USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 THR OG1 : rot -170:sc= -0.874 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00352 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.65! K(o=-1.6!,f=-2.4) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -31:sc= 0.533 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 31 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.95) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.38) USER MOD Single : A 42 CYS SG : rot -12:sc= 0.0129 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.0042) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 75:sc= -1.88! USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.0288 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.074 -1.909 19.680 1.00 0.00 N ATOM 2 CA GLY A 1 22.689 -0.935 20.561 1.00 0.00 C ATOM 3 C GLY A 1 21.669 -0.053 21.254 1.00 0.00 C ATOM 4 O GLY A 1 21.366 -0.249 22.430 1.00 0.00 O ATOM 0 H1 GLY A 1 22.813 -2.487 19.231 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.441 -2.524 20.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.526 -1.416 18.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.285 -1.454 21.311 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.373 -0.311 19.986 1.00 0.00 H new ATOM 8 N SER A 2 21.140 0.923 20.523 1.00 0.00 N ATOM 9 CA SER A 2 20.152 1.842 21.075 1.00 0.00 C ATOM 10 C SER A 2 18.884 1.097 21.481 1.00 0.00 C ATOM 11 O SER A 2 18.741 -0.097 21.217 1.00 0.00 O ATOM 12 CB SER A 2 19.812 2.932 20.057 1.00 0.00 C ATOM 13 OG SER A 2 19.350 4.106 20.702 1.00 0.00 O ATOM 0 H SER A 2 21.379 1.098 19.547 1.00 0.00 H new ATOM 0 HA SER A 2 20.581 2.306 21.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.694 3.164 19.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.049 2.567 19.370 1.00 0.00 H new ATOM 0 HG SER A 2 19.141 4.788 20.030 1.00 0.00 H new ATOM 19 N SER A 3 17.966 1.811 22.125 1.00 0.00 N ATOM 20 CA SER A 3 16.711 1.218 22.572 1.00 0.00 C ATOM 21 C SER A 3 15.530 1.800 21.800 1.00 0.00 C ATOM 22 O SER A 3 14.661 1.068 21.328 1.00 0.00 O ATOM 23 CB SER A 3 16.519 1.448 24.072 1.00 0.00 C ATOM 24 OG SER A 3 17.269 0.516 24.831 1.00 0.00 O ATOM 0 H SER A 3 18.068 2.801 22.349 1.00 0.00 H new ATOM 0 HA SER A 3 16.755 0.146 22.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.825 2.462 24.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.462 1.360 24.324 1.00 0.00 H new ATOM 0 HG SER A 3 17.131 0.685 25.786 1.00 0.00 H new ATOM 30 N GLY A 4 15.506 3.124 21.678 1.00 0.00 N ATOM 31 CA GLY A 4 14.429 3.783 20.964 1.00 0.00 C ATOM 32 C GLY A 4 13.971 5.054 21.651 1.00 0.00 C ATOM 33 O GLY A 4 13.720 5.061 22.856 1.00 0.00 O ATOM 0 H GLY A 4 16.213 3.751 22.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.759 4.019 19.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.585 3.099 20.873 1.00 0.00 H new ATOM 37 N SER A 5 13.863 6.134 20.883 1.00 0.00 N ATOM 38 CA SER A 5 13.437 7.419 21.426 1.00 0.00 C ATOM 39 C SER A 5 12.973 8.352 20.313 1.00 0.00 C ATOM 40 O SER A 5 13.443 8.265 19.178 1.00 0.00 O ATOM 41 CB SER A 5 14.579 8.069 22.209 1.00 0.00 C ATOM 42 OG SER A 5 14.259 9.402 22.565 1.00 0.00 O ATOM 0 H SER A 5 14.065 6.145 19.883 1.00 0.00 H new ATOM 0 HA SER A 5 12.599 7.241 22.100 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.784 7.488 23.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.488 8.058 21.608 1.00 0.00 H new ATOM 0 HG SER A 5 15.004 9.795 23.066 1.00 0.00 H new ATOM 48 N SER A 6 12.047 9.245 20.645 1.00 0.00 N ATOM 49 CA SER A 6 11.515 10.194 19.674 1.00 0.00 C ATOM 50 C SER A 6 12.415 11.421 19.563 1.00 0.00 C ATOM 51 O SER A 6 13.382 11.564 20.309 1.00 0.00 O ATOM 52 CB SER A 6 10.099 10.619 20.067 1.00 0.00 C ATOM 53 OG SER A 6 10.103 11.341 21.286 1.00 0.00 O ATOM 0 H SER A 6 11.649 9.331 21.580 1.00 0.00 H new ATOM 0 HA SER A 6 11.482 9.701 18.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.669 11.235 19.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.465 9.738 20.165 1.00 0.00 H new ATOM 0 HG SER A 6 9.187 11.603 21.514 1.00 0.00 H new ATOM 59 N GLY A 7 12.088 12.305 18.626 1.00 0.00 N ATOM 60 CA GLY A 7 12.875 13.509 18.434 1.00 0.00 C ATOM 61 C GLY A 7 12.174 14.526 17.556 1.00 0.00 C ATOM 62 O GLY A 7 11.467 15.403 18.054 1.00 0.00 O ATOM 0 H GLY A 7 11.292 12.209 17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.090 13.958 19.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.833 13.246 17.986 1.00 0.00 H new ATOM 66 N SER A 8 12.371 14.412 16.247 1.00 0.00 N ATOM 67 CA SER A 8 11.757 15.334 15.298 1.00 0.00 C ATOM 68 C SER A 8 10.455 14.759 14.748 1.00 0.00 C ATOM 69 O SER A 8 10.250 13.545 14.752 1.00 0.00 O ATOM 70 CB SER A 8 12.721 15.634 14.149 1.00 0.00 C ATOM 71 OG SER A 8 13.743 16.525 14.561 1.00 0.00 O ATOM 0 H SER A 8 12.951 13.690 15.819 1.00 0.00 H new ATOM 0 HA SER A 8 11.531 16.262 15.824 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.166 14.705 13.791 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.172 16.067 13.313 1.00 0.00 H new ATOM 0 HG SER A 8 14.347 16.700 13.809 1.00 0.00 H new ATOM 77 N GLN A 9 9.580 15.640 14.274 1.00 0.00 N ATOM 78 CA GLN A 9 8.298 15.220 13.721 1.00 0.00 C ATOM 79 C GLN A 9 7.834 16.182 12.632 1.00 0.00 C ATOM 80 O GLN A 9 8.103 17.381 12.693 1.00 0.00 O ATOM 81 CB GLN A 9 7.244 15.137 14.827 1.00 0.00 C ATOM 82 CG GLN A 9 6.952 16.473 15.491 1.00 0.00 C ATOM 83 CD GLN A 9 5.901 17.275 14.750 1.00 0.00 C ATOM 84 OE1 GLN A 9 6.200 18.308 14.150 1.00 0.00 O ATOM 85 NE2 GLN A 9 4.660 16.804 14.787 1.00 0.00 N ATOM 0 H GLN A 9 9.735 16.648 14.262 1.00 0.00 H new ATOM 0 HA GLN A 9 8.428 14.233 13.278 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.320 14.740 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.580 14.430 15.585 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.618 16.301 16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.872 17.054 15.550 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.456 15.944 15.296 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.911 17.302 14.306 1.00 0.00 H new ATOM 94 N GLY A 10 7.135 15.647 11.635 1.00 0.00 N ATOM 95 CA GLY A 10 6.646 16.472 10.546 1.00 0.00 C ATOM 96 C GLY A 10 5.238 16.100 10.124 1.00 0.00 C ATOM 97 O GLY A 10 5.049 15.338 9.175 1.00 0.00 O ATOM 0 H GLY A 10 6.899 14.657 11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.666 17.519 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.316 16.375 9.692 1.00 0.00 H new ATOM 101 N ASP A 11 4.249 16.635 10.830 1.00 0.00 N ATOM 102 CA ASP A 11 2.851 16.354 10.524 1.00 0.00 C ATOM 103 C ASP A 11 2.486 16.868 9.135 1.00 0.00 C ATOM 104 O ASP A 11 1.770 16.202 8.384 1.00 0.00 O ATOM 105 CB ASP A 11 1.939 16.991 11.573 1.00 0.00 C ATOM 106 CG ASP A 11 2.241 16.502 12.976 1.00 0.00 C ATOM 107 OD1 ASP A 11 2.531 15.298 13.135 1.00 0.00 O ATOM 108 OD2 ASP A 11 2.187 17.324 13.914 1.00 0.00 O ATOM 0 H ASP A 11 4.389 17.266 11.619 1.00 0.00 H new ATOM 0 HA ASP A 11 2.711 15.273 10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.050 18.075 11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.900 16.769 11.330 1.00 0.00 H new ATOM 113 N CYS A 12 2.980 18.054 8.799 1.00 0.00 N ATOM 114 CA CYS A 12 2.704 18.658 7.501 1.00 0.00 C ATOM 115 C CYS A 12 3.726 18.207 6.463 1.00 0.00 C ATOM 116 O CYS A 12 4.879 18.636 6.485 1.00 0.00 O ATOM 117 CB CYS A 12 2.712 20.183 7.612 1.00 0.00 C ATOM 118 SG CYS A 12 1.112 20.900 8.054 1.00 0.00 S ATOM 0 H CYS A 12 3.574 18.617 9.408 1.00 0.00 H new ATOM 0 HA CYS A 12 1.716 18.330 7.179 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.449 20.478 8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.036 20.604 6.660 1.00 0.00 H new ATOM 0 HG CYS A 12 1.221 22.193 8.126 1.00 0.00 H new ATOM 124 N SER A 13 3.295 17.337 5.555 1.00 0.00 N ATOM 125 CA SER A 13 4.174 16.822 4.511 1.00 0.00 C ATOM 126 C SER A 13 3.379 16.466 3.258 1.00 0.00 C ATOM 127 O SER A 13 2.248 15.988 3.342 1.00 0.00 O ATOM 128 CB SER A 13 4.933 15.593 5.014 1.00 0.00 C ATOM 129 OG SER A 13 4.038 14.561 5.393 1.00 0.00 O ATOM 0 H SER A 13 2.342 16.974 5.521 1.00 0.00 H new ATOM 0 HA SER A 13 4.890 17.603 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.602 15.230 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.556 15.869 5.865 1.00 0.00 H new ATOM 0 HG SER A 13 4.548 13.786 5.709 1.00 0.00 H new ATOM 135 N TYR A 14 3.980 16.703 2.098 1.00 0.00 N ATOM 136 CA TYR A 14 3.329 16.409 0.826 1.00 0.00 C ATOM 137 C TYR A 14 2.634 15.052 0.870 1.00 0.00 C ATOM 138 O TYR A 14 2.980 14.191 1.680 1.00 0.00 O ATOM 139 CB TYR A 14 4.350 16.436 -0.312 1.00 0.00 C ATOM 140 CG TYR A 14 5.741 16.021 0.113 1.00 0.00 C ATOM 141 CD1 TYR A 14 5.988 14.744 0.599 1.00 0.00 C ATOM 142 CD2 TYR A 14 6.808 16.908 0.027 1.00 0.00 C ATOM 143 CE1 TYR A 14 7.257 14.361 0.989 1.00 0.00 C ATOM 144 CE2 TYR A 14 8.080 16.533 0.413 1.00 0.00 C ATOM 145 CZ TYR A 14 8.300 15.259 0.894 1.00 0.00 C ATOM 146 OH TYR A 14 9.565 14.882 1.280 1.00 0.00 O ATOM 0 H TYR A 14 4.917 17.098 2.011 1.00 0.00 H new ATOM 0 HA TYR A 14 2.576 17.176 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.010 15.775 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.391 17.443 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.174 14.038 0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.640 17.907 -0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.431 13.364 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.898 17.234 0.339 1.00 0.00 H new ATOM 0 HH TYR A 14 10.184 15.630 1.149 1.00 0.00 H new ATOM 156 N SER A 15 1.653 14.868 -0.008 1.00 0.00 N ATOM 157 CA SER A 15 0.907 13.616 -0.068 1.00 0.00 C ATOM 158 C SER A 15 1.839 12.441 -0.348 1.00 0.00 C ATOM 159 O SER A 15 1.550 11.304 0.025 1.00 0.00 O ATOM 160 CB SER A 15 -0.173 13.694 -1.150 1.00 0.00 C ATOM 161 OG SER A 15 -1.021 14.811 -0.945 1.00 0.00 O ATOM 0 H SER A 15 1.356 15.569 -0.687 1.00 0.00 H new ATOM 0 HA SER A 15 0.432 13.457 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.296 13.765 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.765 12.779 -1.144 1.00 0.00 H new ATOM 0 HG SER A 15 -1.701 14.839 -1.650 1.00 0.00 H new ATOM 167 N ARG A 16 2.958 12.725 -1.006 1.00 0.00 N ATOM 168 CA ARG A 16 3.933 11.692 -1.336 1.00 0.00 C ATOM 169 C ARG A 16 4.207 10.797 -0.131 1.00 0.00 C ATOM 170 O ARG A 16 4.308 9.577 -0.260 1.00 0.00 O ATOM 171 CB ARG A 16 5.237 12.328 -1.821 1.00 0.00 C ATOM 172 CG ARG A 16 5.095 13.087 -3.130 1.00 0.00 C ATOM 173 CD ARG A 16 6.449 13.507 -3.680 1.00 0.00 C ATOM 174 NE ARG A 16 6.335 14.144 -4.989 1.00 0.00 N ATOM 175 CZ ARG A 16 7.262 14.947 -5.499 1.00 0.00 C ATOM 176 NH1 ARG A 16 8.367 15.208 -4.815 1.00 0.00 N ATOM 177 NH2 ARG A 16 7.086 15.489 -6.698 1.00 0.00 N ATOM 0 H ARG A 16 3.212 13.661 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 16 3.518 