USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 Single : A 6 SER OG : rot 28:sc= 0.229 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 3:sc= -0.304 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.0219 X(o=0.022,f=-0.44) USER MOD Single : A 25 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.69) USER MOD Single : A 27 ASN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.0084) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.91! K(o=-3.9!,f=-1.6) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.61 K(o=-1.6,f=-15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0785 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc=-0.00283 (180deg=-0.0458) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.182 6.284 5.756 1.00 0.00 N ATOM 49 CA SER A 6 -9.859 6.790 5.433 1.00 0.00 C ATOM 50 C SER A 6 -9.749 7.042 3.928 1.00 0.00 C ATOM 51 O SER A 6 -9.416 8.148 3.503 1.00 0.00 O ATOM 52 CB SER A 6 -8.770 5.816 5.888 1.00 0.00 C ATOM 53 OG SER A 6 -9.017 5.315 7.199 1.00 0.00 O ATOM 0 HA SER A 6 -9.713 7.730 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.712 4.984 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.803 6.318 5.868 1.00 0.00 H new ATOM 0 HG SER A 6 -9.981 5.321 7.375 1.00 0.00 H new ATOM 59 N GLY A 7 -10.034 5.999 3.162 1.00 0.00 N ATOM 60 CA GLY A 7 -9.971 6.094 1.714 1.00 0.00 C ATOM 61 C GLY A 7 -10.831 7.252 1.202 1.00 0.00 C ATOM 62 O GLY A 7 -10.436 7.962 0.279 1.00 0.00 O ATOM 0 H GLY A 7 -10.309 5.083 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.937 6.238 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.312 5.159 1.270 1.00 0.00 H new ATOM 66 N ALA A 8 -11.990 7.406 1.825 1.00 0.00 N ATOM 67 CA ALA A 8 -12.908 8.466 1.445 1.00 0.00 C ATOM 68 C ALA A 8 -12.370 9.807 1.949 1.00 0.00 C ATOM 69 O ALA A 8 -12.685 10.856 1.389 1.00 0.00 O ATOM 70 CB ALA A 8 -14.303 8.154 1.992 1.00 0.00 C ATOM 0 H ALA A 8 -12.314 6.815 2.590 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.990 8.531 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.992 8.949 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.652 7.207 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.260 8.083 3.079 1.00 0.00 H new ATOM 76 N SER A 9 -11.569 9.728 3.001 1.00 0.00 N ATOM 77 CA SER A 9 -10.984 10.923 3.587 1.00 0.00 C ATOM 78 C SER A 9 -9.742 11.339 2.797 1.00 0.00 C ATOM 79 O SER A 9 -9.426 12.524 2.709 1.00 0.00 O ATOM 80 CB SER A 9 -10.627 10.697 5.057 1.00 0.00 C ATOM 81 OG SER A 9 -11.732 10.192 5.803 1.00 0.00 O ATOM 0 H SER A 9 -11.311 8.856 3.463 1.00 0.00 H new ATOM 0 HA SER A 9 -11.722 11.724 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.794 9.997 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.291 11.636 5.497 1.00 0.00 H new ATOM 0 HG SER A 9 -11.463 10.059 6.736 1.00 0.00 H new ATOM 87 N LEU A 10 -9.070 10.340 2.242 1.00 0.00 N ATOM 88 CA LEU A 10 -7.869 10.588 1.463 1.00 0.00 C ATOM 89 C LEU A 10 -8.159 11.665 0.415 1.00 0.00 C ATOM 90 O LEU A 10 -7.247 12.350 -0.045 1.00 0.00 O ATOM 91 CB LEU A 10 -7.336 9.282 0.871 1.00 0.00 C ATOM 92 CG LEU A 10 -6.674 8.319 1.858 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.298 7.003 1.173 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.471 8.974 2.540 1.00 0.00 C ATOM 0 H LEU A 10 -9.335 9.358 2.317 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.073 10.970 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.162 8.762 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.613 9.527 0.093 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.397 8.080 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.829 6.337 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.196 6.531 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.601 7.203 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.019 8.268 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.737 9.261 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.799 9.860 3.083 1.00 0.00 H new ATOM 106 N LEU A 11 -9.433 11.780 0.069 1.00 0.00 N ATOM 107 CA LEU A 11 -9.854 12.762 -0.916 1.00 0.00 C ATOM 108 C LEU A 11 -9.770 14.161 -0.303 1.00 0.00 C ATOM 109 O LEU A 11 -9.458 15.129 -0.996 1.00 0.00 O ATOM 110 CB LEU A 11 -11.240 12.412 -1.462 1.00 0.00 C ATOM 111 CG LEU A 11 -11.340 11.105 -2.250 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.636 10.362 -1.919 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.192 11.357 -3.752 1.00 0.00 C ATOM 0 H LEU A 11 -10.187 11.210 0.453 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.185 12.750 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.937 12.363 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.572 13.227 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.514 10.461 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.682 9.436 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.661 10.130 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.490 10.989 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.267 10.411 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.982 12.028 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.221 11.811 -3.951 1.00 0.00 H new ATOM 125 N ALA A 12 -10.054 14.224 0.990 1.00 0.00 N ATOM 126 CA ALA A 12 -10.015 15.489 1.704 1.00 0.00 C ATOM 127 C ALA A 12 -8.611 15.705 2.273 1.00 0.00 C ATOM 128 O ALA A 12 -8.094 16.821 2.253 1.00 0.00 O ATOM 129 CB ALA A 12 -11.092 15.496 2.791 1.00 0.00 C ATOM 0 H ALA A 12 -10.312 13.419 1.561 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.229 16.317 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.062 16.445 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.073 15.368 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.909 14.680 3.490 1.00 0.00 H new ATOM 135 N ARG A 13 -8.034 14.619 2.767 1.00 0.00 N ATOM 136 CA ARG A 13 -6.700 14.676 3.340 1.00 0.00 C ATOM 137 C ARG A 13 -5.690 15.143 2.290 1.00 0.00 C ATOM 138 O ARG A 13 -4.983 16.127 2.498 1.00 0.00 O ATOM 139 CB ARG A 13 -6.273 13.308 3.876 1.00 0.00 C ATOM 140 CG ARG A 13 -6.359 13.266 5.403 1.00 0.00 C ATOM 141 CD ARG A 13 -4.964 13.300 6.032 1.00 0.00 C ATOM 142 NE ARG A 13 -5.074 13.482 7.497 1.00 0.00 N ATOM 143 CZ ARG A 13 -4.039 13.768 8.298 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.810 13.906 7.781 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.232 13.915 9.615 1.00 0.00 N ATOM 0 H ARG A 13 -8.466 13.695 2.782 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.724 15.387 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.910 12.532 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.253 13.092 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.944 14.113 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.881 12.362 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.434 12.374 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.380 14.112 5.599 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.995 13.383 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.663 13.793 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.022 14.124 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.167 13.809 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.444 14.133 10.225 1.00 0.00 H new ATOM 159 N TYR A 14 -5.655 14.414 1.184 1.00 0.00 N ATOM 160 CA TYR A 14 -4.743 14.741 0.101 1.00 0.00 C ATOM 161 C TYR A 14 -5.501 15.309 -1.101 1.00 0.00 C ATOM 162 O TYR A 14 -6.711 15.123 -1.220 1.00 0.00 O ATOM 163 CB TYR A 14 -4.080 13.424 -0.305 1.00 0.00 C ATOM 164 CG TYR A 14 -3.210 12.802 0.789 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.784 11.997 1.753 1.00 0.00 C ATOM 166 CD2 TYR A 14 -1.852 13.046 0.813 1.00 0.00 C ATOM 167 CE1 TYR A 14 -2.965 11.412 2.782 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.033 12.460 1.843 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.630 11.672 2.777 1.00 0.00 C ATOM 170 OH TYR A 14 -0.857 11.119 3.749 1.00 0.00 O ATOM 0 H TYR A 14 -6.243 13.598 1.015 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.020 15.491 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.855 12.711 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.466 13.596 -1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.847 11.806 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.403 13.676 0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.401 10.780 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.031 12.642 1.873 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.409 10.543 4.318 1.00 0.00 H new ATOM 180 N PRO A 15 -4.738 16.007 -1.985 1.00 0.00 N ATOM 181 CA PRO A 15 -5.325 16.602 -3.173 1.00 0.00 C ATOM 182 C PRO A 15 -5.631 15.536 -4.227 1.00 0.00 C ATOM 183 O PRO A 15 -5.227 14.383 -4.084 1.00 0.00 O ATOM 184 CB PRO A 15 -4.306 17.627 -3.643 1.00 0.00 C ATOM 185 CG PRO A 15 -2.993 17.244 -2.980 1.00 0.00 C ATOM 186 CD PRO A 15 -3.302 16.246 -1.876 1.00 0.00 C ATOM 0 HA PRO A 15 -6.286 17.077 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.213 17.616 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.607 18.635 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.310 16.807 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.501 18.126 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.736 15.324 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.040 16.645 -0.896 1.00 0.00 H new ATOM 194 N PRO A 16 -6.360 15.970 -5.289 1.00 0.00 N ATOM 195 CA PRO A 16 -6.725 15.066 -6.366 1.00 0.00 C ATOM 196 C PRO A 16 -5.523 14.774 -7.267 1.00 0.00 C ATOM 197 O PRO A 16 -5.408 13.680 -7.820 1.00 0.00 O ATOM 198 CB PRO A 16 -7.860 15.764 -7.098 1.00 0.00 C ATOM 199 CG PRO A 16 -7.778 17.227 -6.695 1.00 0.00 C ATOM 200 CD PRO A 16 -6.855 17.329 -5.492 1.00 0.00 C ATOM 0 HA PRO A 16 -7.044 14.088 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.757 15.650 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.824 15.336 -6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.397 17.829 -7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.768 17.611 -6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.037 18.025 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.388 17.692 -4.613 1.00 0.00 H new ATOM 208 N GLU A 17 -4.658 15.770 -7.387 1.00 0.00 N ATOM 209 CA GLU A 17 -3.469 15.633 -8.212 1.00 0.00 C ATOM 210 C GLU A 17 -2.446 14.729 -7.521 1.00 0.00 C ATOM 211 O GLU A 17 -1.395 14.430 -8.087 1.00 0.00 O ATOM 212 CB GLU A 17 -2.864 17.001 -8.533 1.00 0.00 C ATOM 213 CG GLU A 17 -2.244 17.633 -7.285 1.00 0.00 C ATOM 214 CD GLU A 17 -2.345 19.159 -7.335 1.00 0.00 C ATOM 215 OE1 GLU A 17 -3.363 19.643 -7.873 1.00 0.00 O ATOM 216 OE2 GLU A 17 -1.400 19.807 -6.833 1.00 0.00 O ATOM 0 H GLU A 17 -4.756 16.675 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.756 15.169 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.104 16.894 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.635 17.659 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.750 17.260 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.198 17.337 -7.204 1.00 0.00 H new ATOM 223 N LYS A 18 -2.788 14.320 -6.309 1.00 0.00 N ATOM 224 CA LYS A 18 -1.912 13.456 -5.535 1.00 0.00 C ATOM 225 C LYS A 18 -2.698 12.231 -5.064 1.00 0.00 C ATOM 226 O LYS A 18 -2.207 11.451 -4.249 1.00 0.00 O ATOM 227 CB LYS A 18 -1.254 14.240 -4.398 1.00 0.00 C ATOM 228 CG LYS A 18 -0.534 15.480 -4.932 1.00 0.00 C ATOM 229 CD LYS A 18 0.328 16.124 -3.844 1.00 0.00 C ATOM 230 CE LYS A 18 1.543 16.828 -4.452 1.00 0.00 C ATOM 231 NZ LYS A 18 2.797 16.260 -3.909 1.00 0.00 N ATOM 0 H LYS A 18 -3.660 14.571 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.093 13.091 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.010 14.539 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.544 13.600 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.092 15.204 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.266 16.201 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.268 16.842 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.660 15.362 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.528 16.720 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.497 17.896 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.611 16.749 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.816 16.385 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.846 15.246 -4.136 1.00 0.00 H new ATOM 245 N LEU A 19 -3.904 12.100 -5.596 1.00 0.00 N ATOM 246 CA LEU A 19 -4.762 10.983 -5.239 1.00 0.00 C ATOM 247 C LEU A 19 -4.497 9.817 -6.194 1.00 0.00 C ATOM 248 O LEU A 19 -4.823 9.894 -7.378 1.00 0.00 O ATOM 249 CB LEU A 19 -6.226 11.424 -5.199 1.00 0.00 C ATOM 250 CG LEU A 19 -6.801 11.715 -3.811 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.289 12.060 -3.894 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.534 10.553 -2.852 1.00 0.00 C ATOM 0 H LEU A 19 -4.308 12.749 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.531 10.631 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.332 12.321 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.832 10.647 