 C ATOM 1395 CD LYS A 96 1.155 6.216 9.315 1.00 0.00 C ATOM 1396 CE LYS A 96 0.209 6.921 10.274 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.758 6.972 11.657 1.00 0.00 N ATOM 0 H LYS A 96 0.543 2.530 7.722 1.00 0.00 H new ATOM 0 HA LYS A 96 2.238 4.704 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.322 3.032 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.110 4.576 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.125 4.407 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.797 4.404 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.184 6.482 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.966 6.560 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.022 7.935 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.751 6.404 10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.084 7.460 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.913 6.004 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.661 7.487 11.653 1.00 0.00 H new ATOM 1411 N ILE A 97 4.242 3.509 6.050 1.00 0.00 N ATOM 1412 CA ILE A 97 5.451 2.846 5.578 1.00 0.00 C ATOM 1413 C ILE A 97 6.697 3.641 5.954 1.00 0.00 C ATOM 1414 O ILE A 97 6.826 4.814 5.603 1.00 0.00 O ATOM 1415 CB ILE A 97 5.424 2.646 4.051 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.046 3.953 3.351 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.451 1.539 3.678 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.077 3.861 1.841 1.00 0.00 C ATOM 0 H ILE A 97 4.075 4.426 5.636 1.00 0.00 H new ATOM 0 HA ILE A 97 5.486 1.871 6.063 1.00 0.00 H new ATOM 0 HB ILE A 97 6.420 2.353 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.046 4.250 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.729 4.739 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.444 1.410 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.760 0.608 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.450 1.804 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.798 4.824 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.082 3.595 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.373 3.098 1.508 1.00 0.00 H new ATOM 1430 N ARG A 98 7.612 2.994 6.668 1.00 0.00 N ATOM 1431 CA ARG A 98 8.848 3.641 7.092 1.00 0.00 C ATOM 1432 C ARG A 98 9.917 3.532 6.008 1.00 0.00 C ATOM 1433 O ARG A 98 10.303 2.433 5.610 1.00 0.00 O ATOM 1434 CB ARG A 98 9.358 3.014 8.390 1.00 0.00 C ATOM 1435 CG ARG A 98 10.416 3.847 9.095 1.00 0.00 C ATOM 1436 CD ARG A 98 10.391 3.624 10.599 1.00 0.00 C ATOM 1437 NE ARG A 98 11.685 3.903 11.215 1.00 0.00 N ATOM 1438 CZ ARG A 98 11.920 3.783 12.517 1.00 0.00 C ATOM 1439 NH1 ARG A 98 10.953 3.392 13.335 1.00 0.00 N ATOM 1440 NH2 ARG A 98 13.124 4.055 13.003 1.00 0.00 N ATOM 0 H ARG A 98 7.521 2.022 6.965 1.00 0.00 H new ATOM 0 HA ARG A 98 8.636 4.696 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.516 2.864 9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.770 2.029 8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.401 3.592 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.252 4.903 8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.631 4.263 11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.105 2.593 10.808 1.00 0.00 H new ATOM 0 HE ARG A 98 12.450 