USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 846 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 66 SER OG : rot -111:sc= 1.13 USER MOD Set 1.2: A 68 TYR OH : rot 81:sc= 0.432 USER MOD Set 2.1: A 58 SER OG : rot -88:sc= 0.359 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.677 X(o=-0.32,f=-0.31) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc=-0.00289 USER MOD Set 3.2: A 51 CYS SG : rot -160:sc=-0.00394 USER MOD Set 4.1: A 38 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.74) USER MOD Set 4.2: A 42 MET CE :methyl -169:sc= 0 (180deg=-0.0666) USER MOD Set 5.1: A 22 TYR OH : rot -47:sc= 1.04 USER MOD Set 5.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 15 SER OG : rot -26:sc= 1.32 USER MOD Set 6.2: A 96 LYS NZ :NH3+ -102:sc= -0.193! (180deg=-1.41!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0865 (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 -49:sc= 0.542 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -16:sc= 0.753 USER MOD Single : A 23 MET CE :methyl -168:sc= -1.05 (180deg=-1.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.077) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.0694 X(o=-0.069,f=-0.22) USER MOD Single : A 48 SER OG : rot 104:sc= -0.0446 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 102:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.051) USER MOD Single : A 63 SER OG : rot -54:sc= 0.289 USER MOD Single : A 71 ASN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.1) USER MOD Single : A 87 HIS : no HD1:sc= -7.53! C(o=-7.5!,f=-7.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS :FLIP no HD1:sc= -1.45 F(o=-3.2!,f=-1.4) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -34:sc= 0.225 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.446 17.832 -26.381 1.00 0.00 N ATOM 2 CA GLY A 1 -17.482 19.017 -25.543 1.00 0.00 C ATOM 3 C GLY A 1 -16.111 19.397 -25.018 1.00 0.00 C ATOM 4 O GLY A 1 -15.098 18.856 -25.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.827 18.060 -27.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.464 17.503 -26.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.022 17.082 -25.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.893 19.850 -26.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.154 18.844 -24.703 1.00 0.00 H new ATOM 8 N SER A 2 -16.079 20.332 -24.074 1.00 0.00 N ATOM 9 CA SER A 2 -14.822 20.788 -23.493 1.00 0.00 C ATOM 10 C SER A 2 -14.856 20.680 -21.971 1.00 0.00 C ATOM 11 O SER A 2 -15.910 20.819 -21.352 1.00 0.00 O ATOM 12 CB SER A 2 -14.539 22.234 -23.907 1.00 0.00 C ATOM 13 OG SER A 2 -15.357 23.139 -23.186 1.00 0.00 O ATOM 0 H SER A 2 -16.909 20.788 -23.695 1.00 0.00 H new ATOM 0 HA SER A 2 -14.024 20.147 -23.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.489 22.468 -23.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.716 22.351 -24.976 1.00 0.00 H new ATOM 0 HG SER A 2 -15.156 24.056 -23.467 1.00 0.00 H new ATOM 19 N SER A 3 -13.694 20.431 -21.376 1.00 0.00 N ATOM 20 CA SER A 3 -13.589 20.300 -19.927 1.00 0.00 C ATOM 21 C SER A 3 -12.165 20.581 -19.458 1.00 0.00 C ATOM 22 O SER A 3 -11.262 20.789 -20.267 1.00 0.00 O ATOM 23 CB SER A 3 -14.016 18.898 -19.489 1.00 0.00 C ATOM 24 OG SER A 3 -13.007 17.944 -19.777 1.00 0.00 O ATOM 0 H SER A 3 -12.812 20.316 -21.875 1.00 0.00 H new ATOM 0 HA SER A 3 -14.254 21.033 -19.471 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.228 18.896 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.939 18.620 -19.997 1.00 0.00 H new ATOM 0 HG SER A 3 -13.303 17.056 -19.486 1.00 0.00 H new ATOM 30 N GLY A 4 -11.973 20.584 -18.142 1.00 0.00 N ATOM 31 CA GLY A 4 -10.657 20.841 -17.586 1.00 0.00 C ATOM 32 C GLY A 4 -10.634 20.724 -16.075 1.00 0.00 C ATOM 33 O GLY A 4 -11.681 20.734 -15.428 1.00 0.00 O ATOM 0 H GLY A 4 -12.704 20.413 -17.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.942 20.138 -18.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.333 21.841 -17.875 1.00 0.00 H new ATOM 37 N SER A 5 -9.436 20.611 -15.510 1.00 0.00 N ATOM 38 CA SER A 5 -9.281 20.485 -14.065 1.00 0.00 C ATOM 39 C SER A 5 -10.147 19.354 -13.522 1.00 0.00 C ATOM 40 O SER A 5 -10.780 19.490 -12.475 1.00 0.00 O ATOM 41 CB SER A 5 -9.648 21.801 -13.376 1.00 0.00 C ATOM 42 OG SER A 5 -9.368 21.744 -11.987 1.00 0.00 O ATOM 0 H SER A 5 -8.559 20.604 -16.030 1.00 0.00 H new ATOM 0 HA SER A 5 -8.237 20.251 -13.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.090 22.621 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.706 22.013 -13.529 1.00 0.00 H new ATOM 0 HG SER A 5 -9.742 20.920 -11.611 1.00 0.00 H new ATOM 48 N SER A 6 -10.171 18.237 -14.242 1.00 0.00 N ATOM 49 CA SER A 6 -10.962 17.081 -13.835 1.00 0.00 C ATOM 50 C SER A 6 -10.466 16.524 -12.505 1.00 0.00 C ATOM 51 O SER A 6 -11.215 16.449 -11.532 1.00 0.00 O ATOM 52 CB SER A 6 -10.906 15.994 -14.910 1.00 0.00 C ATOM 53 OG SER A 6 -11.359 16.488 -16.159 1.00 0.00 O ATOM 0 H SER A 6 -9.652 18.108 -15.110 1.00 0.00 H new ATOM 0 HA SER A 6 -11.995 17.405 -13.710 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.884 15.628 -15.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.520 15.146 -14.606 1.00 0.00 H new ATOM 0 HG SER A 6 -11.312 15.775 -16.829 1.00 0.00 H new ATOM 59 N GLY A 7 -9.196 16.132 -12.471 1.00 0.00 N ATOM 60 CA GLY A 7 -8.620 15.586 -11.257 1.00 0.00 C ATOM 61 C GLY A 7 -8.340 16.653 -10.216 1.00 0.00 C ATOM 62 O GLY A 7 -7.265 17.250 -10.204 1.00 0.00 O ATOM 0 H GLY A 7 -8.556 16.183 -13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.300 14.844 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.692 15.068 -11.500 1.00 0.00 H new ATOM 66 N MET A 8 -9.312 16.894 -9.343 1.00 0.00 N ATOM 67 CA MET A 8 -9.165 17.896 -8.294 1.00 0.00 C ATOM 68 C MET A 8 -8.359 17.344 -7.123 1.00 0.00 C ATOM 69 O MET A 8 -7.364 17.938 -6.707 1.00 0.00 O ATOM 70 CB MET A 8 -10.539 18.362 -7.808 1.00 0.00 C ATOM 71 CG MET A 8 -11.123 19.498 -8.633 1.00 0.00 C ATOM 72 SD MET A 8 -12.890 19.721 -8.356 1.00 0.00 S ATOM 73 CE MET A 8 -12.894 21.229 -7.390 1.00 0.00 C ATOM 0 H MET A 8 -10.210 16.409 -9.341 1.00 0.00 H new ATOM 0 HA MET A 8 -8.628 18.747 -8.712 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.228 17.518 -7.828 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.458 18.682 -6.769 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.601 20.424 -8.390 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.947 19.301 -9.691 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.920 21.498 -7.140 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.325 21.075 -6.473 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.439 22.033 -7.969 1.00 0.00 H new ATOM 83 N SER A 9 -8.795 16.205 -6.595 1.00 0.00 N ATOM 84 CA SER A 9 -8.116 15.576 -5.468 1.00 0.00 C ATOM 85 C SER A 9 -6.664 15.263 -5.816 1.00 0.00 C ATOM 86 O SER A 9 -6.345 14.930 -6.957 1.00 0.00 O ATOM 87 CB SER A 9 -8.843 14.293 -5.060 1.00 0.00 C ATOM 88 OG SER A 9 -10.148 14.575 -4.584 1.00 0.00 O ATOM 0 H SER A 9 -9.615 15.699 -6.929 1.00 0.00 H new ATOM 0 HA SER A 9 -8.129 16.274 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.902 13.618 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.273 13.779 -4.286 1.00 0.00 H new ATOM 0 HG SER A 9 -10.592 13.739 -4.331 1.00 0.00 H new ATOM 94 N SER A 10 -5.788 15.371 -4.822 1.00 0.00 N ATOM 95 CA SER A 10 -4.368 15.104 -5.022 1.00 0.00 C ATOM 96 C SER A 10 -4.123 13.615 -5.249 1.00 0.00 C ATOM 97 O SER A 10 -3.551 13.217 -6.263 1.00 0.00 O ATOM 98 CB SER A 10 -3.562 15.587 -3.815 1.00 0.00 C ATOM 99 OG SER A 10 -2.249 15.962 -4.196 1.00 0.00 O ATOM 0 H SER A 10 -6.036 15.641 -3.870 1.00 0.00 H new ATOM 0 HA SER A 10 -4.042 15.648 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.066 16.436 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.515 14.797 -3.065 1.00 0.00 H new ATOM 0 HG SER A 10 -1.755 16.269 -3.407 1.00 0.00 H new ATOM 105 N ALA A 11 -4.560 12.798 -4.296 1.00 0.00 N ATOM 106 CA ALA A 11 -4.390 11.353 -4.392 1.00 0.00 C ATOM 107 C ALA A 11 -5.181 10.784 -5.565 1.00 0.00 C ATOM 108 O ALA A 11 -6.338 10.393 -5.414 1.00 0.00 O ATOM 109 CB ALA A 11 -4.815 10.685 -3.093 1.00 0.00 C ATOM 0 H ALA A 11 -5.034 13.112 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.334 11.147 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.683 9.606 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.203 11.062 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.864 10.908 -2.895 1.00 0.00 H new ATOM 115 N ARG A 12 -4.548 10.741 -6.733 1.00 0.00 N ATOM 116 CA ARG A 12 -5.194 10.221 -7.933 1.00 0.00 C ATOM 117 C ARG A 12 -4.359 9.109 -8.561 1.00 0.00 C ATOM 118 O ARG A 12 -3.498 9.366 -9.403 1.00 0.00 O ATOM 119 CB ARG A 12 -5.413 11.345 -8.947 1.00 0.00 C ATOM 120 CG ARG A 12 -6.530 12.302 -8.564 1.00 0.00 C ATOM 121 CD ARG A 12 -7.898 11.661 -8.742 1.00 0.00 C ATOM 122 NE ARG A 12 -8.954 12.658 -8.891 1.00 0.00 N ATOM 123 CZ ARG A 12 -10.250 12.366 -8.862 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.647 11.113 -8.689 1.00 0.00 N ATOM 125 NH2 ARG A 12 -11.152 13.329 -9.005 1.00 0.00 N ATOM 0 H ARG A 12 -3.589 11.060 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.161 9.807 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.486 11.908 -9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.639 10.907 -9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.405 12.613 -7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.466 13.202 -9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.884 11.014 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.116 11.028 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.682 13.632 -9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.957 10.370 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.642 10.892 -8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.851 14.294 -9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.147 13.104 -8.983 1.00 0.00 H new ATOM 139 N PHE A 13 -4.619 7.874 -8.146 1.00 0.00 N ATOM 140 CA PHE A 13 -3.891 6.723 -8.667 1.00 0.00 C ATOM 141 C PHE A 13 -4.776 5.480 -8.681 1.00 0.00 C ATOM 142 O PHE A 13 -5.740 5.383 -7.922 1.00 0.00 O ATOM 143 CB PHE A 13 -2.639 6.462 -7.827 1.00 0.00 C ATOM 144 CG PHE A 13 -2.935 6.182 -6.381 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.174 7.220 -5.496 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.975 4.880 -5.909 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.446 6.965 -4.165 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.247 4.619 -4.579 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.484 5.662 -3.706 1.00 0.00 C ATOM 0 H PHE A 13 -5.329 7.644 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.593 6.947 -9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.098 5.615 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.979 7.327 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.148 8.240 -5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.792 4.060 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.629 7.783 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.274 3.600 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.699 5.460 -2.667 1.00 0.00 H new ATOM 159 N ASP A 14 -4.442 4.533 -9.551 1.00 0.00 N ATOM 160 CA ASP A 14 -5.205 3.296 -9.664 1.00 0.00 C ATOM 161 C ASP A 14 -4.765 2.287 -8.608 1.00 0.00 C ATOM 162 O ASP A 14 -3.843 1.502 -8.830 1.00 0.00 O ATOM 163 CB ASP A 14 -5.038 2.695 -11.061 1.00 0.00 C ATOM 164 CG ASP A 14 -5.395 3.676 -12.160 1.00 0.00 C ATOM 165 OD1 ASP A 14 -4.717 4.719 -12.268 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.353 3.401 -12.912 1.00 0.00 O ATOM 0 H ASP A 14 -3.648 4.599 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.257 3.531 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.007 2.367 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.667 1.809 -11.150 1.00 0.00 H new ATOM 171 N SER A 15 -5.431 2.315 -7.457 1.00 0.00 N ATOM 172 CA SER A 15 -5.106 1.407 -6.364 1.00 0.00 C ATOM 173 C SER A 15 -5.241 -0.047 -6.807 1.00 0.00 C ATOM 174 O SER A 15 -4.620 -0.942 -6.234 1.00 0.00 O ATOM 175 CB SER A 15 -6.017 1.672 -5.164 1.00 0.00 C ATOM 176 OG SER A 15 -5.806 2.973 -4.642 1.00 0.00 O ATOM 0 H SER A 15 -6.199 2.957 -7.258 1.00 0.00 H new ATOM 0 HA SER A 15 -4.071 1.586 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.059 1.561 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.827 0.930 -4.388 1.00 0.00 H new ATOM 0 HG SER A 15 -4.896 3.268 -4.856 1.00 0.00 H new ATOM 182 N SER A 16 -6.056 -0.273 -7.832 1.00 0.00 N ATOM 183 CA SER A 16 -6.277 -1.618 -8.350 1.00 0.00 C ATOM 184 C SER A 16 -5.106 -2.064 -9.221 1.00 0.00 C ATOM 185 O SER A 16 -4.756 -3.244 -9.254 1.00 0.00 O ATOM 186 CB SER A 16 -7.575 -1.670 -9.158 1.00 0.00 C ATOM 187 OG SER A 16 -8.695 -1.866 -8.311 1.00 0.00 O ATOM 0 H SER A 16 -6.574 0.458 -8.320 1.00 0.00 H new ATOM 0 HA SER A 16 -6.357 -2.298 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.696 -0.743 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.521 -2.478 -9.888 1.00 0.00 H new ATOM 0 HG SER A 16 -9.512 -1.894 -8.851 1.00 0.00 H new ATOM 193 N ASP A 17 -4.503 -1.111 -9.923 1.00 0.00 N ATOM 194 CA ASP A 17 -3.370 -1.403 -10.794 1.00 0.00 C ATOM 195 C ASP A 17 -2.125 -1.727 -9.974 1.00 0.00 C ATOM 196 O ASP A 17 -1.473 -0.832 -9.437 1.00 0.00 O ATOM 197 CB ASP A 17 -3.092 -0.218 -11.720 1.00 