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.291 12.589 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.672 12.262 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.424 12.943 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.833 11.221 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.953 10.786 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.999 9.647 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.459 10.398 -2.759 1.00 0.00 H new ATOM 264 N PHE A 20 -3.909 8.765 -5.644 1.00 0.00 N ATOM 265 CA PHE A 20 -3.597 7.585 -6.432 1.00 0.00 C ATOM 266 C PHE A 20 -4.132 6.319 -5.759 1.00 0.00 C ATOM 267 O PHE A 20 -4.097 6.201 -4.535 1.00 0.00 O ATOM 268 CB PHE A 20 -2.073 7.497 -6.521 1.00 0.00 C ATOM 269 CG PHE A 20 -1.448 8.488 -7.504 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.286 8.141 -8.809 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.054 9.717 -7.074 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.706 9.061 -9.722 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.474 10.637 -7.987 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.312 10.289 -9.292 1.00 0.00 C ATOM 0 H PHE A 20 -3.640 8.705 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.058 7.662 -7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.651 7.669 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.795 6.485 -6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.599 7.165 -9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.182 9.993 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.578 8.785 -10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.162 11.613 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.130 10.988 -9.987 1.00 0.00 H new ATOM 284 N GLN A 21 -4.614 5.405 -6.588 1.00 0.00 N ATOM 285 CA GLN A 21 -5.155 4.152 -6.089 1.00 0.00 C ATOM 286 C GLN A 21 -4.159 3.014 -6.320 1.00 0.00 C ATOM 287 O GLN A 21 -3.175 3.182 -7.040 1.00 0.00 O ATOM 288 CB GLN A 21 -6.504 3.840 -6.738 1.00 0.00 C ATOM 289 CG GLN A 21 -7.419 3.089 -5.769 1.00 0.00 C ATOM 290 CD GLN A 21 -8.878 3.163 -6.222 1.00 0.00 C ATOM 291 OE1 GLN A 21 -9.184 3.325 -7.392 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.759 3.036 -5.234 1.00 0.00 N ATOM 0 H GLN A 21 -4.641 5.507 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.320 4.252 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.984 4.767 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.350 3.241 -7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.108 2.047 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.323 3.514 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.435 2.903 -4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.759 3.072 -5.434 1.00 0.00 H new ATOM 301 N ALA A 22 -4.447 1.882 -5.695 1.00 0.00 N ATOM 302 CA ALA A 22 -3.589 0.717 -5.824 1.00 0.00 C ATOM 303 C ALA A 22 -3.945 -0.034 -7.109 1.00 0.00 C ATOM 304 O ALA A 22 -5.013 -0.636 -7.204 1.00 0.00 O ATOM 305 CB ALA A 22 -3.729 -0.161 -4.578 1.00 0.00 C ATOM 0 H ALA A 22 -5.263 1.747 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.544 1.017 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.085 -1.035 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.437 0.409 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.765 -0.483 -4.474 1.00 0.00 H new ATOM 311 N GLU A 23 -3.029 0.026 -8.064 1.00 0.00 N ATOM 312 CA GLU A 23 -3.233 -0.640 -9.339 1.00 0.00 C ATOM 313 C GLU A 23 -3.528 -2.126 -9.120 1.00 0.00 C ATOM 314 O GLU A 23 -4.469 -2.667 -9.699 1.00 0.00 O ATOM 315 CB GLU A 23 -2.023 -0.451 -10.256 1.00 0.00 C ATOM 316 CG GLU A 23 -2.011 0.952 -10.866 1.00 0.00 C ATOM 317 CD GLU A 23 -2.335 0.904 -12.360 1.00 0.00 C ATOM 318 OE1 GLU A 23 -3.367 0.284 -12.697 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.543 1.487 -13.132 1.00 0.00 O ATOM 0 H GLU A 23 -2.144 0.526 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.094 -0.187 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.105 -0.614 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.044 -1.197 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.738 1.582 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.033 1.409 -10.717 1.00 0.00 H new ATOM 326 N ARG A 24 -2.707 -2.742 -8.283 1.00 0.00 N ATOM 327 CA ARG A 24 -2.869 -4.154 -7.981 1.00 0.00 C ATOM 328 C ARG A 24 -2.461 -4.437 -6.534 1.00 