11.078 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.606 13.009 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.988 11.548 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.582 12.461 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.474 13.970 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.926 14.195 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.096 12.633 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 16 5.497 13.962 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.507 14.792 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.077 15.825 -5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.238 15.289 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.799 16.106 -7.089 1.00 0.00 H new ATOM 191 N THR A 17 4.327 11.413 1.041 1.00 0.00 N ATOM 192 CA THR A 17 4.592 10.674 2.269 1.00 0.00 C ATOM 193 C THR A 17 3.353 9.914 2.731 1.00 0.00 C ATOM 194 O THR A 17 3.455 8.925 3.456 1.00 0.00 O ATOM 195 CB THR A 17 5.057 11.611 3.400 1.00 0.00 C ATOM 196 OG1 THR A 17 5.751 12.736 2.849 1.00 0.00 O ATOM 197 CG2 THR A 17 5.965 10.874 4.373 1.00 0.00 C ATOM 0 H THR A 17 4.245 12.422 1.165 1.00 0.00 H new ATOM 0 HA THR A 17 5.388 9.964 2.045 1.00 0.00 H new ATOM 0 HB THR A 17 4.177 11.958 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.179 13.242 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.281 11.555 5.163 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.424 10.036 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.842 10.502 3.842 1.00 0.00 H new ATOM 205 N ALA A 18 2.185 10.382 2.305 1.00 0.00 N ATOM 206 CA ALA A 18 0.927 9.744 2.673 1.00 0.00 C ATOM 207 C ALA A 18 1.020 8.228 2.539 1.00 0.00 C ATOM 208 O ALA A 18 0.854 7.497 3.516 1.00 0.00 O ATOM 209 CB ALA A 18 -0.209 10.283 1.816 1.00 0.00 C ATOM 0 H ALA A 18 2.083 11.200 1.705 1.00 0.00 H new ATOM 0 HA ALA A 18 0.722 9.978 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.142 9.798 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.299 11.359 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.001 10.079 0.766 1.00 0.00 H new ATOM 215 N LEU A 19 1.285 7.762 1.323 1.00 0.00 N ATOM 216 CA LEU A 19 1.399 6.331 1.061 1.00 0.00 C ATOM 217 C LEU A 19 2.322 5.664 2.075 1.00 0.00 C ATOM 218 O LEU A 19 2.251 4.454 2.292 1.00 0.00 O ATOM 219 CB LEU A 19 1.923 6.093 -0.356 1.00 0.00 C ATOM 220 CG LEU A 19 1.278 6.933 -1.460 1.00 0.00 C ATOM 221 CD1 LEU A 19 1.753 6.470 -2.829 1.00 0.00 C ATOM 222 CD2 LEU A 19 -0.239 6.861 -1.368 1.00 0.00 C ATOM 0 H LEU A 19 1.425 8.353 0.504 1.00 0.00 H new ATOM 0 HA LEU A 19 0.407 5.889 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.996 6.284 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.785 5.040 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 19 1.581 7.971 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.284 7.079 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.836 6.574 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.480 5.425 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.681 7.464 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.561 5.826 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.563 7.241 -0.399 1.00 0.00 H new ATOM 234 N TYR A 20 3.186 6.460 2.695 1.00 0.00 N ATOM 235 CA TYR A 20 4.123 5.947 3.687 1.00 0.00 C ATOM 236 C TYR A 20 3.538 6.047 5.093 1.00 0.00 C ATOM 237 O TYR A 20 3.821 5.216 5.955 1.00 0.00 O ATOM 238 CB TYR A 20 5.444 6.714 3.616 1.00 0.00 C ATOM 239 CG TYR A 20 6.088 6.686 2.248 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.558 7.421 1.194 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.226 5.926 2.009 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.142 7.398 -0.057 1.00 0.00 C ATOM 243 CE2 TYR A 20 7.818 5.898 0.761 1.00 0.00 C ATOM 244 CZ TYR A 20 7.272 6.635 -0.269 1.00 0.00 C ATOM 245 OH TYR A 20 7.858 6.611 -1.514 1.00 0.00 O ATOM 0 H TYR A 20 3.257 7.464 2.528 1.00 0.00 H new ATOM 0 HA TYR A 20 4.308 4.896 3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.269 7.750 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.138 6.294 4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.674 8.020 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.656 5.347 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.717 7.974 -0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.703 5.302 0.593 1.00 0.00 H new ATOM 0 HH TYR A 20 8.644 6.027 -1.494 1.00 0.00 H new ATOM 255 N ASP A 21 2.722 7.071 5.314 1.00 0.00 N ATOM 256 CA ASP A 21 2.095 7.281 6.614 1.00 0.00 C ATOM 257 C ASP A 21 0.996 6.252 6.860 1.00 0.00 C ATOM 258 O ASP A 21 0.802 5.792 7.986 1.00 0.00 O ATOM 259 CB ASP A 21 1.516 8.694 6.703 1.00 0.00 C ATOM 260 CG ASP A 21 2.528 9.704 7.209 1.00 0.00 C ATOM 261 OD1 ASP A 21 2.970 9.571 8.369 1.00 0.00 O ATOM 262 OD2 ASP A 21 2.878 10.626 6.444 1.00 0.00 O ATOM 0 H ASP A 21 2.479 7.769 4.611 1.00 0.00 H new ATOM 0 HA ASP A 21 2.859 7.161 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.162 9.001 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.651 8.688 7.366 1.00 0.00 H new ATOM 267 N LEU A 22 0.279 5.895 5.801 1.00 0.00 N ATOM 268 CA LEU A 22 -0.802 4.921 5.901 1.00 0.00 C ATOM 269 C LEU A 22 -0.295 3.602 6.476 1.00 0.00 C ATOM 270 O LEU A 22 -0.952 2.984 7.314 1.00 0.00 O ATOM 271 CB LEU A 22 -1.430 4.683 4.527 1.00 0.00 C ATOM 272 CG LEU A 22 -2.542 5.651 4.120 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.954 6.908 3.499 1.00 0.00 C ATOM 274 CD2 LEU A 22 -3.508 4.979 3.156 1.00 0.00 C ATOM 0 H LEU A 22 0.427 6.266 4.862 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.559 5.323 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.641 4.731 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.831 3.670 4.504 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.094 5.937 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.760 7.585 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.303 7.401 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.377 6.641 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.292 5.683 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.970 4.663 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.955 4.109 3.637 1.00 0.00 H new ATOM 286 N LEU A 23 0.880 3.178 6.022 1.00 0.00 N ATOM 287 CA LEU A 23 1.477 1.933 6.493 1.00 0.00 C ATOM 288 C LEU A 23 2.177 2.138 7.833 1.00 0.00 C ATOM 289 O LEU A 23 2.225 1.232 8.664 1.00 0.00 O ATOM 290 CB LEU A 23 2.473 1.400 5.461 1.00 0.00 C ATOM 291 CG LEU A 23 1.897 0.479 4.385 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.764 1.170 3.641 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.986 0.043 3.416 1.00 0.00 C ATOM 0 H LEU A 23 1.437 3.678 5.329 1.00 0.00 H new ATOM 0 HA LEU A 23 0.678 1.204 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.945 2.250 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.259 0.861 5.989 1.00 0.00 H new ATOM 0 HG LEU A 23 1.496 -0.410 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.367 0.499 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.027 1.430 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.140 2.076 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.557 -0.612 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.418 0.921 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.764 -0.493 3.960 1.00 0.00 H new ATOM 305 N GLY A 24 2.716 3.336 8.036 1.00 0.00 N ATOM 306 CA GLY A 24 3.404 3.638 9.278 1.00 0.00 C ATOM 307 C GLY A 24 4.907 3.480 9.162 1.00 0.00 C ATOM 308 O GLY A 24 5.573 3.086 10.119 1.00 0.00 O ATOM 0 H GLY A 24 2.689 4.102 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.171 4.659 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.032 2.981 10.064 1.00 0.00 H new ATOM 312 N VAL A 25 5.444 3.787 7.985 1.00 0.00 N ATOM 313 CA VAL A 25 6.878 3.676 7.746 1.00 0.00 C ATOM 314 C VAL A 25 7.439 4.968 7.164 1.00 0.00 C ATOM 315 O VAL A 25 6.751 5.716 6.469 1.00 0.00 O ATOM 316 CB VAL A 25 7.199 2.513 6.789 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.628 1.208 7.324 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.665 2.807 5.396 1.00 0.00 C ATOM 0 H VAL A 25 4.907 4.115 7.182 1.00 0.00 H new ATOM 0 HA VAL A 25 7.346 3.482 8.711 1.00 0.00 H new ATOM 0 HB VAL A 25 8.282 2.408 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.865 0.398 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.064 0.993 8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.546 1.297 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.901 1.975 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.584 2.940 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.127 3.717 5.014 1.00 0.00 H new ATOM 328 N PRO A 26 8.721 5.240 7.454 1.00 0.00 N ATOM 329 CA PRO A 26 9.404 6.442 6.968 1.00 0.00 C ATOM 330 C PRO A 26 9.651 6.401 5.464 1.00 0.00 C ATOM 331 O PRO A 26 9.411 5.384 4.813 1.00 0.00 O ATOM 332 CB PRO A 26 10.733 6.426 7.728 1.00 0.00 C ATOM 333 CG PRO A 26 10.963 4.992 8.059 1.00 0.00 C ATOM 334 CD PRO A 26 9.601 4.394 8.277 1.00 0.00 C ATOM 0 HA PRO A 26 8.812 7.342 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.543 6.826 7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.681 7.037 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.487 4.484 7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.581 4.892 8.951 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.565 3.351 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.315 4.420 9.328 1.00 0.00 H new ATOM 342 N SER A 27 10.131 7.513 4.917 1.00 0.00 N ATOM 343 CA SER A 27 10.407 7.605 3.488 1.00 0.00 C ATOM 344 C SER A 27 11.682 6.847 3.131 1.00 0.00 C ATOM 345 O SER A 27 12.127 6.862 1.983 1.00 0.00 O ATOM 346 CB SER A 27 10.536 9.070 3.065 1.00 0.00 C ATOM 347 OG SER A 27 9.277 9.606 2.696 1.00 0.00 O ATOM 0 H SER A 27 10.337 8.363 5.442 1.00 0.00 H new ATOM 0 HA SER A 27 9.573 7.151 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.957 9.653 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.229 9.151 2.227 1.00 0.00 H new ATOM 0 HG SER A 27 9.385 10.543 2.431 1.00 0.00 H new ATOM 353 N THR A 28 12.267 6.184 4.124 1.00 0.00 N ATOM 354 CA THR A 28 13.491 5.421 3.917 1.00 0.00 C ATOM 355 C THR A 28 13.241 3.926 4.078 1.00 0.00 C ATOM 356 O THR A 28 14.145 3.112 3.890 1.00 0.00 O ATOM 357 CB THR A 28 14.596 5.854 4.900 1.00 0.00 C ATOM 358 OG1 THR A 28 15.833 5.219 4.557 1.00 0.00 O ATOM 359 CG2 THR A 28 14.217 5.499 6.330 1.00 0.00 C ATOM 0 H THR A 28 11.912 6.160 5.080 1.00 0.00 H new ATOM 0 HA THR A 28 13.821 5.624 2.898 1.00 0.00 H new ATOM 0 HB THR A 28 14.712 6.936 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.651 4.345 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.012 5.814 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.290 6.007 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.077 4.421 6.412 