0.00 C ATOM 198 CG ASP A 17 -2.277 -0.612 -12.936 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.034 -0.664 -12.825 1.00 0.00 O ATOM 200 OD2 ASP A 17 -2.882 -0.869 -13.997 1.00 0.00 O ATOM 0 H ASP A 17 -4.780 -0.129 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.623 -2.274 -11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.038 0.215 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.561 0.556 -11.166 1.00 0.00 H new ATOM 205 N ARG A 18 -1.802 -3.013 -9.883 1.00 0.00 N ATOM 206 CA ARG A 18 -0.636 -3.456 -9.127 1.00 0.00 C ATOM 207 C ARG A 18 0.654 -2.972 -9.784 1.00 0.00 C ATOM 208 O ARG A 18 1.632 -2.665 -9.102 1.00 0.00 O ATOM 209 CB ARG A 18 -0.623 -4.981 -9.016 1.00 0.00 C ATOM 210 CG ARG A 18 -1.333 -5.508 -7.779 1.00 0.00 C ATOM 211 CD ARG A 18 -1.955 -6.872 -8.032 1.00 0.00 C ATOM 212 NE ARG A 18 -3.249 -6.769 -8.701 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.394 -6.566 -8.059 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.405 -6.445 -6.739 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.531 -6.483 -8.738 1.00 0.00 N ATOM 0 H ARG A 18 -2.331 -3.766 -10.323 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.698 -3.026 -8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.093 -5.405 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.410 -5.327 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.625 -5.578 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.108 -4.804 -7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.279 -7.471 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.078 -7.396 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.275 -6.858 -9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.533 -6.508 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.286 -6.289 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.526 -6.575 -9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.410 -6.327 -8.244 1.00 0.00 H new ATOM 229 N SER A 19 0.647 -2.907 -11.111 1.00 0.00 N ATOM 230 CA SER A 19 1.818 -2.465 -11.861 1.00 0.00 C ATOM 231 C SER A 19 2.053 -0.970 -11.668 1.00 0.00 C ATOM 232 O SER A 19 2.970 -0.395 -12.253 1.00 0.00 O ATOM 233 CB SER A 19 1.645 -2.778 -13.348 1.00 0.00 C ATOM 234 OG SER A 19 2.776 -2.358 -14.092 1.00 0.00 O ATOM 0 H SER A 19 -0.156 -3.155 -11.690 1.00 0.00 H new ATOM 0 HA SER A 19 2.687 -3.004 -11.483 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.495 -3.849 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.752 -2.281 -13.726 1.00 0.00 H new ATOM 0 HG SER A 19 3.310 -1.738 -13.553 1.00 0.00 H new ATOM 240 N ALA A 20 1.218 -0.347 -10.843 1.00 0.00 N ATOM 241 CA ALA A 20 1.335 1.080 -10.571 1.00 0.00 C ATOM 242 C ALA A 20 1.821 1.329 -9.147 1.00 0.00 C ATOM 243 O ALA A 20 2.428 2.360 -8.860 1.00 0.00 O ATOM 244 CB ALA A 20 0.001 1.773 -10.804 1.00 0.00 C ATOM 0 H ALA A 20 0.453 -0.809 -10.351 1.00 0.00 H new ATOM 0 HA ALA A 20 2.073 1.496 -11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.103 2.838 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.306 1.633 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.752 1.345 -10.142 1.00 0.00 H new ATOM 250 N TRP A 21 1.549 0.379 -8.260 1.00 0.00 N ATOM 251 CA TRP A 21 1.958 0.497 -6.864 1.00 0.00 C ATOM 252 C TRP A 21 2.670 -0.768 -6.397 1.00 0.00 C ATOM 253 O TRP A 21 3.696 -0.700 -5.720 1.00 0.00 O ATOM 254 CB TRP A 21 0.743 0.770 -5.977 1.00 0.00 C ATOM 255 CG TRP A 21 -0.391 -0.182 -6.211 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.465 0.008 -7.033 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.563 -1.473 -5.616 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.294 -1.086 -6.984 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.763 -2.009 -6.123 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.181 -2.229 -4.706 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.234 -3.264 -5.748 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.288 -3.474 -4.334 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.486 -3.983 -4.855 1.00 0.00 C ATOM 0 H TRP A 21 1.047 -0.481 -8.482 1.00 0.00 H new ATOM 0 HA TRP A 21 2.653 1.333 -6.784 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.046 0.713 -4.931 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.395 1.788 -6.153 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.637 0.889 -7.633 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.164 -1.194 -7.505 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.106 -1.847 -4.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.157 -3.657 -6.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.278 -4.066 -3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.825 -4.961 -4.546 1.00 0.00 H new ATOM 274 N TYR A 22 2.120 -1.921 -6.763 1.00 0.00 N ATOM 275 CA TYR A 22 2.702 -3.201 -6.379 1.00 0.00 C ATOM 276 C TYR A 22 4.079 -3.385 -7.010 1.00 0.00 C ATOM 277 O TYR A 22 4.195 -3.644 -8.208 1.00 0.00 O ATOM 278 CB TYR A 22 1.781 -4.349 -6.795 1.00 0.00 C ATOM 279 CG TYR A 22 2.176 -5.685 -6.208 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.561 -5.795 -4.877 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.163 -6.838 -6.984 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.924 -7.014 -4.337 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.522 -8.061 -6.451 1.00 0.00 C ATOM 284 CZ TYR A 22 2.902 -8.144 -5.128 1.00 0.00 C ATOM 285 OH TYR A 22 3.261 -9.360 -4.593 1.00 0.00 O ATOM 0 H TYR A 22 1.272 -1.995 -7.325 1.00 0.00 H new ATOM 0 HA TYR A 22 2.815 -3.209 -5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.761 -4.115 -6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.778 -4.426 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.577 -4.913 -4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.867 -6.777 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.223 -7.082 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.505 -8.948 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 22 4.096 -9.262 -4.089 1.00 0.00 H new ATOM 295 N MET A 23 5.120 -3.248 -6.195 1.00 0.00 N ATOM 296 CA MET A 23 6.489 -3.400 -6.672 1.00 0.00 C ATOM 297 C MET A 23 6.936 -4.856 -6.586 1.00 0.00 C ATOM 298 O MET A 23 8.055 -5.196 -6.969 1.00 0.00 O ATOM 299 CB MET A 23 7.437 -2.515 -5.860 1.00 0.00 C ATOM 300 CG MET A 23 6.943 -1.087 -5.696 1.00 0.00 C ATOM 301 SD MET A 23 7.516 0.002 -7.013 1.00 0.00 S ATOM 302 CE MET A 23 6.044 0.978 -7.310 1.00 0.00 C ATOM 0 H MET A 23 5.041 -3.032 -5.201 1.00 0.00 H new ATOM 0 HA MET A 23 6.519 -3.090 -7.716 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.579 -2.957 -4.874 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.413 -2.500 -6.346 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.853 -1.084 -5.676 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.281 -0.698 -4.735 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.165 1.547 -8.232 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.182 0.317 -7.401 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.889 1.664 -6.478 1.00 0.00 H new ATOM 312 N GLY A 24 6.053 -5.713 -6.081 1.00 0.00 N ATOM 313 CA GLY A 24 6.376 -7.122 -5.954 1.00 0.00 C ATOM 314 C GLY A 24 7.861 -7.362 -5.766 1.00 0.00 C ATOM 315 O GLY A 24 8.373 -7.375 -4.647 1.00 0.00 O ATOM 0 H GLY A 24 5.120 -5.456 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.833 -7.541 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.035 -7.651 -6.844 1.00 0.00 H new ATOM 319 N PRO A 25 8.578 -7.559 -6.882 1.00 0.00 N ATOM 320 CA PRO A 25 10.023 -7.805 -6.862 1.00 0.00 C ATOM 321 C PRO A 25 10.816 -6.568 -6.454 1.00 0.00 C ATOM 322 O PRO A 25 11.371 -5.867 -7.300 1.00 0.00 O ATOM 323 CB PRO A 25 10.339 -8.189 -8.310 1.00 0.00 C ATOM 324 CG PRO A 25 9.264 -7.544 -9.115 1.00 0.00 C ATOM 325 CD PRO A 25 8.034 -7.558 -8.251 1.00 0.00 C ATOM 0 HA PRO A 25 10.295 -8.570 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.325 -7.833 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.338 -9.271 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.538 -6.525 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.094 -8.087 -10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.405 -6.686 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.420 -8.439 -8.440 1.00 0.00 H new ATOM 333 N VAL A 26 10.865 -6.305 -5.152 1.00 0.00 N ATOM 334 CA VAL A 26 11.592 -5.152 -4.632 1.00 0.00 C ATOM 335 C VAL A 26 12.042 -5.390 -3.195 1.00 0.00 C ATOM 336 O VAL A 26 11.249 -5.788 -2.342 1.00 0.00 O ATOM 337 CB VAL A 26 10.731 -3.876 -4.684 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.329 -2.792 -3.800 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.589 -3.388 -6.118 1.00 0.00 C ATOM 0 H VAL A 26 10.410 -6.874 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 26 12.468 -5.016 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 26 9.737 -4.113 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.707 -1.898 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.374 -3.146 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.335 -2.554 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.978 -2.486 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.575 -3.167 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.112 -4.162 -6.720 1.00 0.00 H new ATOM 349 N SER A 27 13.322 -5.142 -2.934 1.00 0.00 N ATOM 350 CA SER A 27 13.880 -5.332 -1.600 1.00 0.00 C ATOM 351 C SER A 27 13.755 -4.057 -0.772 1.00 0.00 C ATOM 352 O SER A 27 13.551 -2.970 -1.313 1.00 0.00 O ATOM 353 CB SER A 27 15.349 -5.751 -1.693 1.00 0.00 C ATOM 354 OG SER A 27 15.471 -7.156 -1.826 1.00 0.00 O ATOM 0 H SER A 27 13.991 -4.809 -3.628 1.00 0.00 H new ATOM 0 HA SER A 27 13.315 -6.122 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.817 -5.260 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.882 -5.419 -0.802 1.00 0.00 H new ATOM 0 HG SER A 27 16.419 -7.398 -1.885 1.00 0.00 H new ATOM 360 N ARG A 28 13.878 -4.198 0.544 1.00 0.00 N ATOM 361 CA ARG A 28 13.778 -3.059 1.448 1.00 0.00 C ATOM 362 C ARG A 28 14.760 -1.961 1.050 1.00 0.00 C ATOM 363 O ARG A 28 14.372 -0.811 0.851 1.00 0.00 O ATOM 364 CB ARG A 28 14.043 -3.499 2.889 1.00 0.00 C ATOM 365 CG ARG A 28 13.788 -2.407 3.915 1.00 0.00 C ATOM 366 CD ARG A 28 14.217 -2.842 5.308 1.00 0.00 C ATOM 367 NE ARG A 28 15.637 -3.178 5.364 1.00 0.00 N ATOM 368 CZ ARG A 28 16.122 -4.375 5.054 1.00 0.00 C ATOM 369 NH1 ARG A 28 15.305 -5.345 4.668 1.00 0.00 N ATOM 370 NH2 ARG A 28 17.427 -4.604 5.129 1.00 0.00 N ATOM 0 H ARG A 28 14.047 -5.091 1.008 1.00 0.00 H new ATOM 0 HA ARG A 28 12.766 -2.660 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.412 -4.357 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.078 -3.832 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.330 -1.505 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.728 -2.153 3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.005 -2.043 6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.628 -3.706 5.615 1.00 0.00 H new ATOM 0 HE ARG A 28 16.292 -2.454 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.301 -5.173 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.680 -6.263 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.059 -3.860 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.798 -5.524 4.891 1.00 0.00 H new ATOM 384 N GLN A 29 16.034 -2.326 0.938 1.00 0.00 N ATOM 385 CA GLN A 29 17.071 -1.372 0.566 1.00 0.00 C ATOM 386 C GLN A 29 16.631 -0.526 -0.624 1.00 0.00 C ATOM 387 O GLN A 29 17.023 0.634 -0.751 1.00 0.00 O ATOM 388 CB GLN A 29 18.372 -2.105 0.232 1.00 0.00 C ATOM 389 CG GLN A 29 18.250 -3.051 -0.952 1.00 0.00 C ATOM 390 CD GLN A 29 19.598 -3.455 -1.517 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.219 -4.409 -1.048 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.057 -2.729 -2.530 1.00 0.00 N ATOM 0 H GLN A 29 16.372 -3.275 1.100 1.00 0.00 H new ATOM 0 HA GLN A 29 17.242 -0.711 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.149 -1.371 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.696 -2.670 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.707 -3.944 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.660 -2.573 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.508 -1.947 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.958 -2.954 -2.951 1.00 0.00 H new ATOM 401 N GLU A 30 15.815 -1.113 -1.492 1.00 0.00 N ATOM 402 CA GLU A 30 15.323 -0.412 -2.672 1.00 0.00 C ATOM 403 C GLU A 30 14.112 0.451 -2.327 1.00 0.00 C ATOM 404 O GLU A 30 14.195 1.678 -2.316 1.00 0.00 O ATOM 405 CB GLU A 30 14.954 -1.412 -3.770 1.00 0.00 C ATOM 406 CG GLU A 30 14.668 -0.763 -5.114 1.00 0.00 C ATOM 407 CD GLU A 30 15.029 -1.658 -6.283 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.251 -2.588 -6.582 1.00 0.00 O ATOM 409 OE2 GLU A 30 16.090 -1.428 -6.900 1.00 0.00 O ATOM 0 H GLU A 30 15.480 -2.072 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 30 16.119 0.238 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.769 -2.127 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.077 -1.977 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.610 -0.506 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.227 0.170 -5.189 1.00 0.00 H new ATOM 416 N ALA A 31 12.989 -0.202 -2.047 1.00 0.00 N ATOM 417 CA ALA A 31 11.761 0.504 -1.701 1.00 0.00 C ATOM 418 C ALA A 31 12.061 1.756 -0.883 1.00 0.00 C ATOM 419 O ALA A 31 11.318 2.736 -0.939 