0.00 C ATOM 329 O ARG A 24 -1.888 -3.577 -5.867 1.00 0.00 O ATOM 330 CB ARG A 24 -2.025 -5.019 -8.920 1.00 0.00 C ATOM 331 CG ARG A 24 -0.587 -4.502 -8.996 1.00 0.00 C ATOM 332 CD ARG A 24 0.373 -5.614 -9.425 1.00 0.00 C ATOM 333 NE ARG A 24 1.393 -5.073 -10.351 1.00 0.00 N ATOM 334 CZ ARG A 24 1.161 -4.784 -11.639 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.057 -4.983 -12.161 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.147 -4.296 -12.404 1.00 0.00 N ATOM 0 H ARG A 24 -1.928 -2.290 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.920 -4.405 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.026 -6.051 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.468 -5.020 -9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.531 -3.675 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.285 -4.111 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.857 -6.045 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.181 -6.417 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 24 2.331 -4.910 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.807 -5.354 -11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.234 -4.763 -13.141 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.074 -4.145 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.971 -4.076 -13.384 1.00 0.00 H new ATOM 350 N ASN A 25 -2.772 -5.646 -6.090 1.00 0.00 N ATOM 351 CA ASN A 25 -2.445 -6.053 -4.734 1.00 0.00 C ATOM 352 C ASN A 25 -0.926 -6.022 -4.549 1.00 0.00 C ATOM 353 O ASN A 25 -0.242 -7.002 -4.841 1.00 0.00 O ATOM 354 CB ASN A 25 -2.926 -7.479 -4.456 1.00 0.00 C ATOM 355 CG ASN A 25 -4.325 -7.707 -5.031 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.513 -8.397 -6.019 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.293 -7.091 -4.358 1.00 0.00 N ATOM 0 H ASN A 25 -3.247 -6.357 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.938 -5.365 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.228 -8.194 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.937 -7.660 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.263 -7.182 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.066 -6.528 -3.538 1.00 0.00 H new ATOM 364 N PHE A 26 -0.444 -4.887 -4.066 1.00 0.00 N ATOM 365 CA PHE A 26 0.981 -4.716 -3.838 1.00 0.00 C ATOM 366 C PHE A 26 1.427 -5.452 -2.574 1.00 0.00 C ATOM 367 O PHE A 26 0.728 -5.436 -1.562 1.00 0.00 O ATOM 368 CB PHE A 26 1.227 -3.217 -3.655 1.00 0.00 C ATOM 369 CG PHE A 26 2.675 -2.862 -3.309 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.146 -3.076 -2.051 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.491 -2.332 -4.260 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.489 -2.747 -1.730 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.834 -2.003 -3.939 1.00 0.00 C ATOM 374 CZ PHE A 26 5.305 -2.217 -2.681 1.00 0.00 C ATOM 0 H PHE A 26 -1.015 -4.076 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 26 1.544 -5.122 -4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.946 -2.698 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.574 -2.846 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.498 -3.496 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.117 -2.162 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.863 -2.917 -0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.482 -1.583 -4.694 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.327 -1.966 -2.437 1.00 0.00 H new ATOM 384 N ASN A 27 2.589 -6.081 -2.673 1.00 0.00 N ATOM 385 CA ASN A 27 3.137 -6.823 -1.550 1.00 0.00 C ATOM 386 C ASN A 27 4.441 -6.164 -1.097 1.00 0.00 C ATOM 387 O ASN A 27 5.321 -5.894 -1.913 1.00 0.00 O ATOM 388 CB ASN A 27 3.449 -8.268 -1.943 1.00 0.00 C ATOM 389 CG ASN A 27 3.134 -9.229 -0.795 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.772 -9.225 0.245 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.117 -10.050 -1.041 1.00 0.00 N ATOM 0 H ASN A 27 3.166 -6.092 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 27 2.396 -6.819 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.867 -8.543 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.500 -8.355 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.828 -10.729 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.626 -10.000 -1.933 1.00 0.00 H new ATOM 398 N ALA A 28 4.524 -5.923 0.204 1.00 0.00 N ATOM 399 