4.207 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.026 3.182 12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.136 3.301 14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.871 4.357 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.303 3.963 14.003 1.00 0.00 H new ATOM 1454 N VAL A 99 10.390 4.681 5.534 1.00 0.00 N ATOM 1455 CA VAL A 99 11.415 4.715 4.497 1.00 0.00 C ATOM 1456 C VAL A 99 12.769 5.110 5.075 1.00 0.00 C ATOM 1457 O VAL A 99 12.849 5.912 6.005 1.00 0.00 O ATOM 1458 CB VAL A 99 11.042 5.699 3.373 1.00 0.00 C ATOM 1459 CG1 VAL A 99 12.087 5.668 2.268 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.661 5.379 2.821 1.00 0.00 C ATOM 0 H VAL A 99 10.080 5.599 5.851 1.00 0.00 H new ATOM 0 HA VAL A 99 11.480 3.709 4.083 1.00 0.00 H new ATOM 0 HB VAL A 99 11.017 6.706 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.807 6.370 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.057 5.950 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.147 4.662 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.414 6.084 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.655 4.365 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.923 5.458 3.619 1.00 0.00 H new ATOM 1470 N GLY A 100 13.833 4.541 4.518 1.00 0.00 N ATOM 1471 CA GLY A 100 15.171 4.847 4.991 1.00 0.00 C ATOM 1472 C GLY A 100 15.393 4.409 6.425 1.00 0.00 C ATOM 1473 O GLY A 100 15.004 5.107 7.360 1.00 0.00 O ATOM 0 H GLY A 100 13.793 3.874 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.902 4.357 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.345 5.920 4.911 1.00 0.00 H new ATOM 1477 N GLU A 101 16.019 3.249 6.598 1.00 0.00 N ATOM 1478 CA GLU A 101 16.289 2.718 7.929 1.00 0.00 C ATOM 1479 C GLU A 101 17.691 3.102 8.393 1.00 0.00 C ATOM 1480 O GLU A 101 18.657 2.993 7.638 1.00 0.00 O ATOM 1481 CB GLU A 101 16.136 1.196 7.936 1.00 0.00 C ATOM 1482 CG GLU A 101 14.694 0.730 8.045 1.00 0.00 C ATOM 1483 CD GLU A 101 13.744 1.575 7.219 1.00 0.00 C ATOM 1484 OE1 GLU A 101 13.541 2.756 7.572 1.00 0.00 O ATOM 1485 OE2 GLU A 101 13.204 1.056 6.220 1.00 0.00 O ATOM 0 H GLU A 101 16.348 2.659 5.834 1.00 0.00 H new ATOM 0 HA GLU A 101 15.565 3.151 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.572 0.791 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.706 0.786 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.626 -0.308 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.385 0.759 9.090 1.00 0.00 H new ATOM 1492 N GLN A 102 17.793 3.552 9.640 1.00 0.00 N ATOM 1493 CA GLN A 102 19.076 3.953 10.204 1.00 0.00 C ATOM 1494 C GLN A 102 19.872 2.736 10.666 1.00 0.00 C ATOM 1495 O GLN A 102 19.318 1.652 10.847 1.00 0.00 O ATOM 1496 CB GLN A 102 18.864 4.913 11.376 1.00 0.00 C ATOM 1497 CG GLN A 102 20.031 5.861 11.605 1.00 0.00 C ATOM 1498 CD GLN A 102 21.115 5.253 12.473 1.00 0.00 C ATOM 1499 OE1 GLN A 102 22.271 5.148 12.061 1.00 0.00 O ATOM 1500 NE2 GLN A 102 20.746 4.848 13.683 1.00 0.00 N ATOM 0 H GLN A 102 17.003 3.648 10.278 1.00 0.00 H new ATOM 0 HA GLN A 102 19.644 4.462 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 102 17.962 5.498 11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 102 18.694 4.333 12.283 1.00 0.00 H new ATOM 0 HG2 GLN A 102 