1.00 0.00 H new ATOM 367 N ALA A 29 12.008 3.571 4.427 1.00 0.00 N ATOM 368 CA ALA A 29 11.639 2.173 4.610 1.00 0.00 C ATOM 369 C ALA A 29 11.909 1.364 3.346 1.00 0.00 C ATOM 370 O ALA A 29 11.994 1.916 2.249 1.00 0.00 O ATOM 371 CB ALA A 29 10.175 2.062 5.008 1.00 0.00 C ATOM 0 H ALA A 29 11.249 4.232 4.588 1.00 0.00 H new ATOM 0 HA ALA A 29 12.254 1.762 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.913 1.012 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.010 2.599 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.551 2.495 4.226 1.00 0.00 H new ATOM 377 N THR A 30 12.042 0.051 3.507 1.00 0.00 N ATOM 378 CA THR A 30 12.304 -0.834 2.379 1.00 0.00 C ATOM 379 C THR A 30 11.212 -1.889 2.243 1.00 0.00 C ATOM 380 O THR A 30 10.330 -1.994 3.094 1.00 0.00 O ATOM 381 CB THR A 30 13.667 -1.537 2.521 1.00 0.00 C ATOM 382 OG1 THR A 30 13.990 -2.231 1.311 1.00 0.00 O ATOM 383 CG2 THR A 30 13.651 -2.518 3.684 1.00 0.00 C ATOM 0 H THR A 30 11.973 -0.423 4.408 1.00 0.00 H new ATOM 0 HA THR A 30 12.317 -0.211 1.485 1.00 0.00 H new ATOM 0 HB THR A 30 14.424 -0.777 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.859 -2.674 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.624 -3.002 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.434 -1.983 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.883 -3.273 3.513 1.00 0.00 H new ATOM 391 N GLN A 31 11.279 -2.669 1.169 1.00 0.00 N ATOM 392 CA GLN A 31 10.295 -3.716 0.923 1.00 0.00 C ATOM 393 C GLN A 31 9.967 -4.468 2.209 1.00 0.00 C ATOM 394 O GLN A 31 8.801 -4.614 2.573 1.00 0.00 O ATOM 395 CB GLN A 31 10.812 -4.693 -0.135 1.00 0.00 C ATOM 396 CG GLN A 31 11.124 -4.036 -1.470 1.00 0.00 C ATOM 397 CD GLN A 31 10.087 -3.003 -1.867 1.00 0.00 C ATOM 398 OE1 GLN A 31 10.415 -1.843 -2.117 1.00 0.00 O ATOM 399 NE2 GLN A 31 8.828 -3.420 -1.928 1.00 0.00 N ATOM 0 H GLN A 31 12.004 -2.596 0.456 1.00 0.00 H new ATOM 0 HA GLN A 31 9.383 -3.244 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.713 -5.179 0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.069 -5.475 -0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.103 -3.561 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.183 -4.802 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.601 -4.391 -1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.087 -2.770 -2.190 1.00 0.00 H new ATOM 408 N ALA A 32 11.004 -4.943 2.892 1.00 0.00 N ATOM 409 CA ALA A 32 10.825 -5.677 4.138 1.00 0.00 C ATOM 410 C ALA A 32 9.791 -5.001 5.031 1.00 0.00 C ATOM 411 O ALA A 32 8.867 -5.647 5.524 1.00 0.00 O ATOM 412 CB ALA A 32 12.153 -5.806 4.869 1.00 0.00 C ATOM 0 H ALA A 32 11.976 -4.832 2.603 1.00 0.00 H new ATOM 0 HA ALA A 32 10.458 -6.674 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.005 -6.356 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.864 -6.341 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.543 -4.813 5.094 1.00 0.00 H new ATOM 418 N GLN A 33 9.953 -3.698 5.235 1.00 0.00 N ATOM 419 CA GLN A 33 9.033 -2.935 6.070 1.00 0.00 C ATOM 420 C GLN A 33 7.704 -2.715 5.355 1.00 0.00 C ATOM 421 O GLN A 33 6.683 -3.291 5.732 1.00 0.00 O ATOM 422 CB GLN A 33 9.652 -1.588 6.449 1.00 0.00 C ATOM 423 CG GLN A 33 10.866 -1.710 7.355 1.00 0.00 C ATOM 424 CD GLN A 33 11.031 -0.515 8.273 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.654 0.541 7.765 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 10.602 -0.541 9.427 1.00 0.00 N flip ATOM 0 H GLN A 33 10.713 -3.148 4.834 1.00 0.00 H new ATOM 0 HA GLN A 33 8.845 -3.508 6.978 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.939 -1.061 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.898 -0.978 6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.777 -2.615 7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.762 -1.820 6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.129 -1.374 9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.720 0.271 10.033 1.00 0.00 H new ATOM 435 N ILE A 34 7.725 -1.878 4.323 1.00 0.00 N ATOM 436 CA ILE A 34 6.521 -1.583 3.555 1.00 0.00 C ATOM 437 C ILE A 34 5.645 -2.822 3.408 1.00 0.00 C ATOM 438 O ILE A 34 4.417 -2.730 3.390 1.00 0.00 O ATOM 439 CB ILE A 34 6.865 -1.042 2.155 1.00 0.00 C ATOM 440 CG1 ILE A 34 7.685 0.245 2.268 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.595 -0.798 1.354 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.626 0.466 1.105 1.00 0.00 C ATOM 0 H ILE A 34 8.562 -1.392 3.999 1.00 0.00 H new ATOM 0 HA ILE A 34 5.974 -0.818 4.107 1.00 0.00 H new ATOM 0 HB ILE A 34 7.464 -1.787 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.005 1.094 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.262 0.218 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.855 -0.416 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.046 -1.734 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.972 -0.069 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.174 1.396 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.330 -0.364 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.053 0.525 0.180 1.00 0.00 H new ATOM 454 N LYS A 35 6.284 -3.983 3.306 1.00 0.00 N ATOM 455 CA LYS A 35 5.564 -5.243 3.164 1.00 0.00 C ATOM 456 C LYS A 35 5.035 -5.722 4.512 1.00 0.00 C ATOM 457 O LYS A 35 3.887 -6.151 4.622 1.00 0.00 O ATOM 458 CB LYS A 35 6.476 -6.309 2.554 1.00 0.00 C ATOM 459 CG LYS A 35 5.722 -7.475 1.938 1.00 0.00 C ATOM 460 CD LYS A 35 6.538 -8.756 1.989 1.00 0.00 C ATOM 461 CE LYS A 35 5.975 -9.812 1.050 1.00 0.00 C ATOM 462 NZ LYS A 35 6.566 -9.713 -0.314 1.00 0.00 N ATOM 0 H LYS A 35 7.300 -4.077 3.319 1.00 0.00 H new ATOM 0 HA LYS A 35 4.716 -5.076 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.100 -5.847 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.145 -6.688 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.780 -7.621 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.473 -7.242 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.572 -8.541 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.548 -9.142 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.170 -10.803 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.893 -9.701 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.157 -10.449 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.358 -8.776 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.596 -9.844 -0.256 1.00 0.00 H new ATOM 476 N ALA A 36 5.880 -5.646 5.536 1.00 0.00 N ATOM 477 CA ALA A 36 5.496 -6.068 6.877 1.00 0.00 C ATOM 478 C ALA A 36 4.352 -5.215 7.415 1.00 0.00 C ATOM 479 O ALA A 36 3.490 -5.705 8.143 1.00 0.00 O ATOM 480 CB ALA A 36 6.693 -6.002 7.814 1.00 0.00 C ATOM 0 H ALA A 36 6.835 -5.296 5.462 1.00 0.00 H new ATOM 0 HA ALA A 36 5.149 -7.100 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.392 -6.320 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.480 -6.660 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.066 -4.979 7.856 1.00 0.00 H new ATOM 486 N ALA A 37 4.352 -3.937 7.052 1.00 0.00 N ATOM 487 CA ALA A 37 3.313 -3.016 7.497 1.00 0.00 C ATOM 488 C ALA A 37 1.968 -3.360 6.867 1.00 0.00 C ATOM 489 O ALA A 37 1.046 -3.804 7.551 1.00 0.00 O ATOM 490 CB ALA A 37 3.702 -1.583 7.168 1.00 0.00 C ATOM 0 H ALA A 37 5.060 -3.515 6.451 1.00 0.00 H new ATOM 0 HA ALA A 37 3.213 -3.114 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.917 -0.906 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.637 -1.335 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.832 -1.479 6.091 1.00 0.00 H new ATOM 496 N TYR A 38 1.862 -3.150 5.559 1.00 0.00 N ATOM 497 CA TYR A 38 0.628 -3.435 4.837 1.00 0.00 C ATOM 498 C TYR A 38 -0.007 -4.731 5.333 1.00 0.00 C ATOM 499 O TYR A 38 -1.231 -4.864 5.364 1.00 0.00 O ATOM 500 CB TYR A 38 0.901 -3.530 3.335 1.00 0.00 C ATOM 501 CG TYR A 38 -0.211 -4.197 2.558 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.391 -3.519 2.276 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.083 -5.505 2.107 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.410 -4.125 1.567 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.096 -6.118 1.396 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.258 -5.424 1.129 1.00 0.00 C ATOM 507 OH TYR A 38 -3.271 -6.031 0.422 1.00 0.00 O ATOM 0 H TYR A 38 2.616 -2.784 4.978 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.068 -2.617 5.022 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.058 -2.527 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.826 -4.084 3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.513 -2.502 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.825 -6.052 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.321 -3.584 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.979 -7.135 1.051 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.004 -6.944 0.187 1.00 0.00 H new ATOM 517 N TYR A 39 0.834 -5.683 5.720 1.00 0.00 N ATOM 518 CA TYR A 39 0.357 -6.970 6.213 1.00 0.00 C ATOM 519 C TYR A 39 -0.402 -6.803 7.526 1.00 0.00 C ATOM 520 O TYR A 39 -1.477 -7.375 7.711 1.00 0.00 O ATOM 521 CB TYR A 39 1.531 -7.931 6.409 1.00 0.00 C ATOM 522 CG TYR A 39 1.854 -8.750 5.180 1.00 0.00 C ATOM 523 CD1 TYR A 39 2.048 -8.141 3.946 1.00 0.00 C ATOM 524 CD2 TYR A 39 1.967 -10.133 5.252 1.00 0.00 C ATOM 525 CE1 TYR A 39 2.343 -8.886 2.820 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.263 -10.886 4.132 1.00 0.00 C ATOM 527 CZ TYR A 39 2.449 -10.257 2.918 1.00 0.00 C ATOM 528 OH TYR A 39 2.744 -11.003 1.800 1.00 0.00 O ATOM 0 H TYR A 39 1.849 -5.588 5.702 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.324 -7.385 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.413 -7.359 6.697 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.304 -8.605 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.967 -7.067 3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.821 -10.628 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.490 -8.397 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.348 -11.960 4.206 1.00 0.00 H new ATOM 0 HH TYR A 39 2.783 -11.952 2.041 1.00 0.00 H new ATOM 538 N ARG A 40 0.164 -6.014 8.433 1.00 0.00 N ATOM 539 CA ARG A 40 -0.458 -5.771 9.729 1.00 0.00 C ATOM 540 C ARG A 40 -1.822 -5.107 9.561 1.00 0.00 C ATOM 541 O ARG A 40 -2.819 -5.568 10.116 1.00 0.00 O ATOM 542 CB ARG A 40 0.446 -4.892 10.596 1.00 0.00 C ATOM 543 CG ARG A 40 1.656 -5.625 11.151 1.00 0.00 C ATOM 544 CD ARG A 40 2.191 -4.948 12.403 1.00 0.00 C ATOM 545 NE ARG A 40 3.591 -5.281 12.649 1.00 0.00 N ATOM 546 CZ ARG A 40 4.335 -4.690 13.578 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.815 -3.741 14.344 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.602 -5.048 13.742 1.00 0.00 N ATOM 0 H ARG A 40 1.052 -5.532 8.294 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.599 -6.733 10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.786 -4.041 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.138 -4.491 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.385 -6.655 11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.439 -5.663 10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.087 -3.868 12.303 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.591 -5.248 13.262 1.00 0.00 H new ATOM 0 HE ARG A 40 4.022 -6.007 12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.841 -3.463 14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.389 -3.289 15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.006 -5.778 13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.172 -4.594 14.455 1.00 0.00 H new ATOM 562 N GLN A 41 -1.856 -4.022 8.794 1.00 0.00 N ATOM 563 CA GLN A 41 -3.097 -3.295 8.555 1.00 0.00 C ATOM 564 C GLN A 41 -4.258 -4.258 8.333 1.00 0.00 C ATOM 565 O GLN A 41 -5.231 -4.257 9.089 1.00 0.00 O ATOM 566 CB GLN A 41 -2.946 -2.371 7.345 1.00 0.00 C ATOM 567 CG GLN A 41 -1.784 -1.398 7.463 1.00 0.00 C ATOM 568 CD GLN A 41 -1.802 -0.624 8.766 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.858 -0.201 9.236 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.628 -0.433 9.358 1.00 0.00 N ATOM 0 H GLN A 41 -1.039 -3.627 8.328 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.312 -2.693 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.811 -2.978 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.869 -1.807 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.846 -1.947 7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.815 -0.698 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.223 -0.801 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.578 0.082 10.237 1.00 0.00 H new ATOM 579 N CYS A 42 -4.150 -5.077 7.293 1.00 0.00 N ATOM 580 CA CYS A 42 -5.193 -6.045 6.971 1.00 0.00 C ATOM 581 C CYS A 42 -5.681 -6.757 8.229 1.00 0.00 C ATOM 582 O CYS A 42 -6.866 -7.067 8.359 1.00 0.00 O ATOM 583 CB CYS A 42 -4.673 -7.069 5.961 1.00 0.00 C ATOM 584 SG CYS A 42 -5.857 -8.374 5.557 1.00 0.00 S ATOM 0 H CYS A 42 -3.351 -5.090 6.659 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.032 -5.505 6.532 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.394 -6.550 5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.766 -7.526 6.357 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.848 -8.336 6.398 1.00 0.00 H new ATOM 590 N PHE A 43 -4.761 -7.015 9.152 1.00 0.00 N ATOM 591 CA PHE A 43 -5.097 -7.692 10.399 1.00 0.00 C ATOM 592 C PHE A 43 -5.716 -6.719 11.397 1.00 0.00 C ATOM 593 O PHE A 43 -6.587 -7.090 12.185 1.00 0.00 O ATOM 594 CB PHE A 43 -3.849 -8.338 11.005 1.00 0.00 C ATOM 595 CG PHE A 43 -3.979 -8.632 12.472 1.00 0.00 C ATOM 596 CD1 PHE A 43 -3.751 -7.642 13.414 1.00 0.00 C ATOM 597 CD2 PHE A 43 -4.330 -9.899 12.910 1.00 0.00 C ATOM 598 CE1 PHE A 43 -3.870 -7.909 14.765 1.00 0.00 C ATOM 599 CE2 PHE A 43 -4.451 -10.172 14.259 1.00 0.00 C ATOM 600 CZ PHE A 43 -4.220 -9.176 15.188 1.00 0.00 C ATOM 0 H PHE A 43 -3.776 -6.765 9.060 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.828 -8.469 10.176 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.636 -9.266 10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.996 -7.678 10.849 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.477 -6.649 13.089 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.511 -10.682 12.189 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.690 -7.128 15.489 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.726 -11.164 14.587 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.313 -9.388 16.243 1.00 0.00 H new ATOM 610 N LEU A 44 -5.259 -5.472 11.359 1.00 0.00 N ATOM 611 CA LEU A 44 -5.767 -4.444 12.261 1.00 0.00 C ATOM 612 C LEU A 44 -7.220 -4.108 11.941 1.00 0.00 C ATOM 613 O LEU A 44 -8.096 -4.214 12.801 1.00 0.00 O ATOM 614 CB LEU A 44 -4.907 -3.182 12.163 1.00 0.00 C ATOM 615 CG LEU A 44 -3.718 -3.104 13.120 1.00 0.00 C ATOM 616 CD1 LEU A 44 -2.702 -2.084 12.628 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.186 -2.759 14.526 1.00 0.00 C ATOM 0 H LEU A 44 -4.538 -5.149 10.714 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.719 -4.832 13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.532 -3.100 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.546 -2.317 12.338 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.236 -4.081 13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.863 -2.042 13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.343 -2.375 11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.172 -1.102 12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.326 -2.708 15.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.694 -1.795 14.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.874 -3.527 14.879 1.00 0.00 H new ATOM 629 N TYR A 45 -7.470 -3.706 10.700 1.00 0.00 N ATOM 630 CA TYR A 45 -8.817 -3.356 10.267 1.00 0.00 C ATOM 631 C TYR A 45 -9.421 -4.466 9.412 1.00 0.00 C ATOM 632 O TYR A 45 -9.768 -4.251 8.250 1.00 0.00 O ATOM 633 CB TYR A 45 -8.798 -2.044 9.480 1.00 0.00 C ATOM 634 CG TYR A 45 -8.165 -0.896 10.233 1.00 0.00 C ATOM 635 CD1 TYR A 45 -6.785 -0.789 10.347 1.00 0.00 C ATOM 636 CD2 TYR A 45 -8.949 0.084 10.831 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.203 0.258 11.035 1.00 0.00 C ATOM 638 CE2 TYR A 45 -8.376 1.136 11.520 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.003 1.218 11.619 1.00 0.00 C ATOM 640 OH TYR A 45 -6.427 2.263 12.304 1.00 0.00 O ATOM 0 H TYR A 45 -6.757 -3.614 9.976 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.435 -3.230 11.156 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.257 -2.198 8.546 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.820 -1.774 9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.156 -1.538 9.889 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.025 0.022 10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.128 0.325 11.115 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.000 1.889 11.978 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.129 2.851 12.653 1.00 0.00 H new ATOM 650 N HIS A 46 -9.544 -5.653 9.996 1.00 0.00 N ATOM 651 CA HIS A 46 -10.107 -6.798 9.289 1.00 0.00 C ATOM 652 C HIS A 46 -11.607 -6.621 9.076 1.00 0.00 C ATOM 653 O HIS A 46 -12.328 -6.130 9.945 1.00 0.00 O ATOM 654 CB HIS A 46 -9.839 -8.087 10.068 1.00 0.00 C ATOM 655 CG HIS A 46 -9.703 -9.297 9.195 1.00 0.00 C ATOM 656 ND1 HIS A 46 -10.702 -10.237 9.053 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.679 -9.716 8.416 1.00 0.00 C ATOM 658 CE1 HIS A 46 -10.297 -11.184 8.225 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.073 -10.891 7.824 1.00 0.00 N ATOM 0 H HIS A 46 -9.262 -5.848 10.957 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.625 -6.865 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.927 -7.966 10.652 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -10.651 -8.249 10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.729 -9.219 8.284 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.869 -12.050 7.927 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.511 -11.447 7.179 1.00 0.00 H new ATOM 667 N PRO A 47 -12.090 -7.030 7.894 1.00 0.00 N ATOM 668 CA PRO A 47 -13.508 -6.927 7.539 1.00 0.00 C ATOM 669 C PRO A 47 -14.377 -7.892 8.338 1.00 0.00 C ATOM 670 O PRO A 47 -15.519 -7.579 8.676 1.00 0.00 O ATOM 671 CB PRO A 47 -13.530 -7.293 6.053 1.00 0.00 C ATOM 672 CG PRO A 47 -12.325 -8.146 5.855 1.00 0.00 C ATOM 673 CD PRO A 47 -11.288 -7.626 6.812 1.00 0.00 C ATOM 0 HA PRO A 47 -13.911 -5.937 7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.442 -7.829 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.492 -6.403 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.551 -9.193 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.970 -8.088 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.646 -8.425 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.639 -6.888 6.340 1.00 0.00 H new ATOM 681 N ASP A 48 -13.830 -9.064 8.638 1.00 0.00 N ATOM 682 CA ASP A 48 -14.555 -10.075 9.399 1.00 0.00 C ATOM 683 C ASP A 48 -15.083 -9.494 10.707 1.00 0.00 C ATOM 684 O ASP A 48 -16.206 -9.788 11.119 1.00 0.00 O ATOM 685 CB ASP A 48 -13.651 -11.274 9.687 1.00 0.00 C ATOM 686 CG ASP A 48 -14.436 -12.515 10.064 1.00 0.00 C ATOM 687 OD1 ASP A 48 -14.957 -13.188 9.150 1.00 0.00 O ATOM 688 OD2 ASP A 48 -14.529 -12.813 11.273 1.00 0.00 O ATOM 0 H ASP A 48 -12.886 -9.338 8.366 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.403 -10.406 8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.043 -11.486 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.965 -11.022 10.496 1.00 0.00 H new ATOM 693 N ARG A 49 -14.267 -8.671 11.355 1.00 0.00 N ATOM 694 CA ARG A 49 -14.651 -8.051 12.618 1.00 0.00 C ATOM 695 C ARG A 49 -15.457 -6.778 12.376 1.00 0.00 C ATOM 696 O ARG A 49 -16.571 -6.633 12.877 1.00 0.00 O ATOM 697 CB ARG A 49 -13.409 -7.730 13.452 1.00 0.00 C ATOM 698 CG ARG A 49 -12.978 -8.866 14.365 1.00 0.00 C ATOM 699 CD ARG A 49 -12.149 -9.898 13.617 1.00 0.00 C ATOM 700 NE ARG A 49 -10.739 -9.521 13.546 1.00 0.00 N ATOM 701 CZ ARG A 49 -9.940 -9.463 14.606 1.00 0.00 C ATOM 702 NH1 ARG A 49 -10.409 -9.756 15.811 1.00 0.00 N ATOM 703 NH2 ARG A 49 -8.669 -9.111 14.461 1.00 0.00 N ATOM 0 H ARG A 49 -13.335 -8.417 11.027 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.275 -8.757 13.165 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.586 -7.482 12.782 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.606 -6.845 14.056 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.398 -8.466 15.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.859 -9.345 14.