1.00 0.00 O ATOM 420 CB ALA A 31 10.821 -0.415 -0.935 1.00 0.00 C ATOM 0 H ALA A 31 12.904 -1.218 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 31 11.275 0.812 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.909 0.126 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.573 -1.278 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.307 -0.752 -0.019 1.00 0.00 H new ATOM 426 N GLN A 32 13.152 1.716 -0.126 1.00 0.00 N ATOM 427 CA GLN A 32 13.547 2.848 0.704 1.00 0.00 C ATOM 428 C GLN A 32 14.086 3.989 -0.153 1.00 0.00 C ATOM 429 O GLN A 32 13.624 5.126 -0.055 1.00 0.00 O ATOM 430 CB GLN A 32 14.604 2.417 1.723 1.00 0.00 C ATOM 431 CG GLN A 32 14.017 1.897 3.025 1.00 0.00 C ATOM 432 CD GLN A 32 14.953 2.081 4.202 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.449 1.110 4.775 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.202 3.333 4.571 1.00 0.00 N ATOM 0 H GLN A 32 13.778 0.913 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 32 12.664 3.202 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.229 1.641 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.254 3.264 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.079 2.413 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.781 0.838 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.770 4.108 4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.825 3.519 5.357 1.00 0.00 H new ATOM 443 N THR A 33 15.068 3.678 -0.994 1.00 0.00 N ATOM 444 CA THR A 33 15.671 4.677 -1.867 1.00 0.00 C ATOM 445 C THR A 33 14.626 5.318 -2.773 1.00 0.00 C ATOM 446 O THR A 33 14.815 6.432 -3.263 1.00 0.00 O ATOM 447 CB THR A 33 16.783 4.064 -2.738 1.00 0.00 C ATOM 448 OG1 THR A 33 17.644 5.096 -3.232 1.00 0.00 O ATOM 449 CG2 THR A 33 16.191 3.289 -3.906 1.00 0.00 C ATOM 0 H THR A 33 15.462 2.742 -1.089 1.00 0.00 H new ATOM 0 HA THR A 33 16.105 5.440 -1.221 1.00 0.00 H new ATOM 0 HB THR A 33 17.359 3.375 -2.120 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.349 4.697 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.996 2.865 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.560 2.485 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.593 3.960 -4.522 1.00 0.00 H new ATOM 457 N ARG A 34 13.524 4.609 -2.992 1.00 0.00 N ATOM 458 CA ARG A 34 12.449 5.109 -3.840 1.00 0.00 C ATOM 459 C ARG A 34 11.591 6.123 -3.089 1.00 0.00 C ATOM 460 O ARG A 34 11.109 7.096 -3.671 1.00 0.00 O ATOM 461 CB ARG A 34 11.578 3.952 -4.332 1.00 0.00 C ATOM 462 CG ARG A 34 12.342 2.652 -4.521 1.00 0.00 C ATOM 463 CD ARG A 34 11.601 1.699 -5.446 1.00 0.00 C ATOM 464 NE ARG A 34 11.891 1.965 -6.852 1.00 0.00 N ATOM 465 CZ ARG A 34 11.149 2.755 -7.620 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.077 3.355 -7.119 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.478 2.947 -8.891 1.00 0.00 N ATOM 0 H ARG A 34 13.352 3.686 -2.594 1.00 0.00 H new ATOM 0 HA ARG A 34 12.899 5.606 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.770 3.788 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.116 4.233 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.329 2.865 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.496 2.175 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.878 0.672 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.528 1.788 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 34 12.709 1.519 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.821 3.210 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.509 3.961 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.302 2.488 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.907 3.554 -9.479 1.00 0.00 H new ATOM 481 N LEU A 35 11.404 5.889 -1.795 1.00 0.00 N ATOM 482 CA LEU A 35 10.603 6.781 -0.964 1.00 0.00 C ATOM 483 C LEU A 35 11.490 7.589 -0.022 1.00 0.00 C ATOM 484 O LEU A 35 10.996 8.344 0.815 1.00 0.00 O ATOM 485 CB LEU A 35 9.581 5.978 -0.158 1.00 0.00 C ATOM 486 CG LEU A 35 8.719 4.997 -0.954 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.136 3.933 -0.037 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.611 5.736 -1.689 1.00 0.00 C ATOM 0 H LEU A 35 11.796 5.089 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 35 10.075 7.473 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.113 5.420 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.921 6.678 0.354 1.00 0.00 H new ATOM 0 HG LEU A 35 9.351 4.504 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.526 3.244 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.945 3.383 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.518 4.408 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.008 5.022 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.981 6.257 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.050 6.459 -2.376 1.00 0.00 H new ATOM 500 N GLN A 36 12.801 7.425 -0.165 1.00 0.00 N ATOM 501 CA GLN A 36 13.756 8.140 0.673 1.00 0.00 C ATOM 502 C GLN A 36 13.993 9.552 0.145 1.00 0.00 C ATOM 503 O GLN A 36 14.478 9.735 -0.971 1.00 0.00 O ATOM 504 CB GLN A 36 15.081 7.379 0.737 1.00 0.00 C ATOM 505 CG GLN A 36 16.211 8.176 1.367 1.00 0.00 C ATOM 506 CD GLN A 36 16.147 8.184 2.882 1.00 0.00 C ATOM 507 OE1 GLN A 36 15.115 8.818 3.427 1.00 0.00 O flip ATOM 508 NE2 GLN A 36 17.014 7.627 3.554 1.00 0.00 N flip ATOM 0 H GLN A 36 13.226 6.803 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 36 13.337 8.212 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.935 6.460 1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.372 7.087 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.166 7.757 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.175 9.202 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.790 7.152 3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.957 7.641 4.572 1.00 0.00 H new ATOM 517 N GLY A 37 13.646 10.547 0.955 1.00 0.00 N ATOM 518 CA GLY A 37 13.828 11.930 0.552 1.00 0.00 C ATOM 519 C GLY A 37 12.699 12.430 -0.327 1.00 0.00 C ATOM 520 O GLY A 37 12.478 13.636 -0.437 1.00 0.00 O ATOM 0 H GLY A 37 13.242 10.421 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.898 12.558 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.772 12.028 0.016 1.00 0.00 H new ATOM 524 N GLN A 38 11.983 11.503 -0.955 1.00 0.00 N ATOM 525 CA GLN A 38 10.873 11.858 -1.830 1.00 0.00 C ATOM 526 C GLN A 38 9.825 12.671 -1.078 1.00 0.00 C ATOM 527 O GLN A 38 9.873 12.781 0.148 1.00 0.00 O ATOM 528 CB GLN A 38 10.234 10.597 -2.415 1.00 0.00 C ATOM 529 CG GLN A 38 11.049 9.964 -3.531 1.00 0.00 C ATOM 530 CD GLN A 38 11.713 10.993 -4.425 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.927 10.965 -4.628 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.918 11.909 -4.966 1.00 0.00 N ATOM 0 H GLN A 38 12.152 10.500 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 38 11.265 12.469 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.096 9.866 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.243 10.845 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.813 9.319 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.400 9.329 -4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.917 11.895 -4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.308 12.627 -5.577 1.00 0.00 H new ATOM 541 N ARG A 39 8.879 13.239 -1.819 1.00 0.00 N ATOM 542 CA ARG A 39 7.820 14.044 -1.221 1.00 0.00 C ATOM 543 C ARG A 39 6.939 13.193 -0.312 1.00 0.00 C ATOM 544 O ARG A 39 6.837 11.978 -0.488 1.00 0.00 O ATOM 545 CB ARG A 39 6.968 14.695 -2.312 1.00 0.00 C ATOM 546 CG ARG A 39 6.258 13.694 -3.208 1.00 0.00 C ATOM 547 CD ARG A 39 4.878 13.346 -2.671 1.00 0.00 C ATOM 548 NE ARG A 39 3.938 13.026 -3.742 1.00 0.00 N ATOM 549 CZ ARG A 39 3.352 13.944 -4.503 1.00 0.00 C ATOM 550 NH1 ARG A 39 3.608 15.231 -4.312 1.00 0.00 N ATOM 551 NH2 ARG A 39 2.508 13.574 -5.458 1.00 0.00 N ATOM 0 H ARG A 39 8.824 13.157 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 39 8.286 14.825 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.226 15.342 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.604 15.332 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.165 14.105 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.857 12.787 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.957 12.497 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.493 14.184 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 39 3.720 12.045 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.256 15.519 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.156 15.933 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.309 12.585 -5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.058 14.279 -6.042 1.00 0.00 H new ATOM 565 N HIS A 40 6.304 13.839 0.661 1.00 0.00 N ATOM 566 CA HIS A 40 5.430 13.142 1.599 1.00 0.00 C ATOM 567 C HIS A 40 4.162 12.659 0.903 1.00 0.00 C ATOM 568 O HIS A 40 3.434 13.446 0.300 1.00 0.00 O ATOM 569 CB HIS A 40 5.067 14.058 2.768 1.00 0.00 C ATOM 570 CG HIS A 40 6.121 14.119 3.831 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.075 15.005 4.886 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.253 13.395 3.998 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.134 14.825 5.655 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.864 13.853 5.139 1.00 0.00 N ATOM 0 H HIS A 40 6.378 14.844 0.821 1.00 0.00 H new ATOM 0 HA HIS A 40 5.967 12.274 1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.887 15.064 2.388 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.134 13.713 3.213 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.339 15.692 5.048 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.609 12.605 3.354 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.364 15.379 6.553 1.00 0.00 H new ATOM 583 N GLY A 41 3.903 11.357 0.990 1.00 0.00 N ATOM 584 CA GLY A 41 2.723 10.791 0.363 1.00 0.00 C ATOM 585 C GLY A 41 3.033 9.541 -0.435 1.00 0.00 C ATOM 586 O GLY A 41 2.260 8.584 -0.427 1.00 0.00 O ATOM 0 H GLY A 41 4.490 10.685 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.986 10.555 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.272 11.535 -0.294 1.00 0.00 H new ATOM 590 N MET A 42 4.167 9.549 -1.128 1.00 0.00 N ATOM 591 CA MET A 42 4.577 8.407 -1.936 1.00 0.00 C ATOM 592 C MET A 42 4.397 7.103 -1.165 1.00 0.00 C ATOM 593 O MET A 42 4.606 7.054 0.048 1.00 0.00 O ATOM 594 CB MET A 42 6.037 8.559 -2.370 1.00 0.00 C ATOM 595 CG MET A 42 6.359 7.853 -3.677 1.00 0.00 C ATOM 596 SD MET A 42 7.955 8.344 -4.357 1.00 0.00 S ATOM 597 CE MET A 42 7.546 9.938 -5.065 1.00 0.00 C ATOM 0 H MET A 42 4.818 10.334 -1.146 1.00 0.00 H new ATOM 0 HA MET A 42 3.944 8.375 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.268 9.619 -2.473 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.684 8.166 -1.585 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.354 6.775 -3.514 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.577 8.069 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.371 10.281 -5.689 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.645 9.846 -5.672 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.372 10.658 -4.265 1.00 0.00 H new ATOM 607 N PHE A 43 4.009 6.049 -1.875 1.00 0.00 N ATOM 608 CA PHE A 43 3.800 4.745 -1.256 1.00 0.00 C ATOM 609 C PHE A 43 4.081 3.621 -2.249 1.00 0.00 C ATOM 610 O PHE A 43 4.272 3.863 -3.442 1.00 0.00 O ATOM 611 CB PHE A 43 2.368 4.630 -0.730 1.00 0.00 C ATOM 612 CG PHE A 43 1.387 4.151 -1.761 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.249 2.799 -2.030 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.602 5.053 -2.462 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.347 2.356 -2.979 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.301 4.616 -3.412 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.430 3.265 -3.670 1.00 0.00 C ATOM 0 H PHE A 43 3.833 6.072 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 43 4.495 4.651 -0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.355 3.945 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.047 5.603 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.853 2.083 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.697 6.110 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.250 1.299 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.905 5.330 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.137 2.920 -4.410 1.00 0.00 H new ATOM 627 N LEU A 44 4.104 2.390 -1.749 1.00 0.00 N ATOM 628 CA LEU A 44 4.361 1.227 -2.591 1.00 0.00 C ATOM 629 C LEU A 44 4.206 -0.066 -1.796 1.00 0.00 C ATOM 630 O LEU A 44 4.459 -0.101 -0.592 1.00 0.00 O ATOM 631 CB LEU A 44 5.768 1.306 -3.188 1.00 0.00 C ATOM 632 CG LEU A 44 6.925 1.235 -2.191 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.314 -0.211 -1.927 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.119 2.026 -2.703 1.00 0.00 C ATOM 0 H LEU A 44 3.948 2.172 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 44 3.629 1.225 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.883 0.494 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.852 2.238 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 44 6.597 1.679 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.139 -0.242 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.460 -0.748 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.623 -0.681 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.933 1.964 