20.458 6.145 10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 102 19.665 6.775 12.074 1.00 0.00 H new ATOM 0 HE21 GLN A 102 19.777 4.955 13.983 1.00 0.00 H new ATOM 0 HE22 GLN A 102 21.432 4.431 14.312 1.00 0.00 H new ATOM 1509 N SER A 103 21.175 2.924 10.853 1.00 0.00 N ATOM 1510 CA SER A 103 22.048 1.840 11.290 1.00 0.00 C ATOM 1511 C SER A 103 22.063 0.709 10.266 1.00 0.00 C ATOM 1512 O SER A 103 21.994 -0.466 10.624 1.00 0.00 O ATOM 1513 CB SER A 103 21.592 1.307 12.649 1.00 0.00 C ATOM 1514 OG SER A 103 22.544 0.405 13.188 1.00 0.00 O ATOM 0 H SER A 103 21.649 3.816 10.709 1.00 0.00 H new ATOM 0 HA SER A 103 23.059 2.235 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.443 2.138 13.338 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.630 0.805 12.542 1.00 0.00 H new ATOM 0 HG SER A 103 22.660 -0.352 12.576 1.00 0.00 H new ATOM 1520 N GLN A 104 22.155 1.074 8.991 1.00 0.00 N ATOM 1521 CA GLN A 104 22.179 0.091 7.915 1.00 0.00 C ATOM 1522 C GLN A 104 23.590 -0.076 7.361 1.00 0.00 C ATOM 1523 O GLN A 104 23.773 -0.347 6.175 1.00 0.00 O ATOM 1524 CB GLN A 104 21.224 0.506 6.795 1.00 0.00 C ATOM 1525 CG GLN A 104 21.583 1.836 6.151 1.00 0.00 C ATOM 1526 CD GLN A 104 22.599 1.690 5.036 1.00 0.00 C ATOM 1527 OE1 GLN A 104 23.718 2.196 5.130 1.00 0.00 O ATOM 1528 NE2 GLN A 104 22.215 0.994 3.972 1.00 0.00 N ATOM 0 H GLN A 104 22.214 2.043 8.678 1.00 0.00 H new ATOM 0 HA GLN A 104 21.854 -0.866 8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 104 21.217 -0.269 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 104 20.212 0.567 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 104 20.679 2.299 5.755 1.00 0.00 H new ATOM 0 HG3 GLN A 104 21.979 2.509 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 104 21.278 0.592 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 104 22.857 0.861 3.191 1.00 0.00 H new ATOM 1537 N ALA A 105 24.584 0.089 8.228 1.00 0.00 N ATOM 1538 CA ALA A 105 25.978 -0.045 7.826 1.00 0.00 C ATOM 1539 C ALA A 105 26.582 -1.339 8.360 1.00 0.00 C ATOM 1540 O ALA A 105 27.318 -2.029 7.655 1.00 0.00 O ATOM 1541 CB ALA A 105 26.784 1.153 8.306 1.00 0.00 C ATOM 0 H ALA A 105 24.449 0.316 9.213 1.00 0.00 H new ATOM 0 HA ALA A 105 26.014 -0.080 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 105 27.823 1.039 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 105 26.375 2.065 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 105 26.732 1.215 9.393 1.00 0.00 H new ATOM 1547 N GLY A 106 26.267 -1.663 9.610 1.00 0.00 N ATOM 1548 CA GLY A 106 26.788 -2.873 10.217 1.00 0.00 C ATOM 1549 C GLY A 106 27.334 -2.634 11.611 1.00 0.00 C ATOM 1550 O GLY A 106 28.267 -1.852 11.793 1.00 0.00 O ATOM 0 H GLY A 106 25.660 -1.108 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 106 25.997 -3.622 10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.577 -3.281 9.586 1.00 0.00 H new ATOM 1554 N SER A 107 26.752 -3.309 12.597 1.00 0.00 N ATOM 1555 CA SER A 107 27.183 -3.162 13.982 1.00 0.00 C ATOM 1556 C SER A 107 28.683 -3.410 14.114 1.00 0.00 C ATOM 1557 O SER A 107 29.329 -3.884 13.181 1.00 0.00 O ATOM 1558 CB SER A 107 26.414 -4.129 14.884 1.00 0.00 C ATOM 1559 OG SER A 107 25.114 -3.639 15.165 1.00 0.00 O ATOM 0 H SER A 107 25.981 -3.963 12.462 1.00 0.00 H new ATOM 0 HA SER A 107 26.972 -2.139 14.295 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.342 -5.103 14.401 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.960 -4.275 15.816 1.00 0.00 H new ATOM 0 HG SER A 107 24.642 -4.276 15.742 1.00 0.00 H new ATOM 1565 N GLY A 108 29.230 -3.085 15.281 1.00 0.00 N ATOM 1566 CA GLY A 108 30.649 -3.279 15.515 1.00 0.00 C ATOM 1567 C GLY A 108 31.508 -2.410 14.618 1.00 0.00 C ATOM 1568 O GLY A 108 31.074 -1.370 14.124 1.00 0.00 O ATOM 0 H GLY A 108 28.716 -2.691 16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 108 30.876 -3.056 16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 108 30.901 -4.327 15.351 1.00 0.00 H new ATOM 1572 N PRO A 109 32.760 -2.838 14.397 1.00 0.00 N ATOM 1573 CA PRO A 109 33.710 -2.106 13.553 1.00 0.00 C ATOM 1574 C PRO A 109 33.329 -2.152 12.077 1.00 0.00 C ATOM 1575 O PRO A 109 33.675 -3.095 11.367 1.00 0.00 O ATOM 1576 CB PRO A 109 35.032 -2.841 13.788 1.00 0.00 C ATOM 1577 CG PRO A 109 34.634 -4.218 14.192 1.00 0.00 C ATOM 1578 CD PRO A 109 33.345 -4.070 14.953 1.00 0.00 C ATOM 0 HA PRO A 109 33.746 -1.046 13.804 1.00 0.00 H new ATOM 0 HB2 PRO A 109 35.643 -2.854 12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 109 35.622 -2.355 14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 109 34.501 -4.858 13.319 1.00 0.00 H new ATOM 0 HG3 PRO A 109 35.402 -4.680 14.812 1.00 0.00 H new ATOM 0 HD2 PRO A 109 32.690 -4.928 14.805 1.00 0.00 H new ATOM 0 HD3 PRO A 109 33.519 -3.984 16.026 1.00 0.00 H new ATOM 1586 N SER A 110 32.614 -1.127 11.623 1.00 0.00 N ATOM 1587 CA SER A 110 32.184 -1.053 10.232 1.00 0.00 C ATOM 1588 C SER A 110 33.276 -1.563 9.297 1.00 0.00 C ATOM 1589 O SER A 110 34.362 -0.989 9.222 1.00 0.00 O ATOM 1590 CB SER A 110 31.815 0.386 9.866 1.00 0.00 C ATOM 1591 OG SER A 110 30.479 0.680 10.237 1.00 0.00 O ATOM 0 H SER A 110 32.321 -0.337 12.198 1.00 0.00 H new ATOM 0 HA SER A 110 31.305 -1.687 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 110 32.495 1.077 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 110 31.939 0.535 8.793 1.00 0.00 H new ATOM 0 HG SER A 110 30.268 1.606 9.994 1.00 0.00 H new ATOM 1597 N SER A 111 32.979 -2.646 8.586 1.00 0.00 N ATOM 1598 CA SER A 111 33.936 -3.237 7.658 1.00 0.00 C ATOM 1599 C SER A 111 33.273 -3.555 6.321 1.00 0.00 C ATOM 1600 O SER A 111 32.060 -3.413 6.169 1.00 0.00 O ATOM 1601 CB SER A 111 34.539 -4.510 8.256 1.00 0.00 C ATOM 1602 OG SER A 111 35.693 -4.914 7.539 1.00 0.00 O ATOM 0 H SER A 111 32.084 -3.132 8.635 1.00 0.00 H new ATOM 0 HA SER A 111 34.731 -2.512 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 111 34.798 -4.337 9.301 1.00 0.00 H new ATOM 0 HB3 SER A 111 33.798 -5.310 8.239 1.00 0.00 H new ATOM 0 HG SER A 111 36.060 -5.728 7.942 1.00 0.00 H new ATOM 1608 N GLY A 112 34.078 -3.985 5.355 1.00 0.00 N ATOM 1609 CA GLY A 112 33.552 -4.316 4.043 1.00 0.00 C ATOM 1610 C GLY A 112 33.655 -5.797 3.734 1.00 0.00 C ATOM 1611 O GLY A 112 33.915 -6.607 4.624 1.00 0.00 O ATOM 0 H GLY A 112 35.085 -4.110 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 112 32.508 -4.008 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 112 34.094 -3.751 3.285 1.00 0.00 H new TER 1615 GLY A 112