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.241 -10.865 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.543 -10.018 12.608 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.347 -9.290 12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.386 -10.027 15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.793 -9.711 16.623 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.305 -8.885 13.535 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.056 -9.067 15.275 1.00 0.00 H new ATOM 717 N ASN A 50 -14.885 -5.859 11.605 1.00 0.00 N ATOM 718 CA ASN A 50 -15.549 -4.598 11.297 1.00 0.00 C ATOM 719 C ASN A 50 -16.876 -4.842 10.584 1.00 0.00 C ATOM 720 O ASN A 50 -16.904 -5.291 9.438 1.00 0.00 O ATOM 721 CB ASN A 50 -14.646 -3.720 10.429 1.00 0.00 C ATOM 722 CG ASN A 50 -13.562 -3.031 11.236 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.565 -1.809 11.384 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.628 -3.814 11.762 1.00 0.00 N ATOM 0 H ASN A 50 -13.963 -5.964 11.182 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.750 -4.084 12.237 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.185 -4.332 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.252 -2.968 9.923 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.873 -3.407 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.665 -4.822 11.614 1.00 0.00 H new ATOM 731 N SER A 51 -17.974 -4.543 11.271 1.00 0.00 N ATOM 732 CA SER A 51 -19.305 -4.733 10.705 1.00 0.00 C ATOM 733 C SER A 51 -19.849 -3.422 10.145 1.00 0.00 C ATOM 734 O SER A 51 -20.121 -2.481 10.890 1.00 0.00 O ATOM 735 CB SER A 51 -20.260 -5.283 11.767 1.00 0.00 C ATOM 736 OG SER A 51 -21.500 -5.655 11.193 1.00 0.00 O ATOM 0 H SER A 51 -17.968 -4.168 12.220 1.00 0.00 H new ATOM 0 HA SER A 51 -19.227 -5.452 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.808 -6.146 12.255 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.424 -4.530 12.538 1.00 0.00 H new ATOM 0 HG SER A 51 -22.092 -6.005 11.891 1.00 0.00 H new ATOM 742 N GLY A 52 -20.005 -3.369 8.826 1.00 0.00 N ATOM 743 CA GLY A 52 -20.516 -2.170 8.187 1.00 0.00 C ATOM 744 C GLY A 52 -19.894 -0.905 8.747 1.00 0.00 C ATOM 745 O GLY A 52 -20.603 0.030 9.120 1.00 0.00 O ATOM 0 H GLY A 52 -19.787 -4.135 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.323 -2.223 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.598 -2.127 8.314 1.00 0.00 H new ATOM 749 N SER A 53 -18.567 -0.877 8.806 1.00 0.00 N ATOM 750 CA SER A 53 -17.850 0.281 9.330 1.00 0.00 C ATOM 751 C SER A 53 -17.911 1.447 8.348 1.00 0.00 C ATOM 752 O SER A 53 -18.169 1.259 7.160 1.00 0.00 O ATOM 753 CB SER A 53 -16.392 -0.083 9.617 1.00 0.00 C ATOM 754 OG SER A 53 -15.787 -0.694 8.491 1.00 0.00 O ATOM 0 H SER A 53 -17.966 -1.642 8.498 1.00 0.00 H new ATOM 0 HA SER A 53 -18.331 0.586 10.260 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.837 0.815 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.344 -0.759 10.471 1.00 0.00 H new ATOM 0 HG SER A 53 -15.595 -0.013 7.813 1.00 0.00 H new ATOM 760 N ALA A 54 -17.673 2.652 8.855 1.00 0.00 N ATOM 761 CA ALA A 54 -17.699 3.849 8.025 1.00 0.00 C ATOM 762 C ALA A 54 -16.286 4.342 7.728 1.00 0.00 C ATOM 763 O ALA A 54 -15.982 4.743 6.605 1.00 0.00 O ATOM 764 CB ALA A 54 -18.511 4.944 8.701 1.00 0.00 C ATOM 0 H ALA A 54 -17.460 2.825 9.837 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.173 3.593 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.521 5.832 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.533 4.597 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.062 5.189 9.663 1.00 0.00 H new ATOM 770 N GLU A 55 -15.428 4.311 8.743 1.00 0.00 N ATOM 771 CA GLU A 55 -14.049 4.757 8.590 1.00 0.00 C ATOM 772 C GLU A 55 -13.190 3.663 7.961 1.00 0.00 C ATOM 773 O GLU A 55 -12.555 3.875 6.928 1.00 0.00 O ATOM 774 CB GLU A 55 -13.466 5.160 9.946 1.00 0.00 C ATOM 775 CG GLU A 55 -14.000 6.483 10.469 1.00 0.00 C ATOM 776 CD GLU A 55 -15.260 6.318 11.296 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.416 5.257 11.935 1.00 0.00 O ATOM 778 OE2 GLU A 55 -16.090 7.251 11.304 1.00 0.00 O ATOM 0 H GLU A 55 -15.664 3.982 9.679 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.046 5.624 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.684 4.377 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.381 5.224 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.233 6.966 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.206 7.145 9.628 1.00 0.00 H new ATOM 785 N ALA A 56 -13.177 2.493 8.591 1.00 0.00 N ATOM 786 CA ALA A 56 -12.399 1.366 8.093 1.00 0.00 C ATOM 787 C ALA A 56 -12.645 1.144 6.604 1.00 0.00 C ATOM 788 O ALA A 56 -11.785 0.623 5.895 1.00 0.00 O ATOM 789 CB ALA A 56 -12.732 0.106 8.879 1.00 0.00 C ATOM 0 H ALA A 56 -13.697 2.301 9.447 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.343 1.597 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.144 -0.728 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.498 0.262 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.793 -0.120 8.772 1.00 0.00 H new ATOM 795 N ALA A 57 -13.825 1.541 6.139 1.00 0.00 N ATOM 796 CA ALA A 57 -14.183 1.387 4.734 1.00 0.00 C ATOM 797 C ALA A 57 -13.289 2.242 3.842 1.00 0.00 C ATOM 798 O ALA A 57 -12.540 1.720 3.017 1.00 0.00 O ATOM 799 CB ALA A 57 -15.645 1.747 4.520 1.00 0.00 C ATOM 0 H ALA A 57 -14.549 1.971 6.714 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.033 0.343 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.899 1.628 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.273 1.090 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.812 2.782 4.818 1.00 0.00 H new ATOM 805 N GLU A 58 -13.374 3.557 4.013 1.00 0.00 N ATOM 806 CA GLU A 58 -12.573 4.483 3.222 1.00 0.00 C ATOM 807 C GLU A 58 -11.091 4.340 3.552 1.00 0.00 C ATOM 808 O GLU A 58 -10.231 4.526 2.690 1.00 0.00 O ATOM 809 CB GLU A 58 -13.025 5.924 3.470 1.00 0.00 C ATOM 810 CG GLU A 58 -12.393 6.557 4.699 1.00 0.00 C ATOM 811 CD GLU A 58 -12.966 7.926 5.009 1.00 0.00 C ATOM 812 OE1 GLU A 58 -14.187 8.113 4.827 1.00 0.00 O ATOM 813 OE2 GLU A 58 -12.194 8.810 5.435 1.00 0.00 O ATOM 0 H GLU A 58 -13.989 4.005 4.692 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.718 4.240 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.783 6.528 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.109 5.942 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.541 5.902 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.317 6.643 4.546 1.00 0.00 H new ATOM 820 N ARG A 59 -10.799 4.007 4.805 1.00 0.00 N ATOM 821 CA ARG A 59 -9.420 3.840 5.250 1.00 0.00 C ATOM 822 C ARG A 59 -8.771 2.639 4.569 1.00 0.00 C ATOM 823 O ARG A 59 -7.644 2.723 4.080 1.00 0.00 O ATOM 824 CB ARG A 59 -9.370 3.668 6.769 1.00 0.00 C ATOM 825 CG ARG A 59 -7.959 3.543 7.321 1.00 0.00 C ATOM 826 CD ARG A 59 -7.303 4.905 7.485 1.00 0.00 C ATOM 827 NE ARG A 59 -7.918 5.684 8.555 1.00 0.00 N ATOM 828 CZ ARG A 59 -7.559 6.926 8.860 1.00 0.00 C ATOM 829 NH1 ARG A 59 -6.594 7.527 8.178 1.00 0.00 N ATOM 830 NH2 ARG A 59 -8.167 7.570 9.848 1.00 0.00 N ATOM 0 H ARG A 59 -11.498 3.847 5.530 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.864 4.736 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.861 4.520 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.939 2.780 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.988 3.033 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.358 2.927 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.242 4.773 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.375 5.457 6.548 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.665 5.251 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.125 7.036 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.320 8.481 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.911 7.111 10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.891 8.524 10.081 1.00 0.00 H new ATOM 844 N PHE A 60 -9.490 1.521 4.541 1.00 0.00 N ATOM 845 CA PHE A 60 -8.984 0.302 3.922 1.00 0.00 C ATOM 846 C PHE A 60 -8.667 0.532 2.447 1.00 0.00 C ATOM 847 O PHE A 60 -7.525 0.379 2.013 1.00 0.00 O ATOM 848 CB PHE A 60 -10.003 -0.830 4.066 1.00 0.00 C ATOM 849 CG PHE A 60 -9.532 -2.138 3.497 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.522 -2.855 4.118 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.098 -2.649 2.340 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.086 -4.059 3.597 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.666 -3.852 1.815 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.658 -4.558 2.443 1.00 0.00 C ATOM 0 H PHE A 60 -10.425 1.435 4.940 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.064 0.020 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.236 -0.966 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.929 -0.540 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.070 -2.469 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.885 -2.101 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.299 -4.609 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.116 -4.240 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.318 -5.497 2.033 1.00 0.00 H new ATOM 864 N THR A 61 -9.688 0.900 1.679 1.00 0.00 N ATOM 865 CA THR A 61 -9.521 1.150 0.253 1.00 0.00 C ATOM 866 C THR A 61 -8.275 1.985 -0.017 1.00 0.00 C ATOM 867 O THR A 61 -7.589 1.787 -1.020 1.00 0.00 O ATOM 868 CB THR A 61 -10.747 1.872 -0.338 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.925 1.085 -0.133 1.00 0.00 O ATOM 870 CG2 THR A 61 -10.557 2.131 -1.825 1.00 0.00 C ATOM 0 H THR A 61 -10.640 1.031 2.021 1.00 0.00 H new ATOM 0 HA THR A 61 -9.414 0.178 -0.228 1.00 0.00 H new ATOM 0 HB THR A 61 -10.857 2.830 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.235 1.195 0.790 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.435 2.642 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.676 2.755 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.424 1.183 -2.345 1.00 0.00 H new ATOM 878 N ARG A 62 -7.986 2.917 0.885 1.00 0.00 N ATOM 879 CA ARG A 62 -6.821 3.782 0.744 1.00 0.00 C ATOM 880 C ARG A 62 -5.543 3.039 1.120 1.00 0.00 C ATOM 881 O ARG A 62 -4.531 3.132 0.424 1.00 0.00 O ATOM 882 CB ARG A 62 -6.975 5.028 1.618 1.00 0.00 C ATOM 883 CG ARG A 62 -7.668 6.184 0.914 1.00 0.00 C ATOM 884 CD ARG A 62 -7.240 7.524 1.491 1.00 0.00 C ATOM 885 NE ARG A 62 -5.972 7.982 0.929 1.00 0.00 N ATOM 886 CZ ARG A 62 -5.443 9.173 1.183 1.00 0.00 C ATOM 887 NH1 ARG A 62 -6.069 10.022 1.986 1.00 0.00 N ATOM 888 NH2 ARG A 62 -4.285 9.517 0.634 1.00 0.00 N ATOM 0 H ARG A 62 -8.543 3.092 1.721 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.750 4.086 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.541 4.767 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.989 5.354 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.437 6.154 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.748 6.074 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.013 8.267 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.147 7.439 2.574 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.465 7.352 0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.959 9.761 2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.661 10.936 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.800 8.866 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.880 10.432 0.830 1.00 0.00 H new ATOM 902 N ILE A 63 -5.596 2.303 2.225 1.00 0.00 N ATOM 903 CA ILE A 63 -4.443 1.544 2.693 1.00 0.00 C ATOM 904 C ILE A 63 -3.856 0.690 1.574 1.00 0.00 C ATOM 905 O ILE A 63 -2.641 0.650 1.382 1.00 0.00 O ATOM 906 CB ILE A 63 -4.812 0.633 3.878 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.080 1.471 5.130 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.703 -0.376 4.137 1.00 0.00 C ATOM 909 CD1 ILE A 63 -6.045 0.822 6.097 1.00 0.00 C ATOM 0 H ILE A 63 -6.425 2.216 2.813 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.700 2.270 