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.448 1.612 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.833 3.069 -2.839 1.00 0.00 H new ATOM 646 N VAL A 45 3.789 -1.127 -2.479 1.00 0.00 N ATOM 647 CA VAL A 45 3.603 -2.423 -1.837 1.00 0.00 C ATOM 648 C VAL A 45 4.485 -3.487 -2.481 1.00 0.00 C ATOM 649 O VAL A 45 4.404 -3.729 -3.686 1.00 0.00 O ATOM 650 CB VAL A 45 2.133 -2.879 -1.909 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.930 -4.155 -1.106 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.209 -1.776 -1.416 1.00 0.00 C ATOM 0 H VAL A 45 3.574 -1.115 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 45 3.888 -2.302 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 45 1.886 -3.090 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.886 -4.462 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.565 -4.944 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.193 -3.975 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.175 -2.115 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.454 -1.531 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.336 -0.890 -2.038 1.00 0.00 H new ATOM 662 N ARG A 46 5.327 -4.120 -1.671 1.00 0.00 N ATOM 663 CA ARG A 46 6.226 -5.158 -2.161 1.00 0.00 C ATOM 664 C ARG A 46 6.048 -6.449 -1.369 1.00 0.00 C ATOM 665 O ARG A 46 5.231 -6.519 -0.450 1.00 0.00 O ATOM 666 CB ARG A 46 7.679 -4.688 -2.072 1.00 0.00 C ATOM 667 CG ARG A 46 8.069 -4.174 -0.696 1.00 0.00 C ATOM 668 CD ARG A 46 9.277 -3.253 -0.767 1.00 0.00 C ATOM 669 NE ARG A 46 10.092 -3.324 0.443 1.00 0.00 N ATOM 670 CZ ARG A 46 10.688 -4.434 0.863 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.562 -5.559 0.174 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.413 -4.418 1.974 1.00 0.00 N ATOM 0 H ARG A 46 5.405 -3.932 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 46 5.979 -5.355 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.337 -5.514 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.842 -3.898 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.228 -3.639 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.291 -5.017 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.886 -3.520 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.942 -2.227 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 46 10.210 -2.475 0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.006 -5.574 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.021 -6.410 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.513 -3.553 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.871 -5.271 2.297 1.00 0.00 H new ATOM 686 N ASP A 47 6.817 -7.470 -1.732 1.00 0.00 N ATOM 687 CA ASP A 47 6.745 -8.760 -1.055 1.00 0.00 C ATOM 688 C ASP A 47 7.569 -8.747 0.228 1.00 0.00 C ATOM 689 O ASP A 47 8.799 -8.710 0.187 1.00 0.00 O ATOM 690 CB ASP A 47 7.237 -9.874 -1.981 1.00 0.00 C ATOM 691 CG ASP A 47 6.393 -10.000 -3.234 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.180 -10.271 -3.108 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.945 -9.827 -4.340 1.00 0.00 O ATOM 0 H ASP A 47 7.497 -7.429 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 47 5.703 -8.948 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.272 -9.679 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.226 -10.822 -1.442 1.00 0.00 H new ATOM 698 N SER A 48 6.884 -8.776 1.366 1.00 0.00 N ATOM 699 CA SER A 48 7.552 -8.762 2.662 1.00 0.00 C ATOM 700 C SER A 48 8.693 -9.775 2.696 1.00 0.00 C ATOM 701 O SER A 48 8.686 -10.759 1.956 1.00 0.00 O ATOM 702 CB SER A 48 6.552 -9.067 3.779 1.00 0.00 C ATOM 703 OG SER A 48 6.530 -10.451 4.081 1.00 0.00 O ATOM 0 H SER A 48 5.866 -8.809 1.417 1.00 0.00 H new ATOM 0 HA SER A 48 7.967 -7.766 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.816 -8.501 4.672 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.556 -8.741 3.478 1.00 0.00 H new ATOM 0 HG SER A 48 7.013 -10.611 4.919 1.00 0.00 H new ATOM 709 N SER A 49 9.672 -9.526 3.559 1.00 0.00 N ATOM 710 CA SER A 49 10.822 -10.413 3.688 1.00 0.00 C ATOM 711 C SER A 49 10.937 -10.952 5.110 1.00 0.00 C ATOM 712 O SER A 49 11.348 -12.093 5.325 1.00 0.00 O ATOM 713 CB SER A 49 12.107 -9.676 3.304 1.00 0.00 C ATOM 714 OG SER A 49 13.125 -10.588 2.930 1.00 0.00 O ATOM 0 H SER A 49 9.692 -8.717 4.180 1.00 0.00 H new ATOM 0 HA SER A 49 10.678 -11.255 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.905 -8.993 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.447 -9.070 4.144 1.00 0.00 H new ATOM 0 HG SER A 49 13.935 -10.093 2.688 1.00 0.00 H new ATOM 720 N THR A 50 10.570 -10.122 6.082 1.00 0.00 N ATOM 721 CA THR A 50 10.632 -10.512 7.485 1.00 0.00 C ATOM 722 C THR A 50 9.466 -11.421 7.855 1.00 0.00 C ATOM 723 O THR A 50 9.637 -12.403 8.579 1.00 0.00 O ATOM 724 CB THR A 50 10.623 -9.281 8.411 1.00 0.00 C ATOM 725 OG1 THR A 50 9.423 -8.526 8.211 1.00 0.00 O ATOM 726 CG2 THR A 50 11.834 -8.398 8.150 1.00 0.00 C ATOM 0 H THR A 50 10.227 -9.175 5.923 1.00 0.00 H new ATOM 0 HA THR A 50 11.568 -11.053 7.622 1.00 0.00 H new ATOM 0 HB THR A 50 10.664 -9.630 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.424 -7.746 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.806 -7.535 8.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.745 -8.967 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.820 -8.058 7.115 1.00 0.00 H new ATOM 734 N CYS A 51 8.282 -11.089 7.354 1.00 0.00 N ATOM 735 CA CYS A 51 7.086 -11.877 7.632 1.00 0.00 C ATOM 736 C CYS A 51 6.816 -12.872 6.508 1.00 0.00 C ATOM 737 O CYS A 51 7.025 -12.585 5.329 1.00 0.00 O ATOM 738 CB CYS A 51 5.877 -10.959 7.818 1.00 0.00 C ATOM 739 SG CYS A 51 5.924 -9.974 9.333 1.00 0.00 S ATOM 0 H CYS A 51 8.124 -10.280 6.753 1.00 0.00 H new ATOM 0 HA CYS A 51 7.255 -12.435 8.553 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.810 -10.287 6.962 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.971 -11.565 7.819 1.00 0.00 H new ATOM 0 HG CYS A 51 4.724 -9.565 9.622 1.00 0.00 H new ATOM 745 N PRO A 52 6.343 -14.071 6.880 1.00 0.00 N ATOM 746 CA PRO A 52 6.036 -15.133 5.918 1.00 0.00 C ATOM 747 C PRO A 52 4.816 -14.807 5.064 1.00 0.00 C ATOM 748 O PRO A 52 3.792 -14.354 5.574 1.00 0.00 O ATOM 749 CB PRO A 52 5.757 -16.347 6.807 1.00 0.00 C ATOM 750 CG PRO A 52 5.314 -15.770 8.108 1.00 0.00 C ATOM 751 CD PRO A 52 6.071 -14.481 8.268 1.00 0.00 C ATOM 0 HA PRO A 52 6.848 -15.286 5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.987 -16.986 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.649 -16.961 6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.238 -15.594 8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.527 -16.453 8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.483 -13.733 8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.992 -14.623 8.833 1.00 0.00 H new ATOM 759 N GLY A 53 4.932 -15.041 3.760 1.00 0.00 N ATOM 760 CA GLY A 53 3.830 -14.767 2.856 1.00 0.00 C ATOM 761 C GLY A 53 3.027 -13.551 3.273 1.00 0.00 C ATOM 762 O GLY A 53 1.805 -13.622 3.409 1.00 0.00 O ATOM 0 H GLY A 53 5.769 -15.415 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.219 -14.614 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.173 -15.636 2.815 1.00 0.00 H new ATOM 766 N ASP A 54 3.714 -12.432 3.480 1.00 0.00 N ATOM 767 CA ASP A 54 3.056 -11.195 3.885 1.00 0.00 C ATOM 768 C ASP A 54 3.511 -10.028 3.015 1.00 0.00 C ATOM 769 O ASP A 54 4.432 -10.163 2.208 1.00 0.00 O ATOM 770 CB ASP A 54 3.350 -10.895 5.356 1.00 0.00 C ATOM 771 CG ASP A 54 2.358 -11.558 6.291 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.272 -11.958 5.819 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.666 -11.678 7.495 1.00 0.00 O ATOM 0 H ASP A 54 4.726 -12.356 3.374 1.00 0.00 H new ATOM 0 HA ASP A 54 1.981 -11.324 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.357 -11.235 5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.330 -9.817 5.515 1.00 0.00 H new ATOM 778 N TYR A 55 2.859 -8.883 3.183 1.00 0.00 N ATOM 779 CA TYR A 55 3.194 -7.693 2.410 1.00 0.00 C ATOM 780 C TYR A 55 3.673 -6.567 3.322 1.00 0.00 C ATOM 781 O TYR A 55 3.494 -6.620 4.539 1.00 0.00 O ATOM 782 CB TYR A 55 1.982 -7.227 1.600 1.00 0.00 C ATOM 783 CG TYR A 55 1.574 -8.193 0.511 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.398 -8.425 -0.583 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.364 -8.874 0.576 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.029 -9.306 -1.581 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.012 -9.758 -0.416 1.00 0.00 C ATOM 788 CZ TYR A 55 0.824 -9.971 -1.493 1.00 0.00 C ATOM 789 OH TYR A 55 0.452 -10.850 -2.484 1.00 0.00 O ATOM 0 H TYR A 55 2.096 -8.754 3.847 1.00 0.00 H new ATOM 0 HA TYR A 55 4.003 -7.951 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.140 -7.077 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.206 -6.260 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.343 -7.908 -0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.293 -8.709 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.681 -9.473 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.955 -10.280 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.423 -11.234 -2.269 1.00 0.00 H new ATOM 799 N VAL A 56 4.282 -5.549 2.724 1.00 0.00 N ATOM 800 CA VAL A 56 4.786 -4.409 3.481 1.00 0.00 C ATOM 801 C VAL A 56 4.542 -3.102 2.734 1.00 0.00 C ATOM 802 O VAL A 56 5.187 -2.823 1.722 1.00 0.00 O ATOM 803 CB VAL A 56 6.293 -4.549 3.770 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.828 -3.289 4.434 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.557 -5.771 4.636 1.00 0.00 C ATOM 0 H VAL A 56 4.439 -5.490 1.718 1.00 0.00 H new ATOM 0 HA VAL A 56 4.243 -4.391 4.426 1.00 0.00 H new ATOM 0 HB VAL A 56 6.817 -4.683 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.894 -3.406 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.672 -2.436 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.302 -3.121 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.626 -5.855 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.023 -5.670 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.211 -6.666 4.118 1.00 0.00 H new ATOM 815 N LEU A 57 3.609 -2.304 3.239 1.00 0.00 N ATOM 816 CA LEU A 57 3.279 -1.025 2.620 1.00 0.00 C ATOM 817 C LEU A 57 4.297 0.045 3.005 1.00 0.00 C ATOM 818 O LEU A 57 4.303 0.531 4.136 1.00 0.00 O ATOM 819 CB LEU A 57 1.875 -0.582 3.035 1.00 0.00 C ATOM 820 CG LEU A 57 1.274 0.577 2.238 1.00 0.00 C ATOM 821 CD1 LEU A 57 0.345 1.402 3.115 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.375 1.450 1.654 1.00 0.00 C ATOM 0 H LEU A 57 3.067 -2.520 4.076 1.00 0.00 H new ATOM 0 HA LEU A 57 3.307 -1.155 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.206 -1.439 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.901 -0.298 4.087 1.00 0.00 H new ATOM 0 HG LEU A 57 0.691 0.164 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.073 2.222 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.463 0.770 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.905 1.806 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.929 2.269 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.985 1.855 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.001 0.852 0.991 1.00 0.00 H new ATOM 834 N SER A 58 5.154 0.407 2.057 1.00 0.00 N ATOM 835 CA SER A 58 6.177 1.418 2.297 1.00 0.00 C ATOM 836 C SER A 58 5.719 2.785 1.795 1.00 0.00 C ATOM 837 O SER A 58 5.207 2.911 0.683 1.00 0.00 O ATOM 838 CB SER A 58 7.486 1.023 1.610 1.00 0.00 C ATOM 839 OG SER A 58 7.867 -0.296 1.960 1.00 0.00 O ATOM 0 H SER A 58 5.161 0.015 1.115 1.00 0.00 H new ATOM 0 HA SER A 58 6.344 1.482 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.370 1.097 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.274 1.720 1.894 1.00 0.00 H new ATOM 0 HG SER A 58 8.404 -0.275 2.779 1.00 0.00 H new ATOM 845 N VAL A 59 5.907 3.806 2.625 1.00 0.00 N ATOM 846 CA VAL A 59 5.515 5.164 2.267 1.00 0.00 C ATOM 847 C VAL A 59 6.506 6.185 2.815 1.00 0.00 C ATOM 848 O VAL A 59 7.184 5.934 3.811 1.00 0.00 O ATOM 849 CB VAL A 59 4.107 5.499 2.794 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.208 4.273 2.733 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.184 6.043 4.212 1.00 0.00 C ATOM 0 H VAL A 59 6.328 3.719 3.550 1.00 0.00 H new ATOM 0 HA VAL A 59 5.510 5.215 1.178 1.00 0.00 H new ATOM 0 HB VAL A 59 3.674 6.270 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.218 4.529 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.127 3.932 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.634 3.478 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.180 6.274 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.637 5.296 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.790 6.949 4.222 1.00 0.00 H new ATOM 861 N SER A 60 6.585 7.337 2.156 1.00 0.00 N ATOM 862 CA SER A 60 7.497 8.395 2.575 1.00 0.00 C ATOM 863 C SER A 60 6.831 9.313 3.595 1.00 0.00 C ATOM 864 O SER A 60 6.035 10.181 3.238 1.00 0.00 O ATOM 865 CB SER A 60 7.957 9.209 1.364 1.00 0.00 C ATOM 866 OG SER A 60 9.084 10.006 1.684 1.00 0.00 O ATOM 0 H SER A 60 6.029 7.561 1.331 1.00 0.00 H new ATOM 0 HA SER A 60 8.365 7.930 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.205 8.537 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.143 9.847 1.020 1.00 0.00 H new ATOM 0 HG SER A 60 9.896 9.578 1.340 1.00 0.00 H new ATOM 872 N GLU A 61 7.163 9.114 4.867 1.00 0.00 N ATOM 873 CA GLU A 61 6.597 9.924 5.939 1.00 0.00 C ATOM 874 C GLU A 61 7.581 10.057 7.098 1.00 0.00 C ATOM 875 O GLU A 61 8.360 9.145 7.373 1.00 0.00 O ATOM 876 CB GLU A 61 5.288 9.307 6.436 1.00 0.00 C ATOM 877 CG GLU A 61 4.606 10.121 7.524 1.00 0.00 C ATOM 878 CD GLU A 61 3.708 9.277 8.407 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.227 8.652 9.356 1.00 0.00 O ATOM 880 OE2 GLU A 61 2.486 9.241 8.150 1.00 0.00 O ATOM 0 H GLU A 61 7.820 8.400 5.180 1.00 0.00 H new ATOM 0 HA GLU A 61 6.395 10.918 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.605 9.197 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.489 8.305 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.364 10.605 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.016 10.914 7.064 1.00 0.00 H new ATOM 887 N ASN A 62 7.539 11.201 7.773 1.00 0.00 N ATOM 888 CA ASN A 62 8.427 11.455 8.902 1.00 0.00 C ATOM 889 C ASN A 62 9.889 11.310 8.487 1.00 0.00 C ATOM 890 O ASN A 62 10.643 10.548 9.091 1.00 0.00 O ATOM 891 CB ASN A 62 8.114 10.495 10.051 1.00 0.00 C ATOM 892 CG ASN A 62 6.932 10.954 10.882 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.921 12.070 11.403 1.00 0.00 O ATOM 894 ND2 ASN A 62 5.929 10.093 11.011 1.00 0.00 N ATOM 0 H ASN A 62 6.900 11.967 7.558 1.00 0.00 H new ATOM 0 HA ASN A 62 8.262 12.479 9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.907 9.504 9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.991 10.402 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.107 10.346 11.559 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.981 9.179 10.562 1.00 0.00 H new ATOM 901 N SER A 63 10.281 12.048 7.454 1.00 0.00 N ATOM 902 CA SER A 63 11.651 12.000 6.956 1.00 0.00 C ATOM 903 C SER A 63 12.168 10.565 6.927 1.00 0.00 C ATOM 904 O SER A 63 13.364 10.321 7.087 1.00 0.00 O ATOM 905 CB SER A 63 12.563 12.866 7.827 1.00 0.00 C ATOM 906 OG SER A 63 13.806 13.101 7.188 1.00 0.00 O ATOM 0 H SER A 63 9.670 12.687 6.945 1.00 0.00 H new ATOM 0 HA SER A 63 11.656 12.390 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.074 13.817 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.730 12.374 8.785 1.00 0.00 H new ATOM 0 HG SER A 63 14.213 12.245 6.940 1.00 0.00 H new ATOM 912 N ARG A 64 11.258 9.619 6.721 1.00 0.00 N ATOM 913 CA ARG A 64 11.620 8.208 6.672 1.00 0.00 C ATOM 914 C ARG A 64 10.607 7.414 5.853 1.00 0.00 C ATOM 915 O ARG A 64 9.605 7.959 5.389 1.00 0.00 O ATOM 916 CB ARG A 64 11.711 7.633 8.087 1.00 0.00 C ATOM 917 CG ARG A 64 10.357 7.407 8.740 1.00 0.00 C ATOM 918 CD ARG A 64 10.420 6.305 9.787 1.00 0.00 C ATOM 919 NE ARG A 64 9.234 6.291 10.639 1.00 0.00 N ATOM 920 CZ ARG A 64 9.061 7.110 11.670 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.991 8.004 11.975 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.954 7.036 12.398 1.00 0.00 N ATOM 0 H ARG A 64 10.264 9.804 6.585 1.00 0.00 H new ATOM 0 HA ARG A 64 12.594 8.126 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.251 6.687 8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.296 8.311 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.017 8.333 9.204 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.623 7.145 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.522 5.340 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.308 6.442 10.404 1.00 0.00 H new ATOM 0 HE ARG A 64 8.499 5.616 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.843 8.064 11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.855 8.631 12.768 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.236 6.350 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.821 7.665 13.190 1.00 0.00 H new ATOM 936 N VAL A 65 10.874 6.124 5.679 1.00 0.00 N ATOM 937 CA VAL A 65 9.986 5.254 4.917 1.00 0.00 C ATOM 938 C VAL A 65 9.173 4.353 5.840 1.00 0.00 C ATOM 939 O VAL A 65 9.671 3.340 6.331 1.00 0.00 O ATOM 940 CB VAL A 65 10.773 4.378 3.925 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.824 3.646 2.989 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.764 5.223 3.138 1.00 0.00 C ATOM 0 H VAL A 65 11.699 5.658 6.056 1.00 0.00 H new ATOM 0 HA VAL A 65 9.310 5.903 4.360 1.00 0.00 H new ATOM 0 HB VAL A 65 11.333 3.634 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.399 3.032 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.158 3.009 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.234 4.371 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.311 4.588 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.226 5.991 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.465 5.696 3.825 1.00 0.00 H new ATOM 952 N SER A 66 7.920 4.729 6.072 1.00 0.00 N ATOM 953 CA SER A 66 7.038 3.957 6.939 1.00 0.00 C ATOM 954 C SER A 66 6.768 2.576 6.348 1.00 0.00 C ATOM 955 O SER A 66 6.108 2.448 5.316 1.00 0.00 O ATOM 956 CB SER A 66 5.718 4.700 7.152 1.00 0.00 C ATOM 957 OG SER A 66 5.192 4.446 8.443 1.00 0.00 O ATOM 0 H SER A 66 7.492 5.564 5.672 1.00 0.00 H new ATOM 0 HA SER A 66 7.535 3.831 7.901 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.875 5.771 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.997 4.391 6.395 1.00 0.00 H new ATOM 0 HG SER A 66 4.375 3.910 8.364 1.00 0.00 H new ATOM 963 N HIS A 67 7.283 1.545 7.010 1.00 0.00 N ATOM 964 CA HIS A 67 7.097 0.173 6.551 1.00 0.00 C ATOM 965 C HIS A 67 5.949 -0.499 7.298 1.00 0.00 C ATOM 966 O HIS A 67 6.166 -1.222 8.270 1.00 0.00 O ATOM 967 CB HIS A 67 8.384 -0.630 6.743 1.00 0.00 C ATOM 968 CG HIS A 67 9.509 -0.178 5.863 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.680 -0.627 4.570 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.522 0.689 6.096 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.750 -0.056 4.047 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.279 0.747 4.952 1.00 0.00 N ATOM 0 H HIS A 67 7.832 1.633 7.865 1.00 0.00 H new ATOM 0 HA HIS A 67 6.850 0.202 5.490 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.696 -0.556 7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.179 -1.682 6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.701 1.234 7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.128 -0.218 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.114 1.318 4.822 1.00 0.00 H new ATOM 981 N TYR A 68 4.727 -0.255 6.837 1.00 0.00 N ATOM 982 CA TYR A 68 3.544 -0.833 7.463 1.00 0.00 C ATOM 983 C TYR A 68 3.359 -2.287 7.040 1.00 0.00 C ATOM 984 O TYR A 68 3.100 -2.577 5.871 1.00 0.00 O ATOM 985 CB TYR A 68 2.300 -0.022 7.098 1.00 0.00 C ATOM 986 CG TYR A 68 2.400 1.440 7.470 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.547 1.833 8.794 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.348 2.429 6.495 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.638 3.168 9.138 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.440 3.767 6.829 1.00 0.00 C ATOM 991 CZ TYR A 68 2.584 4.131 8.152 1.00 0.00 C ATOM 992 OH TYR A 68 2.676 5.461 8.490 1.00 0.00 O ATOM 0 H TYR A 68 4.530 0.339 6.032 1.00 0.00 H new ATOM 0 HA TYR A 68 3.685 -0.803 8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.125 -0.104 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.434 -0.457 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.591 1.082 9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.234 2.147 5.459 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.751 3.456 10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.399 4.523 6.059 1.00 0.00 H new ATOM 0 HH TYR A 68 3.617 5.699 8.627 1.00 0.00 H new ATOM 1002 N ILE A 69 3.494 -3.198 7.998 1.00 0.00 N ATOM 1003 CA ILE A 69 3.341 -4.621 7.726 1.00 0.00 C ATOM 1004 C ILE A 69 1.877 -4.983 7.502 1.00 0.00 C ATOM 1005 O ILE A 69 1.012 -4.642 8.309 1.00 0.00 O ATOM 1006 CB ILE A 69 3.900 -5.478 8.877 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.418 -5.313 8.974 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.532 -6.941 8.676 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.032 -6.048 10.145 1.00 0.00 C ATOM 0 H ILE A 69 3.709 -2.975 8.970 1.00 0.00 H new ATOM 0 HA ILE A 69 3.908 -4.832 6.819 1.00 0.00 H new ATOM 0 HB ILE A 69 3.456 -5.138 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.874 -5.671 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.656 -4.252 9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.934 -7.534 9.498 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.447 -7.043 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.951 -7.295 7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.110 -5.886 10.151 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.604 -5.674 11.075 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.825 -7.114 10.054 1.00 0.00 H new ATOM 1021 N ILE A 70 1.606 -5.678 6.402 1.00 0.00 N ATOM 1022 CA ILE A 70 0.247 -6.089 6.074 1.00 0.00 C ATOM 1023 C ILE A 70 0.052 -7.583 6.310 1.00 0.00 C ATOM 1024 O ILE A 70 0.543 -8.412 5.544 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.102 -5.762 4.610 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.246 -4.251 4.422 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.381 -6.477 4.198 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.051 -3.561 4.061 1.00 0.00 C ATOM 0 H ILE A 70 2.310 -5.968 5.723 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.419 -5.530 6.731 1.00 0.00 H new ATOM 0 HB ILE A 70 0.709 -6.113 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.980 -4.059 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.637 -3.814 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.615 -6.236 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.244 -7.554 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.201 -6.154 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.874 -2.492 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.782 -3.723 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.433 -3.971 3.126 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.669 -7.919 7.374 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.930 -9.314 7.711 1.00 0.00 C ATOM 1042 C ASN A 71 -1.899 -9.942 6.714 1.00 0.00 C ATOM 1043 O ASN A 71 -2.857 -9.304 6.278 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.498 -9.421 9.128 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.499 -8.992 10.185 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.829 -8.227 11.092 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.729 -9.483 10.072 1.00 0.00 N ATOM 0 H ASN A 71 -1.083 -7.245 8.018 1.00 0.00 H new ATOM 0 HA ASN A 71 0.015 -9.856 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.393 -8.803 9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.804 -10.450 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.444 -9.229 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.957 -10.114 9.304 1.00 0.00 H new ATOM 1054 N SER A 72 -1.642 -11.197 6.358 1.00 0.00 N ATOM 1055 CA SER A 72 -2.489 -11.911 5.409 1.00 0.00 C ATOM 1056 C SER A 72 -3.439 -12.858 6.136 1.00 0.00 C ATOM 1057 O SER A 72 -3.051 -13.952 6.547 1.00 0.00 O ATOM 1058 CB SER A 72 -1.630 -12.695 4.416 1.00 0.00 C ATOM 1059 OG SER A 72 -2.437 -13.366 3.463 1.00 0.00 O ATOM 0 H SER A 72 -0.855 -11.740 6.712 1.00 0.00 H new ATOM 0 HA SER A 72 -3.082 -11.176 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.947 -12.016 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.017 -13.419 4.953 1.00 0.00 H new ATOM 0 HG SER A 72 -1.865 -13.859 2.839 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.687 -12.429 6.291 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.695 -13.238 6.968 1.00 0.00 C ATOM 1067 C LEU A 73 -6.146 -14.397 6.086 1.00 0.00 C ATOM 1068 O LEU A 73 -6.226 -14.284 4.862 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.899 -12.374 7.350 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.580 -11.041 8.027 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.832 -10.185 8.136 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -5.970 -11.273 9.402 1.00 0.00 C ATOM 0 H LEU A 73 -5.025 -11.526 5.957 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.248 -13.648 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.476 -12.172 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.540 -12.953 8.016 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.853 -10.509 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.586 -9.240 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.227 -9.990 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.582 -10.711 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.749 -10.313 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.674 -11.826 10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.049 -11.847 9.299 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.451 -15.540 6.719 1.00 0.00 N ATOM 1085 CA PRO A 74 -6.902 -16.741 6.011 1.00 0.00 C ATOM 1086 C PRO A 74 -8.300 -16.578 5.425 1.00 0.00 C ATOM 1087 O PRO A 74 -8.797 -17.460 4.727 1.00 0.00 O ATOM 1088 CB PRO A 74 -6.900 -17.816 7.101 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.073 -17.065 8.375 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.379 -15.746 8.175 1.00 0.00 C ATOM 0 HA PRO A 74 -6.264 -16.977 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.707 -18.533 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.968 -18.381 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.129 -16.920 8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.639 -17.611 9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.877 -14.943 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.348 -15.777 8.526 1.00 0.00 H new ATOM 1098 N ASN A 75 -8.930 -15.444 5.715 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.272 -15.166 5.217 1.00 0.00 C ATOM 1100 C ASN A 75 -10.215 -14.406 3.895 1.00 0.00 C ATOM 1101 O ASN A 75 -11.101 -13.609 3.587 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.064 -14.360 6.247 1.00 0.00 C ATOM 1103 CG ASN A 75 -12.464 -14.027 5.769 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -13.062 -14.774 4.994 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -12.995 -12.900 6.230 1.00 0.00 N ATOM 0 H ASN A 75 -8.533 -14.703 6.292 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.774 -16.119 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.126 -14.925 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.530 -13.436 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.934 -12.624 5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.464 -12.311 6.871 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.166 -14.659 3.118 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.993 -13.998 1.830 1.00 0.00 C ATOM 1114 C ARG A 76 -8.983 -12.481 1.994 1.00 0.00 C ATOM 1115 O ARG A 76 -9.431 -11.749 1.112 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.108 -14.410 0.867 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.798 -15.674 0.081 1.00 0.00 C ATOM 1118 CD ARG A 76 -9.071 -15.359 -1.216 1.00 0.00 C ATOM 1119 NE ARG A 76 -9.857 -14.488 -2.087 1.00 0.00 N ATOM 1120 CZ ARG A 76 -9.338 -13.795 -3.094 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -8.041 -13.871 -3.358 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -10.118 -13.025 -3.842 1.00 0.00 N ATOM 0 H ARG A 76 -8.424 -15.316 3.358 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.033 -14.308 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.028 -14.560 1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.293 -13.594 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.187 -16.341 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.725 -16.203 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.118 -14.881 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.846 -16.288 -1.740 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.859 -14.408 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.438 -14.463 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.646 -13.337 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.117 -12.965 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.719 -12.493 -4.615 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.469 -12.017 3.128 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.402 -10.588 3.408 1.00 0.00 C ATOM 1138 C ARG A 77 -7.119 -10.241 4.159 1.00 0.00 C ATOM 1139 O ARG A 77 -6.495 -11.104 4.776 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.618 -10.149 4.225 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.803 -9.725 3.373 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.718 -10.899 3.067 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.055 -10.463 2.672 1.00 0.00 N ATOM 1144 CZ ARG A 77 -13.943 -9.956 3.520 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.637 -9.822 4.803 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.139 -9.582 3.085 1.00 0.00 N ATOM 0 H ARG A 77 -8.093 -12.610 3.868 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.401 -10.056 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.924 -10.969 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.331 -9.320 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.366 -8.949 3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.444 -9.289 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.282 -11.500 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.791 -11.540 3.945 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.321 -10.553 1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.718 -10.108 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.320 -9.432 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.378 -9.684 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.820 -9.193 3.737 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.732 -8.971 4.102 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.523 -8.509 4.774 1.00 0.00 C ATOM 1162 C PHE A 78 -5.870 -7.715 6.030 1.00 0.00 C ATOM 1163 O PHE A 78 -7.001 -7.259 6.199 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.684 -7.648 3.828 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.198 -8.390 2.616 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -2.988 -9.065 2.640 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.950 -8.413 1.453 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.537 -9.747 1.525 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.505 -9.094 0.335 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.297 -9.763 0.372 1.00 0.00 C ATOM 0 H PHE A 78 -7.238 -8.243 3.597 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.943 -9.384 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.277 -6.792 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.825 -7.255 4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.391 -9.058 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.896 -7.893 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.591 -10.267 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.101 -9.103 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.948 -10.297 -0.499 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.887 -7.553 6.910 1.00 0.00 N ATOM 1181 CA LYS A 79 -5.085 -6.814 8.151 1.00 0.00 C ATOM 1182 C LYS A 79 -3.914 -5.875 8.418 1.00 0.00 C ATOM 1183 O LYS A 79 -2.834 -6.312 8.816 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.254 -7.782 9.325 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.457 -7.089 10.661 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.190 -8.030 11.824 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.317 -7.315 13.160 1.00 0.00 C ATOM 1188 NZ LYS A 79 -5.319 -8.270 14.302 1.00 0.00 N ATOM 0 H LYS A 79 -3.945 -7.924 6.786 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.991 -6.217 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.107 -8.432 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.374 -8.422 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.793 -6.227 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.477 -6.711 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.892 -8.863 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.189 -8.452 11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.492 -6.612 13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.237 -6.731 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.407 -7.744 15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.121 -8.925 14.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.430 -8.810 14.305 1.00 0.00 H new ATOM 1202 N ILE A 80 -4.135 -4.583 8.198 1.00 0.00 N ATOM 1203 CA ILE A 80 -3.098 -3.583 8.417 1.00 0.00 C ATOM 1204 C ILE A 80 -3.241 -2.934 9.789 1.00 0.00 C ATOM 1205 O ILE A 80 -4.026 -2.004 9.969 1.00 0.00 O ATOM 1206 CB ILE A 80 -3.136 -2.486 7.336 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -2.091 -1.409 7.634 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.526 -1.873 7.253 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.597 -0.688 6.399 1.00 0.00 C ATOM 0 H ILE A 80 -5.023 -4.205 7.868 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.142 -4.103 8.362 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.900 -2.938 6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.518 -0.681 8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.242 -1.868 8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.537 -1.100 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.250 -2.647 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.788 -1.433 8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.859 0.061 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.140 -1.405 5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.436 -0.200 5.903 1.00 0.00 H new ATOM 1221 N GLY A 81 -2.475 -3.431 10.756 1.00 0.00 N ATOM 1222 CA GLY A 81 -2.530 -2.886 12.100 1.00 0.00 C ATOM 1223 C GLY A 81 -3.726 -3.393 12.882 1.00 0.00 C ATOM 1224 O GLY A 81 -3.768 -4.557 13.280 1.00 0.00 O ATOM 0 H GLY A 81 -1.818 -4.201 10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.615 -3.146 12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.569 -1.798 12.046 1.00 0.00 H new ATOM 1228 N ASP A 82 -4.699 -2.517 13.105 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.901 -2.881 13.845 1.00 0.00 C ATOM 1230 C ASP A 82 -7.144 -2.724 12.975 1.00 0.00 C ATOM 1231 O ASP A 82 -8.238 -2.471 13.479 1.00 0.00 O ATOM 1232 CB ASP A 82 -6.032 -2.021 15.103 1.00 0.00 C ATOM 1233 CG ASP A 82 -6.829 -2.708 16.194 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -6.328 -3.704 16.758 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -7.953 -2.249 16.486 1.00 0.00 O ATOM 0 H ASP A 82 -4.679 -1.549 12.784 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.814 -3.927 14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.038 -1.780 15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.513 -1.077 14.846 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.967 -2.873 11.666 1.00 0.00 N ATOM 1241 CA GLN A 83 -8.074 -2.746 10.726 1.00 0.00 C ATOM 1242 C GLN A 83 -8.013 -3.836 9.662 1.00 0.00 C ATOM 1243 O GLN A 83 -6.989 -4.498 9.497 1.00 0.00 O ATOM 1244 CB GLN A 83 -8.052 -1.367 10.063 1.00 0.00 C ATOM 1245 CG GLN A 83 -8.373 -0.228 11.017 1.00 0.00 C ATOM 1246 CD GLN A 83 -9.829 -0.216 11.442 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -10.614 -1.072 11.033 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -10.196 0.758 12.267 1.00 0.00 N ATOM 0 H GLN A 83 -6.068 -3.082 11.233 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.005 -2.859 11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.067 -1.198 9.627 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.770 -1.356 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.741 -0.310 11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.130 0.721 10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.511 1.446 12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.163 0.818 12.587 1.00 0.00 H new ATOM 1257 N GLU A 84 -9.117 -4.017 8.943 1.00 0.00 N ATOM 1258 CA GLU A 84 -9.187 -5.029 7.895 1.00 0.00 C ATOM 1259 C GLU A 84 -9.837 -4.463 6.635 1.00 0.00 C ATOM 1260 O GLU A 84 -10.633 -3.525 6.701 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.973 -6.247 8.384 1.00 0.00 C ATOM 1262 CG GLU A 84 -9.361 -6.918 9.602 1.00 0.00 C ATOM 1263 CD GLU A 84 -10.356 -7.775 10.358 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -11.573 -7.531 10.224 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.918 -8.691 11.085 1.00 0.00 O ATOM 0 H GLU A 84 -9.973 -3.477 9.067 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.170 -5.335 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.991 -5.940 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.040 -6.974 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.520 -7.536 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.963 -6.155 10.271 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.491 -5.038 5.489 1.00 0.00 N ATOM 1273 CA PHE A 85 -10.038 -4.591 4.213 1.00 0.00 C ATOM 1274 C PHE A 85 -10.349 -5.780 3.308 1.00 0.00 C ATOM 1275 O PHE A 85 -9.970 -6.914 3.602 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.057 -3.648 3.515 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.830 -2.362 4.258 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.678 -1.282 4.075 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.768 -2.234 5.139 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.471 -0.098 4.757 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.557 -1.052 5.824 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.410 0.017 5.633 1.00 0.00 C ATOM 0 H PHE A 85 -8.834 -5.815 5.417 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.966 -4.055 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.102 -4.159 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.432 -3.421 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.510 -1.366 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.098 -3.067 5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.139 0.737 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.726 -0.965 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.248 0.941 6.168 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.043 -5.512 2.207 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.405 -6.558 1.258 1.00 0.00 C ATOM 1294 C ASP A 86 -10.166 -7.116 0.565 1.00 0.00 C ATOM 1295 O ASP A 86 -10.122 -8.292 0.201 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.386 -6.015 0.218 1.00 0.00 C ATOM 1297 CG ASP A 86 -12.954 -7.106 -0.668 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.402 -8.227 -0.657 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.950 -6.841 -1.371 1.00 0.00 O ATOM 0 H ASP A 86 -11.366 -4.579 1.950 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.884 -7.366 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.203 -5.502 0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.881 -5.274 -0.402 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.161 -6.265 0.385 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.921 -6.673 -0.266 1.00 0.00 C ATOM 1306 C HIS A 87 -6.916 -5.525 -0.287 1.00 0.00 C ATOM 1307 O HIS A 87 -7.160 -4.461 0.282 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.200 -7.148 -1.692 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.329 -6.421 -2.355 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.215 -5.134 -2.837 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.599 -6.809 -2.618 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.367 -4.761 -3.365 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.223 -5.759 -3.246 1.00 0.00 N ATOM 0 H HIS A 87 -9.181 -5.289 0.681 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.494 -7.497 0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.298 -7.024 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.426 -8.214 -1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.039 -7.766 -2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.574 -3.802 -3.817 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.191 -5.751 -3.568 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.785 -5.748 -0.947 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.741 -4.733 -1.043 1.00 0.00 C ATOM 1324 C LEU A 88 -5.289 -3.445 -1.649 1.00 0.00 C ATOM 1325 O LEU A 88 -5.245 -2.376 -1.041 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.574 -5.251 -1.885 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.419 -5.887 -1.111 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.279 -6.246 -2.052 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.932 -4.951 -0.014 1.00 0.00 C ATOM 0 H LEU A 88 -5.567 -6.623 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.385 -4.516 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.960 -5.986 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.179 -4.422 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.781 -6.804 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.466 -6.697 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.635 -6.954 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.918 -5.344 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.110 -5.420 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.588 -4.017 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.749 -4.744 0.677 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.819 -3.548 -2.877 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.388 -2.402 -3.592 1.00 0.00 C ATOM 1343 C PRO A 89 -7.690 -1.915 -2.964 1.00 0.00 C ATOM 1344 O PRO A 89 -8.495 -1.253 -3.617 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.646 -2.952 -4.997 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.809 -4.420 -4.804 1.00 0.00 C ATOM 1347 CD PRO A 89 -5.905 -4.791 -3.662 1.00 0.00 C ATOM 0 HA PRO A 89 -5.722 -1.539 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.539 -2.509 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.816 -2.730 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.845 -4.671 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.539 -4.965 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.317 -5.610 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.925 -5.113 -4.014 1.00 0.00 H new ATOM 1355 N ALA A 90 -7.888 -2.247 -1.692 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.091 -1.841 -0.976 1.00 0.00 C ATOM 1357 C ALA A 90 -8.748 -0.940 0.206 1.00 0.00 C ATOM 1358 O ALA A 90 -9.454 0.030 0.485 1.00 0.00 O ATOM 1359 CB ALA A 90 -9.862 -3.064 -0.503 1.00 0.00 C ATOM 0 H ALA A 90 -7.231 -2.796 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.719 -1.273 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.758 -2.746 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.148 -3.669 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.234 -3.655 0.164 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.661 -1.266 0.897 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.225 -0.486 2.050 1.00 0.00 C ATOM 1367 C LEU A 91 -6.622 0.845 1.610 1.00 0.00 C ATOM 1368 O LEU A 91 -6.883 1.886 2.214 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.202 -1.277 2.867 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.840 -1.497 2.207 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.894 -0.354 2.540 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.245 -2.828 2.643 1.00 0.00 C ATOM 0 H LEU A 91 -7.066 -2.065 0.679 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.097 -0.281 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.045 -0.760 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.630 -2.251 3.103 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.981 -1.521 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.930 -0.528 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.315 0.584 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.758 -0.297 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.276 -2.968 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.118 -2.833 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.914 -3.638 2.352 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.817 0.804 0.554 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.179 2.007 0.032 1.00 0.00 C ATOM 1386 C LEU A 92 -6.222 3.034 -0.399 1.00 0.00 C ATOM 1387 O LEU A 92 -6.046 4.234 -0.194 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.275 1.656 -1.151 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.263 0.535 -0.912 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.794 -0.052 -2.234 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.079 1.047 -0.105 1.00 0.00 C ATOM 0 H LEU A 92 -5.591 -0.049 0.043 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.574 2.442 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.906 1.375 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.731 2.553 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.753 -0.253 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.074 -0.848 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.649 -0.457 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.322 0.728 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.369 0.235 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.590 1.855 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.429 1.419 0.858 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.309 2.552 -0.994 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.381 3.428 -1.451 1.00 0.00 C ATOM 1405 C GLU A 93 -9.052 4.127 -0.273 1.00 0.00 C ATOM 1406 O GLU A 93 -9.581 5.230 -0.410 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.418 2.631 -2.244 1.00 0.00 C ATOM 1408 CG GLU A 93 -8.820 1.501 -3.065 1.00 0.00 C ATOM 1409 CD GLU A 93 -9.649 1.167 -4.290 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -9.507 1.869 -5.313 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -10.441 0.203 -4.225 1.00 0.00 O ATOM 0 H GLU A 93 -7.470 1.560 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.944 4.187 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.152 2.217 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.953 3.308 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.813 1.777 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.728 0.613 -2.440 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.027 3.476 0.886 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.635 4.034 2.089 1.00 0.00 C ATOM 1420 C PHE A 94 -8.655 4.946 2.820 1.00 0.00 C ATOM 1421 O PHE A 94 -9.047 5.734 3.681 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.096 2.910 3.020 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.094 3.357 4.050 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.379 3.716 3.677 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.747 3.417 5.390 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.299 4.128 4.623 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.663 3.828 6.340 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.941 4.183 5.956 1.00 0.00 C ATOM 0 H PHE A 94 -8.593 2.562 1.017 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.500 4.626 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.535 2.111 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.227 2.489 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.665 3.674 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.749 3.139 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.297 4.407 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.380 3.871 7.381 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.659 4.503 6.696 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.378 4.833 2.472 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.341 5.645 3.096 1.00 0.00 C ATOM 1440 C TYR A 95 -6.111 6.934 2.313 1.00 0.00 C ATOM 1441 O TYR A 95 -5.648 7.934 2.861 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.034 4.855 3.194 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.925 4.017 4.447 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.170 4.569 5.699 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.578 2.674 4.381 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.071 3.808 6.847 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.478 1.904 5.524 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.725 2.476 6.755 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.625 1.713 7.896 1.00 0.00 O ATOM 0 H TYR A 95 -7.036 4.187 1.761 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.676 5.906 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.946 4.205 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.195 5.550 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.443 5.611 5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.383 2.223 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.263 4.253 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.208 0.861 5.454 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.374 0.797 7.656 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.439 6.902 1.025 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.272 8.066 0.164 1.00 0.00 C ATOM 1461 C LYS A 96 -6.873 9.311 0.809 1.00 0.00 C ATOM 1462 O LYS A 96 -6.532 10.436 0.443 1.00 0.00 O ATOM 1463 CB LYS A 96 -6.927 7.817 -1.197 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.150 6.857 -2.080 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.054 6.170 -3.089 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.136 6.956 -4.389 1.00 0.00 C ATOM 1467 NZ LYS A 96 -5.992 6.654 -5.293 1.00 0.00 N ATOM 0 H LYS A 96 -6.822 6.082 0.555 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.204 8.232 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.931 7.422 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.036 8.768 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.364 7.400 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.660 6.107 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.679 5.167 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.053 6.057 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.072 6.722 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.152 8.023 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.297 7.426 -5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.543 5.764 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.337 6.561 -6.270 1.00 0.00 H new ATOM 1481 N ILE A 97 -7.766 9.102 1.770 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.410 10.208 2.467 1.00 0.00 C ATOM 1483 C ILE A 97 -8.017 10.233 3.940 1.00 0.00 C ATOM 1484 O ILE A 97 -7.940 11.297 4.555 1.00 0.00 O ATOM 1485 CB ILE A 97 -9.944 10.124 2.358 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.456 8.848 3.031 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.375 10.169 0.900 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -11.964 8.787 3.142 1.00 0.00 C ATOM 0 H ILE A 97 -8.060 8.177 2.084 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.069 11.125 1.987 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.377 10.982 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.106 7.984 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.023 8.774 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.462 10.109 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.038 11.103 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.935 9.328 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.256 7.856 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.320 9.632 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.404 8.829 2.146 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.768 9.054 4.501 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.380 8.941 5.902 1.00 0.00 C ATOM 1502 C HIS A 98 -5.867 9.062 6.058 1.00 0.00 C ATOM 1503 O HIS A 98 -5.106 8.594 5.211 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.858 7.608 6.480 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.330 7.571 6.759 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.252 8.560 6.779 1.00 0.00 N flip ATOM 1507 CD2 HIS A 98 -10.008 6.410 7.064 1.00 0.00 C flip ATOM 1508 CE1 HIS A 98 -11.460 7.985 7.091 1.00 0.00 C flip ATOM 1509 NE2 HIS A 98 -11.285 6.687 7.258 1.00 0.00 N flip ATOM 