3.021 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.722 0.087 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.136 1.657 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.476 2.441 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.979 -1.012 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.556 -0.991 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.778 0.152 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.187 1.472 6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.003 0.661 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.641 -0.135 6.427 1.00 0.00 H new ATOM 921 N SER A 64 -4.728 0.010 0.836 1.00 0.00 N ATOM 922 CA SER A 64 -4.296 -0.845 -0.264 1.00 0.00 C ATOM 923 C SER A 64 -3.520 -0.042 -1.303 1.00 0.00 C ATOM 924 O SER A 64 -2.504 -0.501 -1.824 1.00 0.00 O ATOM 925 CB SER A 64 -5.504 -1.517 -0.919 1.00 0.00 C ATOM 926 OG SER A 64 -5.185 -1.982 -2.219 1.00 0.00 O ATOM 0 H SER A 64 -5.738 0.034 0.980 1.00 0.00 H new ATOM 0 HA SER A 64 -3.638 -1.613 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.839 -2.351 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.332 -0.810 -0.975 1.00 0.00 H new ATOM 0 HG SER A 64 -5.973 -2.409 -2.616 1.00 0.00 H new ATOM 932 N GLN A 65 -4.007 1.158 -1.599 1.00 0.00 N ATOM 933 CA GLN A 65 -3.360 2.025 -2.577 1.00 0.00 C ATOM 934 C GLN A 65 -1.879 2.197 -2.256 1.00 0.00 C ATOM 935 O GLN A 65 -1.028 2.103 -3.140 1.00 0.00 O ATOM 936 CB GLN A 65 -4.048 3.391 -2.613 1.00 0.00 C ATOM 937 CG GLN A 65 -5.528 3.318 -2.951 1.00 0.00 C ATOM 938 CD GLN A 65 -6.035 4.578 -3.625 1.00 0.00 C ATOM 939 OE1 GLN A 65 -5.252 5.407 -4.088 1.00 0.00 O ATOM 940 NE2 GLN A 65 -7.354 4.728 -3.683 1.00 0.00 N ATOM 0 H GLN A 65 -4.847 1.552 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.449 1.555 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.929 3.874 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.547 4.022 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.706 2.464 -3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.097 3.145 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.966 4.015 -3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.754 5.556 -4.125 1.00 0.00 H new ATOM 949 N ALA A 66 -1.579 2.449 -0.986 1.00 0.00 N ATOM 950 CA ALA A 66 -0.200 2.632 -0.549 1.00 0.00 C ATOM 951 C ALA A 66 0.640 1.395 -0.849 1.00 0.00 C ATOM 952 O ALA A 66 1.856 1.486 -1.022 1.00 0.00 O ATOM 953 CB ALA A 66 -0.157 2.954 0.937 1.00 0.00 C ATOM 0 H ALA A 66 -2.272 2.531 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 66 0.223 3.469 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.878 3.088 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.715 3.871 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.603 2.134 1.500 1.00 0.00 H new ATOM 959 N TYR A 67 -0.015 0.242 -0.910 1.00 0.00 N ATOM 960 CA TYR A 67 0.672 -1.014 -1.186 1.00 0.00 C ATOM 961 C TYR A 67 0.836 -1.227 -2.688 1.00 0.00 C ATOM 962 O TYR A 67 1.126 -2.333 -3.143 1.00 0.00 O ATOM 963 CB TYR A 67 -0.097 -2.186 -0.575 1.00 0.00 C ATOM 964 CG TYR A 67 0.712 -3.461 -0.487 1.00 0.00 C ATOM 965 CD1 TYR A 67 1.938 -3.485 0.166 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.250 -4.641 -1.057 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.681 -4.647 0.248 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.985 -5.808 -0.979 1.00 0.00 C ATOM 969 CZ TYR A 67 2.200 -5.806 -0.325 1.00 0.00 C ATOM 970 OH TYR A 67 2.936 -6.966 -0.246 1.00 0.00 O ATOM 0 H TYR A 67 -1.021 0.151 -0.772 1.00 0.00 H new ATOM 0 HA TYR A 67 1.663 -0.963 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.432 -1.908 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.991 -2.373 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.317 -2.580 0.617 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.700 -4.646 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.633 -4.648 0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.611 -6.717 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 67 2.455 -7.690 -0.699 1.00 0.00 H new ATOM 980 N VAL A 68 0.647 -0.157 -3.455 1.00 0.00 N ATOM 981 CA VAL A 68 0.775 -0.224 -4.905 1.00 0.00 C ATOM 982 C VAL A 68 2.077 0.417 -5.373 1.00 0.00 C ATOM 983 O VAL A 68 2.987 -0.270 -5.838 1.00 0.00 O ATOM 984 CB VAL A 68 -0.407 0.473 -5.606 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.319 0.288 -7.113 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.730 -0.057 -5.071 1.00 0.00 C ATOM 0 H VAL A 68 0.405 0.766 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 68 0.776 -1.280 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.356 1.541 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.162 0.787 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.613 0.719 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.344 -0.775 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.554 0.446 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.793 -1.130 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.792 0.133 -3.999 1.00 0.00 H new ATOM 996 N VAL A 69 2.159 1.737 -5.245 1.00 0.00 N ATOM 997 CA VAL A 69 3.351 2.472 -5.653 1.00 0.00 C ATOM 998 C VAL A 69 4.576 2.007 -4.873 1.00 0.00 C ATOM 999 O VAL A 69 5.704 2.087 -5.362 1.00 0.00 O ATOM 1000 CB VAL A 69 3.172 3.988 -5.452 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.441 4.732 -5.840 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.982 4.494 -6.252 1.00 0.00 C ATOM 0 H VAL A 69 1.415 2.320 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 69 3.501 2.270 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 69 2.978 4.177 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.295 5.802 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.268 4.389 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.670 4.539 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.870 5.567 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.144 4.294 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.077 3.984 -5.921 1.00 0.00 H new ATOM 1012 N LEU A 70 4.348 1.522 -3.658 1.00 0.00 N ATOM 1013 CA LEU A 70 5.433 1.043 -2.809 1.00 0.00 C ATOM 1014 C LEU A 70 5.446 -0.481 -2.748 1.00 0.00 C ATOM 1015 O LEU A 70 6.440 -1.088 -2.352 1.00 0.00 O ATOM 1016 CB LEU A 70 5.296 1.620 -1.399 1.00 0.00 C ATOM 1017 CG LEU A 70 4.670 3.012 -1.301 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.276 3.320 0.136 1.00 0.00 C ATOM 1019 CD2 LEU A 70 5.629 4.067 -1.831 1.00 0.00 C ATOM 0 H LEU A 70 3.421 1.450 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 70 6.375 1.378 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.697 0.931 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.286 1.656 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 70 3.769 3.028 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.832 4.314 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.552 2.582 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.161 3.285 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.167 5.051 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.548 4.051 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.861 3.856 -2.875 1.00 0.00 H new ATOM 1031 N GLY A 71 4.334 -1.093 -3.145 1.00 0.00 N ATOM 1032 CA GLY A 71 4.239 -2.541 -3.130 1.00 0.00 C ATOM 1033 C GLY A 71 5.381 -3.205 -3.874 1.00 0.00 C ATOM 1034 O GLY A 71 5.970 -4.169 -3.387 1.00 0.00 O ATOM 0 H GLY A 71 3.498 -0.612 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.230 -2.891 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.293 -2.845 -3.578 1.00 0.00 H new ATOM 1038 N SER A 72 5.693 -2.689 -5.058 1.00 0.00 N ATOM 1039 CA SER A 72 6.768 -3.241 -5.873 1.00 0.00 C ATOM 1040 C SER A 72 7.996 -2.337 -5.838 1.00 0.00 C ATOM 1041 O SER A 72 7.904 -1.136 -6.091 1.00 0.00 O ATOM 1042 CB SER A 72 6.298 -3.426 -7.318 1.00 0.00 C ATOM 1043 OG SER A 72 5.593 -4.646 -7.472 1.00 0.00 O ATOM 0 H SER A 72 5.216 -1.889 -5.474 1.00 0.00 H new ATOM 0 HA SER A 72 7.041 -4.212 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.656 -2.593 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.158 -3.412 -7.988 1.00 0.00 H new ATOM 0 HG SER A 72 5.302 -4.740 -8.403 1.00 0.00 H new ATOM 1049 N ALA A 73 9.146 -2.923 -5.523 1.00 0.00 N ATOM 1050 CA ALA A 73 10.394 -2.172 -5.456 1.00 0.00 C ATOM 1051 C ALA A 73 10.539 -1.241 -6.654 1.00 0.00 C ATOM 1052 O ALA A 73 10.789 -0.045 -6.499 1.00 0.00 O ATOM 1053 CB ALA A 73 11.579 -3.123 -5.378 1.00 0.00 C ATOM 0 H ALA A 73 9.240 -3.916 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 73 10.373 -1.560 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.504 -2.548 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.489 -3.744 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.594 -3.759 -6.263 1.00 0.00 H new ATOM 1059 N THR A 74 10.381 -1.795 -7.852 1.00 0.00 N ATOM 1060 CA THR A 74 10.495 -1.015 -9.078 1.00 0.00 C ATOM 1061 C THR A 74 9.741 0.305 -8.962 1.00 0.00 C ATOM 1062 O THR A 74 10.347 1.375 -8.893 1.00 0.00 O ATOM 1063 CB THR A 74 9.959 -1.794 -10.293 1.00 0.00 C ATOM 1064 OG1 THR A 74 10.720 -2.993 -10.480 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.024 -0.944 -11.553 1.00 0.00 C ATOM 0 H THR A 74 10.173 -2.783 -7.999 1.00 0.00 H new ATOM 0 HA THR A 74 11.556 -0.813 -9.226 1.00 0.00 H new ATOM 0 HB THR A 74 8.917 -2.051 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.372 -3.484 -11.254 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.640 -1.516 -12.398 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.420 -0.046 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.058 -0.660 -11.747 1.00 0.00 H new ATOM 1073 N LEU A 75 8.415 0.222 -8.939 1.00 0.00 N ATOM 1074 CA LEU A 75 7.577 1.411 -8.830 1.00 0.00 C ATOM 1075 C LEU A 75 8.188 2.422 -7.864 1.00 0.00 C ATOM 1076 O LEU A 75 8.556 3.528 -8.260 1.00 0.00 O ATOM 1077 CB LEU A 75 6.172 1.027 -8.362 1.00 0.00 C ATOM 1078 CG LEU A 75 5.458 -0.043 -9.189 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.022 -0.212 -8.719 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.499 0.310 -10.669 1.00 0.00 C ATOM 0 H LEU A 75 7.898 -0.655 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 75 7.513 1.871 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.237 0.678 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.555 1.925 -8.356 1.00 0.00 H new ATOM 0 HG LEU A 75 5.978 -0.990 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.530 -0.977 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.015 -0.513 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.490 0.733 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.986 -0.463 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.004 1.268 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.536 0.378 -10.998 1.00 0.00 H new ATOM 1092 N ARG A 76 8.293 2.034 -6.598 