0 H HIS A 98 -7.828 8.164 4.007 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.851 9.757 6.451 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.608 6.808 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.316 7.406 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.565 5.428 7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.400 8.509 7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.012 6.013 7.496 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.438 9.693 7.146 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.016 9.878 7.411 1.00 0.00 C ATOM 1520 C TYR A 99 -3.479 8.765 8.306 1.00 0.00 C ATOM 1521 O TYR A 99 -3.855 8.655 9.473 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.772 11.238 8.068 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.253 12.407 7.238 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.606 12.592 6.981 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.355 13.325 6.709 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.051 13.657 6.223 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.790 14.395 5.950 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.139 14.556 5.710 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.577 15.619 4.954 1.00 0.00 O ATOM 0 H TYR A 99 -6.054 10.085 7.858 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.487 9.841 6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.273 11.260 9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.705 11.354 8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.323 11.890 7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.298 13.201 6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.106 13.785 6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.078 15.101 5.547 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.809 16.157 4.670 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.597 7.943 7.749 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.005 6.837 8.495 1.00 0.00 C ATOM 1541 C LEU A 100 -1.415 7.325 9.814 1.00 0.00 C ATOM 1542 O LEU A 100 -1.941 7.030 10.888 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.921 6.154 7.660 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.357 5.638 6.288 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.183 5.633 5.322 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.957 4.244 6.409 1.00 0.00 C ATOM 0 H LEU A 100 -2.276 8.021 6.784 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.793 6.116 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.102 6.859 7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.524 5.315 8.232 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.121 6.308 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.512 5.263 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.202 6.647 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.604 4.986 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.262 3.892 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.214 3.563 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.825 4.278 7.067 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.321 8.073 9.726 1.00 0.00 N ATOM 1559 CA ASP A 101 0.339 8.605 10.913 1.00 0.00 C ATOM 1560 C ASP A 101 0.277 10.129 10.932 1.00 0.00 C ATOM 1561 O ASP A 101 -0.373 10.724 11.793 1.00 0.00 O ATOM 1562 CB ASP A 101 1.796 8.141 10.963 1.00 0.00 C ATOM 1563 CG ASP A 101 1.958 6.820 11.688 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.047 5.972 11.587 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.996 6.634 12.358 1.00 0.00 O ATOM 0 H ASP A 101 0.128 8.325 8.845 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.185 8.227 11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.178 8.044 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.399 8.901 11.459 1.00 0.00 H new ATOM 1570 N THR A 102 0.958 10.757 9.979 1.00 0.00 N ATOM 1571 CA THR A 102 0.983 12.211 9.887 1.00 0.00 C ATOM 1572 C THR A 102 0.600 12.681 8.488 1.00 0.00 C ATOM 1573 O THR A 102 0.360 13.867 8.264 1.00 0.00 O ATOM 1574 CB THR A 102 2.372 12.773 10.244 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.353 14.204 10.179 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.433 12.232 9.298 1.00 0.00 C ATOM 0 H THR A 102 1.500 10.280 9.259 1.00 0.00 H new ATOM 0 HA THR A 102 0.253 12.585 10.605 1.00 0.00 H new ATOM 0 HB THR A 102 2.617 12.459 11.259 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.744 14.491 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.406 12.642 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.465 11.145 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.190 12.520 8.275 1.00 0.00 H new ATOM 1584 N THR A 103 0.545 11.742 7.548 1.00 0.00 N ATOM 1585 CA THR A 103 0.192 12.060 6.171 1.00 0.00 C ATOM 1586 C THR A 103 -0.700 10.981 5.569 1.00 0.00 C ATOM 1587 O THR A 103 -1.056 10.010 6.237 1.00 0.00 O ATOM 1588 CB THR A 103 1.447 12.221 5.292 1.00 0.00 C ATOM 1589 OG1 THR A 103 1.166 13.092 4.191 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.920 10.872 4.771 1.00 0.00 C ATOM 0 H THR A 103 0.741 10.755 7.716 1.00 0.00 H new ATOM 0 HA THR A 103 -0.350 13.005 6.194 1.00 0.00 H new ATOM 0 HB THR A 103 2.239 12.654 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.969 13.190 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.807 11.011 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.162 10.222 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.130 10.415 4.174 1.00 0.00 H new ATOM 1598 N THR A 104 -1.060 11.156 4.301 1.00 0.00 N ATOM 1599 CA THR A 104 -1.912 10.198 3.608 1.00 0.00 C ATOM 1600 C THR A 104 -1.239 9.678 2.343 1.00 0.00 C ATOM 1601 O THR A 104 -0.150 10.123 1.979 1.00 0.00 O ATOM 1602 CB THR A 104 -3.270 10.820 3.235 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.083 11.864 2.272 1.00 0.00 O ATOM 1604 CG2 THR A 104 -3.966 11.379 4.467 1.00 0.00 C ATOM 0 H THR A 104 -0.774 11.953 3.733 1.00 0.00 H new ATOM 0 HA THR A 104 -2.078 9.368 4.295 1.00 0.00 H new ATOM 0 HB THR A 104 -3.897 10.038 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.952 12.253 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 104 -4.923 11.813 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.133 10.577 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.341 12.148 4.921 1.00 0.00 H new ATOM 1612 N LEU A 105 -1.894 8.734 1.675 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.359 8.154 0.449 1.00 0.00 C ATOM 1614 C LEU A 105 -1.692 9.027 -0.757 1.00 0.00 C ATOM 1615 O LEU A 105 -2.851 9.130 -1.160 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.917 6.745 0.242 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.649 5.745 1.367 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.266 4.394 1.039 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.154 5.605 1.611 1.00 0.00 C ATOM 0 H LEU A 105 -2.796 8.355 1.962 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.275 8.098 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.995 6.820 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.500 6.343 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.112 6.121 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.065 3.695 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.343 4.506 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.833 4.011 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.018 4.889 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.332 5.252 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.261 6.573 1.892 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.668 9.652 -1.329 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.852 10.513 -2.491 1.00 0.00 C ATOM 1633 C ILE A 106 -0.786 9.710 -3.786 1.00 0.00 C ATOM 1634 O ILE A 106 -1.800 9.509 -4.454 1.00 0.00 O ATOM 1635 CB ILE A 106 0.209 11.629 -2.537 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.197 12.428 -1.233 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.038 12.544 -3.728 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.073 13.223 -1.023 1.00 0.00 C ATOM 0 H ILE A 106 0.297 9.578 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.839 10.965 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 106 1.192 11.172 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.330 11.743 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.048 13.109 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.719 13.328 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.016 11.964 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.026 12.996 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.011 13.764 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.197 13.933 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.926 12.545 -0.998 1.00 0.00 H new ATOM 1650 N GLU A 107 0.413 9.254 -4.133 1.00 0.00 N ATOM 1651 CA GLU A 107 0.610 8.472 -5.348 1.00 0.00 C ATOM 1652 C GLU A 107 1.723 7.445 -5.160 1.00 0.00 C ATOM 1653 O GLU A 107 2.740 7.706 -4.517 1.00 0.00 O ATOM 1654 CB GLU A 107 0.943 9.392 -6.524 1.00 0.00 C ATOM 1655 CG GLU A 107 2.313 10.040 -6.422 1.00 0.00 C ATOM 1656 CD GLU A 107 2.678 10.832 -7.662 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.298 10.407 -8.772 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.345 11.879 -7.521 1.00 0.00 O ATOM 0 H GLU A 107 1.262 9.412 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.318 7.941 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.890 8.818 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.185 10.173 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.335 10.700 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.064 9.268 -6.254 1.00 0.00 H new ATOM 1665 N PRO A 108 1.527 6.249 -5.734 1.00 0.00 N ATOM 1666 CA PRO A 108 2.502 5.158 -5.644 1.00 0.00 C ATOM 1667 C PRO A 108 3.767 5.445 -6.445 1.00 0.00 C ATOM 1668 O PRO A 108 3.700 5.814 -7.617 1.00 0.00 O ATOM 1669 CB PRO A 108 1.753 3.962 -6.236 1.00 0.00 C ATOM 1670 CG PRO A 108 0.738 4.564 -7.146 1.00 0.00 C ATOM 1671 CD PRO A 108 0.337 5.869 -6.515 1.00 0.00 C ATOM 0 HA PRO A 108 2.843 4.999 -4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.429 3.301 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.281 3.365 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.152 4.723 -8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.123 3.905 -7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.092 6.620 -7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.541 5.755 -5.880 1.00 0.00 H new ATOM 1679 N ALA A 109 4.919 5.271 -5.806 1.00 0.00 N ATOM 1680 CA ALA A 109 6.200 5.508 -6.461 1.00 0.00 C ATOM 1681 C ALA A 109 6.259 4.814 -7.817 1.00 0.00 C ATOM 1682 O ALA A 109 5.647 3.768 -8.034 1.00 0.00 O ATOM 1683 CB ALA A 109 7.342 5.037 -5.573 1.00 0.00 C ATOM 0 H ALA A 109 4.992 4.967 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 109 6.303 6.580 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.292 5.220 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.318 5.583 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.235 3.970 -5.377 1.00 0.00 H new ATOM 1689 N PRO A 110 7.014 5.407 -8.754 1.00 0.00 N ATOM 1690 CA PRO A 110 7.172 4.863 -10.106 1.00 0.00 C ATOM 1691 C PRO A 110 7.991 3.576 -10.121 1.00 0.00 C ATOM 1692 O PRO A 110 8.915 3.409 -9.325 1.00 0.00 O ATOM 1693 CB PRO A 110 7.911 5.976 -10.853 1.00 0.00 C ATOM 1694 CG PRO A 110 8.640 6.725 -9.791 1.00 0.00 C ATOM 1695 CD PRO A 110 7.773 6.655 -8.565 1.00 0.00 C ATOM 0 HA PRO A 110 6.214 4.595 -10.552 1.00 0.00 H new ATOM 0 HB2 PRO A 110 8.599 5.567 -11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.216 6.623 -11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.618 6.282 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.810 7.759 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.369 6.629 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.113 7.519 -8.490 1.00 0.00 H new ATOM 1703 N ARG A 111 7.646 2.671 -11.031 1.00 0.00 N ATOM 1704 CA ARG A 111 8.349 1.399 -11.148 1.00 0.00 C ATOM 1705 C ARG A 111 8.854 1.187 -12.572 1.00 0.00 C ATOM 1706 O ARG A 111 9.741 0.367 -12.811 1.00 0.00 O ATOM 1707 CB ARG A 111 7.430 0.245 -10.744 1.00 0.00 C ATOM 1708 CG ARG A 111 6.034 0.342 -11.337 1.00 0.00 C ATOM 1709 CD ARG A 111 5.972 -0.287 -12.721 1.00 0.00 C ATOM 1710 NE ARG A 111 5.737 -1.727 -12.657 1.00 0.00 N ATOM 1711 CZ ARG A 111 5.910 -2.546 -13.689 1.00 0.00 C ATOM 1712 NH1 ARG A 111 6.317 -2.069 -14.857 1.00 0.00 N ATOM 1713 NH2 ARG A 111 5.676 -3.845 -13.553 1.00 0.00 N ATOM 0 H ARG A 111 6.884 2.795 -11.698 1.00 0.00 H new ATOM 0 HA ARG A 111 9.207 1.423 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.884 -0.696 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.353 0.217 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.322 -0.155 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.735 1.388 -11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.177 0.185 -13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.906 -0.095 -13.249 1.00 0.00 H new ATOM 0 HE ARG A 111 5.423 -2.126 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.498 -1.071 -14.965 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.449 -2.700 -15.648 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.363 -4.216 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.809 -4.473 -14.346 1.00 0.00 H new TER 1727 ARG A 111