1.00 0.00 N ATOM 1093 CA ARG A 76 8.861 2.905 -5.576 1.00 0.00 C ATOM 1094 C ARG A 76 10.059 3.675 -6.123 1.00 0.00 C ATOM 1095 O ARG A 76 10.117 4.901 -6.030 1.00 0.00 O ATOM 1096 CB ARG A 76 9.281 2.087 -4.354 1.00 0.00 C ATOM 1097 CG ARG A 76 9.697 2.939 -3.165 1.00 0.00 C ATOM 1098 CD ARG A 76 10.718 2.221 -2.296 1.00 0.00 C ATOM 1099 NE ARG A 76 11.527 3.155 -1.517 1.00 0.00 N ATOM 1100 CZ ARG A 76 12.501 2.776 -0.697 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.786 1.490 -0.550 1.00 0.00 N ATOM 1102 NH2 ARG A 76 13.192 3.686 -0.022 1.00 0.00 N ATOM 0 H ARG A 76 7.992 1.122 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 76 8.095 3.622 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.454 1.442 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.110 1.435 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.117 3.880 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.819 3.186 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.203 1.537 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.369 1.616 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 76 11.334 4.152 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.257 0.788 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.534 1.202 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.975 4.677 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.940 3.395 0.608 1.00 0.00 H new ATOM 1116 N ARG A 77 11.014 2.947 -6.692 1.00 0.00 N ATOM 1117 CA ARG A 77 12.212 3.561 -7.252 1.00 0.00 C ATOM 1118 C ARG A 77 11.853 4.529 -8.375 1.00 0.00 C ATOM 1119 O ARG A 77 12.367 5.646 -8.436 1.00 0.00 O ATOM 1120 CB ARG A 77 13.165 2.485 -7.776 1.00 0.00 C ATOM 1121 CG ARG A 77 13.596 1.484 -6.717 1.00 0.00 C ATOM 1122 CD ARG A 77 13.922 0.130 -7.329 1.00 0.00 C ATOM 1123 NE ARG A 77 14.296 -0.852 -6.315 1.00 0.00 N ATOM 1124 CZ ARG A 77 14.353 -2.160 -6.545 1.00 0.00 C ATOM 1125 NH1 ARG A 77 14.063 -2.638 -7.747 1.00 0.00 N ATOM 1126 NH2 ARG A 77 14.703 -2.991 -5.572 1.00 0.00 N ATOM 0 H ARG A 77 10.982 1.931 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 77 12.708 4.120 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.681 1.950 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.051 2.967 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.470 1.865 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.802 1.369 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.058 -0.234 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.737 0.242 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 77 14.526 -0.516 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.795 -2.002 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.108 -3.642 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.929 -2.626 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.746 -3.995 -5.749 1.00 0.00 H new ATOM 1140 N LYS A 78 10.968 4.092 -9.265 1.00 0.00 N ATOM 1141 CA LYS A 78 10.538 4.918 -10.387 1.00 0.00 C ATOM 1142 C LYS A 78 10.086 6.294 -9.907 1.00 0.00 C ATOM 1143 O LYS A 78 10.662 7.314 -10.286 1.00 0.00 O ATOM 1144 CB LYS A 78 9.400 4.232 -11.146 1.00 0.00 C ATOM 1145 CG LYS A 78 9.769 2.861 -11.685 1.00 0.00 C ATOM 1146 CD LYS A 78 8.805 2.410 -12.770 1.00 0.00 C ATOM 1147 CE LYS A 78 9.270 2.852 -14.148 1.00 0.00 C ATOM 1148 NZ LYS A 78 10.183 1.854 -14.772 1.00 0.00 N ATOM 0 H LYS A 78 10.534 3.169 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 78 11.388 5.047 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.540 4.133 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.092 4.869 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.782 2.887 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.767 2.136 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.712 1.324 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.814 2.819 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.404 3.004 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.781 3.812 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.478 2.192 -15.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.022 1.727 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.688 0.945 -14.872 1.00 0.00 H new ATOM 1162 N TYR A 79 9.054 6.314 -9.072 1.00 0.00 N ATOM 1163 CA TYR A 79 8.524 7.565 -8.541 1.00 0.00 C ATOM 1164 C TYR A 79 9.654 8.517 -8.161 1.00 0.00 C ATOM 1165 O TYR A 79 9.586 9.717 -8.425 1.00 0.00 O ATOM 1166 CB TYR A 79 7.639 7.293 -7.324 1.00 0.00 C ATOM 1167 CG TYR A 79 6.673 8.414 -7.015 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.803 8.895 -7.987 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.629 8.993 -5.753 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.919 9.920 -7.710 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.747 10.017 -5.467 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.894 10.477 -6.448 1.00 0.00 C ATOM 1173 OH TYR A 79 4.015 11.497 -6.168 1.00 0.00 O ATOM 0 H TYR A 79 8.567 5.478 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 79 7.923 8.035 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.076 6.375 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.274 7.122 -6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.818 8.460 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.296 8.636 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.251 10.283 -8.477 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.726 10.455 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 79 3.524 11.289 -5.346 1.00 0.00 H new ATOM 1183 N ASP A 80 10.693 7.972 -7.538 1.00 0.00 N ATOM 1184 CA ASP A 80 11.840 8.770 -7.122 1.00 0.00 C ATOM 1185 C ASP A 80 12.517 9.419 -8.325 1.00 0.00 C ATOM 1186 O ASP A 80 12.910 10.584 -8.276 1.00 0.00 O ATOM 1187 CB ASP A 80 12.845 7.902 -6.363 1.00 0.00 C ATOM 1188 CG ASP A 80 13.625 8.689 -5.328 1.00 0.00 C ATOM 1189 OD1 ASP A 80 12.987 9.351 -4.483 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.872 8.643 -5.363 1.00 0.00 O ATOM 0 H ASP A 80 10.764 6.980 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 80 11.481 9.559 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.317 7.085 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.540 7.451 -7.072 1.00 0.00 H new ATOM 1195 N ARG A 81 12.650 8.655 -9.405 1.00 0.00 N ATOM 1196 CA ARG A 81 13.281 9.155 -10.621 1.00 0.00 C ATOM 1197 C ARG A 81 12.266 9.874 -11.504 1.00 0.00 C ATOM 1198 O ARG A 81 12.551 10.200 -12.656 1.00 0.00 O ATOM 1199 CB ARG A 81 13.924 8.004 -11.397 1.00 0.00 C ATOM 1200 CG ARG A 81 14.795 7.101 -10.538 1.00 0.00 C ATOM 1201 CD ARG A 81 15.883 7.890 -9.827 1.00 0.00 C ATOM 1202 NE ARG A 81 16.999 7.040 -9.422 1.00 0.00 N ATOM 1203 CZ ARG A 81 17.847 6.482 -10.279 1.00 0.00 C ATOM 1204 NH1 ARG A 81 17.707 6.685 -11.582 1.00 0.00 N ATOM 1205 NH2 ARG A 81 18.838 5.721 -9.834 1.00 0.00 N ATOM 0 H ARG A 81 12.330 7.688 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 81 14.054 9.867 -10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.139 7.405 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.528 8.415 -12.206 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.175 6.589 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.250 6.332 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.248 8.678 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.461 8.378 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 81 17.135 6.865 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.947 7.271 -11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.359 6.256 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.950 5.563 -8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 81 19.488 5.293 -10.493 1.00 0.00 H new ATOM 1219 N GLY A 82 11.080 10.118 -10.956 1.00 0.00 N ATOM 1220 CA GLY A 82 10.041 10.797 -11.708 1.00 0.00 C ATOM 1221 C GLY A 82 9.558 9.983 -12.893 1.00 0.00 C ATOM 1222 O GLY A 82 8.788 10.474 -13.720 1.00 0.00 O ATOM 0 H GLY A 82 10.820 9.858 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.199 11.009 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.419 11.757 -12.060 1.00 0.00 H new ATOM 1226 N LEU A 83 10.011 8.738 -12.978 1.00 0.00 N ATOM 1227 CA LEU A 83 9.622 7.854 -14.071 1.00 0.00 C ATOM 1228 C LEU A 83 8.170 7.410 -13.922 1.00 0.00 C ATOM 1229 O LEU A 83 7.461 7.228 -14.912 1.00 0.00 O ATOM 1230 CB LEU A 83 10.539 6.631 -14.116 1.00 0.00 C ATOM 1231 CG LEU A 83 12.033 6.918 -14.272 1.00 0.00 C ATOM 1232 CD1 LEU A 83 12.859 5.768 -13.716 1.00 0.00 C ATOM 1233 CD2 LEU A 83 12.379 7.167 -15.733 1.00 0.00 C ATOM 0 H LEU A 83 10.649 8.317 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 83 9.720 8.408 -15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.393 6.058 -13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.223 5.995 -14.943 1.00 0.00 H new ATOM 0 HG LEU A 83 12.271 7.817 -13.704 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.919 5.990 -13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.633 5.636 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.617 4.852 -14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.446 7.370 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.125 6.286 -16.322 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.814 8.024 -16.100 1.00 0.00 H new ATOM 1245 N LEU A 84 7.734 7.240 -12.679 1.00 0.00 N ATOM 1246 CA LEU A 84 6.366 6.819 -12.399 1.00 0.00 C ATOM 1247 C LEU A 84 5.396 7.986 -12.551 1.00 0.00 C ATOM 1248 O LEU A 84 5.755 9.140 -12.314 1.00 0.00 O ATOM 1249 CB LEU A 84 6.268 6.240 -10.987 1.00 0.00 C ATOM 1250 CG LEU A 84 4.934 5.588 -10.620 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.904 4.139 -11.081 1.00 0.00 C ATOM 1252 CD2 LEU A 84 4.692 5.677 -9.120 1.00 0.00 C ATOM 0 H LEU A 84 8.308 7.387 -11.849 1.00 0.00 H new ATOM 0 HA LEU A 84 6.094 6.048 -13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.058 5.499 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.467 7.039 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 84 4.135 6.127 -11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.948 3.691 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.032 4.099 -12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.711 3.587 -10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.738 5.208 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.494 5.163 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.670 6.724 -8.817 1.00 0.00 H new ATOM 1264 N SER A 85 4.164 7.678 -12.945 1.00 0.00 N ATOM 1265 CA SER A 85 3.142 8.702 -13.130 1.00 0.00 C ATOM 1266 C SER A 85 1.747 8.120 -12.924 1.00 0.00 C ATOM 1267 O SER A 85 1.594 6.934 -12.633 1.00 0.00 O ATOM 1268 CB SER A 85 3.250 9.314 -14.528 1.00 0.00 C ATOM 1269 OG SER A 85 3.253 8.309 -15.526 1.00 0.00 O ATOM 0 H SER A 85 3.850 6.728 -13.142 1.00 0.00 H new ATOM 0 HA SER A 85 3.305 9.482 -12.386 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.415 9.995 -14.696 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.163 9.905 -14.600 1.00 0.00 H new ATOM 0 HG SER A 85 3.321 8.726 -16.410 1.00 0.00 H new ATOM 1275 N ASP A 86 0.733 8.964 -13.076 1.00 0.00 N ATOM 1276 CA ASP A 86 -0.651 8.535 -12.908 1.00 0.00 C ATOM 1277 C ASP A 86 -0.972 7.364 -13.830 1.00 0.00 C ATOM 1278 O ASP A 86 -1.770 6.492 -13.486 1.00 0.00 O ATOM 1279 CB ASP A 86 -1.605 9.697 -13.187 1.00 0.00 C ATOM 1280 CG ASP A 86 -1.093 11.013 -12.636 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -0.946 11.122 -11.400 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -0.837 11.934 -13.439 1.00 0.00 O ATOM 0 H ASP A 86 0.843 9.949 -13.315 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.782 8.208 -11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.754 9.790 -14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.578 9.477 -12.748 1.00 0.00 H new ATOM 1287 N GLU A 87 -0.347 7.351 -15.003 1.00 0.00 N ATOM 1288 CA GLU A 87 -0.569 6.287 -15.975 1.00 0.00 C ATOM 1289 C GLU A 87 -0.464 4.916 -15.314 1.00 0.00 C ATOM 1290 O GLU A 87 -1.113 3.959 -15.737 1.00 0.00 O ATOM 1291 CB GLU A 87 0.442 6.393 -17.119 1.00 0.00 C ATOM 1292 CG GLU A 87 0.486 5.161 -18.008 1.00 0.00 C ATOM 1293 CD GLU A 87 1.558 5.250 -19.076 1.00 0.00 C ATOM 1294 OE1 GLU A 87 1.464 6.150 -19.937 1.00 0.00 O ATOM 1295 OE2 GLU A 87 2.491 4.421 -19.052 1.00 0.00 O ATOM 0 H GLU A 87 0.317 8.065 -15.303 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.576 6.401 -16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.198 7.263 -17.729 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.434 6.565 -16.701 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.664 4.279 -17.392 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.485 5.026 -18.484 1.00 0.00 H new ATOM 1302 N ASP A 88 0.359 4.828 -14.275 1.00 0.00 N ATOM 1303 CA ASP A 88 0.550 3.575 -13.554 1.00 0.00 C ATOM 1304 C ASP A 88 -0.611 3.314 -12.600 1.00 0.00 C ATOM 1305 O ASP A 88 -1.016 2.169 -12.396 1.00 0.00 O ATOM 1306 CB ASP A 88 1.868 3.604 -12.778 1.00 0.00 C ATOM 1307 CG ASP A 88 3.074 3.420 -13.678 1.00 0.00 C ATOM 1308 OD1 ASP A 88 3.261 2.301 -14.199 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.830 4.396 -13.861 1.00 0.00 O ATOM 0 H ASP A 88 0.905 5.610 -13.913 1.00 0.00 H new ATOM 0 HA ASP A 88 0.585 2.766 -14.284 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.954 4.553 -12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.859 2.818 -12.023 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.142 4.383 -12.017 1.00 0.00 N ATOM 1315 CA LEU A 89 -2.257 4.271 -11.083 1.00 0.00 C ATOM 1316 C LEU A 89 -3.483 3.676 -11.767 1.00 0.00 C ATOM 1317 O LEU A 89 -4.181 2.839 -11.194 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.600 5.643 -10.500 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.534 6.278 -9.607 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.774 7.774 -9.471 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.518 5.612 -8.239 1.00 0.00 C ATOM 0 H LEU A 89 -0.818 5.337 -12.175 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.956 3.605 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.807 6.325 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.520 5.551 -9.924 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.560 6.128 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.006 8.209 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.734 8.240 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.755 7.946 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.753 6.077 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.492 5.730 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.297 4.551 -8.354 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.738 4.111 -12.997 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.880 3.621 -13.760 1.00 0.00 C ATOM 1335 C ARG A 90 -4.498 2.391 -14.578 1.00 0.00 C ATOM 1336 O ARG A 90 -5.326 1.514 -14.823 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.411 4.717 -14.685 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.439 5.110 -15.785 1.00 0.00 C ATOM 1339 CD ARG A 90 -4.637 4.262 -17.032 1.00 0.00 C ATOM 1340 NE ARG A 90 -3.750 4.671 -18.118 1.00 0.00 N ATOM 1341 CZ ARG A 90 -3.918 5.783 -18.825 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -4.934 6.593 -18.561 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -3.069 6.086 -19.798 1.00 0.00 N ATOM 0 H ARG A 90 -3.169 4.802 -13.486 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.663 3.340 -13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.342 4.378 -15.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.649 5.599 -14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.575 6.162 -16.034 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.416 4.997 -15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.456 3.215 -16.791 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.673 4.338 -17.362 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.958 4.070 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.589 6.363 -17.814 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.061 7.446 -19.105 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.286 5.465 -20.004 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.199 6.940 -20.340 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.238 2.333 -14.998 1.00 0.00 N ATOM 1358 CA GLY A 91 -2.769 1.208 -15.785 1.00 0.00 C ATOM 1359 C GLY A 91 -3.314 -0.116 -15.286 1.00 0.00 C ATOM 1360 O GLY A 91 -3.521 -0.314 -14.089 1.00 0.00 O ATOM 0 H GLY A 91 -2.534 3.045 -14.807 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.062 1.349 -16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.680 1.181 -15.761 1.00 0.00 H new ATOM 1364 N PRO A 92 -3.557 -1.050 -16.218 1.00 0.00 N ATOM 1365 CA PRO A 92 -4.085 -2.377 -15.889 1.00 0.00 C ATOM 1366 C PRO A 92 -3.068 -3.239 -15.149 1.00 0.00 C ATOM 1367 O PRO A 92 -1.912 -3.341 -15.557 1.00 0.00 O ATOM 1368 CB PRO A 92 -4.402 -2.981 -17.260 1.00 0.00 C ATOM 1369 CG PRO A 92 -3.492 -2.276 -18.205 1.00 0.00 C ATOM 1370 CD PRO A 92 -3.333 -0.882 -17.663 1.00 0.00 C ATOM 0 HA PRO A 92 -4.946 -2.320 -15.223 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.226 -4.057 -17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.447 -2.827 -17.528 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.529 -2.782 -18.270 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.911 -2.258 -19.211 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.341 -0.480 -17.872 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.055 -0.195 -18.104 1.00 0.00 H new ATOM 1378 N GLY A 93 -3.508 -3.859 -14.058 1.00 0.00 N ATOM 1379 CA GLY A 93 -2.623 -4.705 -13.279 1.00 0.00 C ATOM 1380 C GLY A 93 -2.678 -6.157 -13.712 1.00 0.00 C ATOM 1381 O GLY A 93 -2.951 -7.043 -12.902 1.00 0.00 O ATOM 0 H GLY A 93 -4.461 -3.790 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.600 -4.340 -13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.891 -4.633 -12.225 1.00 0.00 H new ATOM 1385 N SER A 94 -2.421 -6.401 -14.993 1.00 0.00 N ATOM 1386 CA SER A 94 -2.449 -7.755 -15.534 1.00 0.00 C ATOM 1387 C SER A 94 -3.617 -8.547 -14.955 1.00 0.00 C ATOM 1388 O SER A 94 -3.452 -9.682 -14.510 1.00 0.00 O ATOM 1389 CB SER A 94 -1.132 -8.473 -15.233 1.00 0.00 C ATOM 1390 OG SER A 94 -0.115 -8.075 -16.137 1.00 0.00 O ATOM 0 H SER A 94 -2.191 -5.679 -15.676 1.00 0.00 H new ATOM 0 HA SER A 94 -2.579 -7.686 -16.614 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.821 -8.255 -14.212 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.279 -9.551 -15.298 1.00 0.00 H new ATOM 0 HG SER A 94 0.717 -8.547 -15.922 1.00 0.00 H new ATOM 1396 N GLY A 95 -4.799 -7.939 -14.966 1.00 0.00 N ATOM 1397 CA GLY A 95 -5.979 -8.601 -14.440 1.00 0.00 C ATOM 1398 C GLY A 95 -6.464 -9.722 -15.338 1.00 0.00 C ATOM 1399 O GLY A 95 -6.322 -9.672 -16.560 1.00 0.00 O ATOM 0 H GLY A 95 -4.961 -7.000 -15.330 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.756 -9.002 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.777 -7.869 -14.315 1.00 0.00 H new ATOM 1403 N PRO A 96 -7.050 -10.763 -14.729 1.00 0.00 N ATOM 1404 CA PRO A 96 -7.568 -11.921 -15.463 1.00 0.00 C ATOM 1405 C PRO A 96 -8.806 -11.580 -16.285 1.00 0.00 C ATOM 1406 O PRO A 96 -9.899 -11.422 -15.742 1.00 0.00 O ATOM 1407 CB PRO A 96 -7.920 -12.916 -14.353 1.00 0.00 C ATOM 1408 CG PRO A 96 -8.175 -12.070 -13.154 1.00 0.00 C ATOM 1409 CD PRO A 96 -7.252 -10.889 -13.275 1.00 0.00 C ATOM 0 HA PRO A 96 -6.845 -12.303 -16.184 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.798 -13.507 -14.615 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.104 -13.617 -14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.216 -11.749 -13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.980 -12.625 -12.236 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.695 -9.988 -12.851 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.311 -11.059 -12.752 1.00 0.00 H new ATOM 1417 N SER A 97 -8.627 -11.468 -17.597 1.00 0.00 N ATOM 1418 CA SER A 97 -9.729 -11.142 -18.494 1.00 0.00 C ATOM 1419 C SER A 97 -10.558 -12.384 -18.810 1.00 0.00 C ATOM 1420 O SER A 97 -10.305 -13.077 -19.795 1.00 0.00 O ATOM 1421 CB SER A 97 -9.196 -10.527 -19.790 1.00 0.00 C ATOM 1422 OG SER A 97 -8.584 -9.273 -19.545 1.00 0.00 O ATOM 0 H SER A 97 -7.729 -11.598 -18.063 1.00 0.00 H new ATOM 0 HA SER A 97 -10.370 -10.416 -17.993 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.475 -11.204 -20.248 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.013 -10.404 -20.501 1.00 0.00 H new ATOM 0 HG SER A 97 -8.250 -8.902 -20.388 1.00 0.00 H new ATOM 1428 N SER A 98 -11.548 -12.657 -17.967 1.00 0.00 N ATOM 1429 CA SER A 98 -12.412 -13.817 -18.153 1.00 0.00 C ATOM 1430 C SER A 98 -13.874 -13.394 -18.261 1.00 0.00 C ATOM 1431 O SER A 98 -14.482 -12.967 -17.280 1.00 0.00 O ATOM 1432 CB SER A 98 -12.238 -14.800 -16.994 1.00 0.00 C ATOM 1433 OG SER A 98 -12.535 -16.125 -17.400 1.00 0.00 O ATOM 0 H SER A 98 -11.772 -12.091 -17.149 1.00 0.00 H new ATOM 0 HA SER A 98 -12.124 -14.308 -19.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.215 -14.751 -16.622 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.891 -14.514 -16.169 1.00 0.00 H new ATOM 0 HG SER A 98 -12.415 -16.734 -16.642 1.00 0.00 H new ATOM 1439 N GLY A 99 -14.432 -13.515 -19.462 1.00 0.00 N ATOM 1440 CA GLY A 99 -15.817 -13.141 -19.677 1.00 0.00 C ATOM 1441 C GLY A 99 -16.572 -14.163 -20.503 1.00 0.00 C ATOM 1442 O GLY A 99 -17.582 -13.842 -21.129 1.00 0.00 O ATOM 0 H GLY A 99 -13.949 -13.865 -20.289 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.311 -13.021 -18.713 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.855 -12.174 -20.178 1.00 0.00 H new TER 1446 GLY A 99