CA ALA A 28 5.707 -5.300 0.775 1.00 0.00 C ATOM 400 C ALA A 28 6.917 -6.206 0.543 1.00 0.00 C ATOM 401 O ALA A 28 6.905 -7.376 0.925 1.00 0.00 O ATOM 402 CB ALA A 28 5.467 -5.016 2.259 1.00 0.00 C ATOM 0 H ALA A 28 3.792 -6.148 0.878 1.00 0.00 H new ATOM 0 HA ALA A 28 5.912 -4.346 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.353 -4.549 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.615 -4.345 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.262 -5.951 2.780 1.00 0.00 H new ATOM 408 N ALA A 29 7.935 -5.632 -0.082 1.00 0.00 N ATOM 409 CA ALA A 29 9.151 -6.374 -0.370 1.00 0.00 C ATOM 410 C ALA A 29 10.262 -5.907 0.573 1.00 0.00 C ATOM 411 O ALA A 29 10.997 -6.725 1.124 1.00 0.00 O ATOM 412 CB ALA A 29 9.523 -6.193 -1.843 1.00 0.00 C ATOM 0 H ALA A 29 7.943 -4.662 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 29 9.000 -7.440 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.435 -6.749 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.714 -6.565 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.686 -5.135 -2.050 1.00 0.00 H new ATOM 418 N GLN A 30 10.350 -4.595 0.729 1.00 0.00 N ATOM 419 CA GLN A 30 11.359 -4.010 1.596 1.00 0.00 C ATOM 420 C GLN A 30 10.766 -3.709 2.973 1.00 0.00 C ATOM 421 O GLN A 30 9.601 -4.008 3.230 1.00 0.00 O ATOM 422 CB GLN A 30 11.956 -2.749 0.969 1.00 0.00 C ATOM 423 CG GLN A 30 13.114 -3.098 0.032 1.00 0.00 C ATOM 424 CD GLN A 30 13.429 -1.932 -0.909 1.00 0.00 C ATOM 425 OE1 GLN A 30 14.512 -1.369 -0.900 1.00 0.00 O ATOM 426 NE2 GLN A 30 12.426 -1.603 -1.717 1.00 0.00 N ATOM 0 H GLN A 30 9.739 -3.920 0.270 1.00 0.00 H new ATOM 0 HA GLN A 30 12.166 -4.732 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.185 -2.213 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.308 -2.080 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.999 -3.346 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.860 -3.983 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.546 -2.116 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.537 -0.837 -2.382 1.00 0.00 H new ATOM 435 N ASP A 31 11.595 -3.121 3.824 1.00 0.00 N ATOM 436 CA ASP A 31 11.166 -2.776 5.169 1.00 0.00 C ATOM 437 C ASP A 31 10.368 -1.472 5.127 1.00 0.00 C ATOM 438 O ASP A 31 9.646 -1.151 6.070 1.00 0.00 O ATOM 439 CB ASP A 31 12.368 -2.565 6.092 1.00 0.00 C ATOM 440 CG ASP A 31 12.876 -3.827 6.791 1.00 0.00 C ATOM 441 OD1 ASP A 31 12.325 -4.140 7.869 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.803 -4.452 6.232 1.00 0.00 O ATOM 0 H ASP A 31 12.561 -2.875 3.608 1.00 0.00 H new ATOM 0 HA ASP A 31 10.557 -3.596 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.184 -2.137 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.099 -1.830 6.851 1.00 0.00 H new ATOM 447 N LEU A 32 10.524 -0.755 4.023 1.00 0.00 N ATOM 448 CA LEU A 32 9.826 0.507 3.846 1.00 0.00 C ATOM 449 C LEU A 32 8.515 0.259 3.098 1.00 0.00 C ATOM 450 O LEU A 32 7.555 1.014 3.253 1.00 0.00 O ATOM 451 CB LEU A 32 10.737 1.532 3.167 1.00 0.00 C ATOM 452 CG LEU A 32 11.953 1.989 3.976 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.835 2.931 3.155 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.524 2.616 5.304 1.00 0.00 C ATOM 0 H LEU A 32 11.123 -1.024 3.243 1.00 0.00 H new ATOM 0 HA LEU A 32 9.565 0.937 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.090 1.108 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.141 2.410 2.918 1.00 0.00 H new ATOM 0 HG LEU A 32 12.554 1.112 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.692 3.241 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.184 2.415 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.258 3.809 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.407 2.932 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.889 3.480 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.970 1.883 5.890 1.00 0.00 H new ATOM 466 N ASP A 33 8.515 -0.800 2.302 1.00 0.00 N ATOM 467 CA ASP A 33 7.337 -1.157 1.530 1.00 0.00 C ATOM 468 C ASP A 33 6.252 -1.677 2.474 1.00 0.00 C ATOM 469 O ASP A 33 6.551 -2.350 3.459 1.00 0.00 O ATOM 470 CB ASP A 33 7.654 -2.261 0.520 1.00 0.00 C ATOM 471 CG ASP A 33 8.673 -1.881 -0.556 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.193 -0.747 -0.469 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.909 -2.732 -1.440 1.00 0.00 O ATOM 0 H ASP A 33 9.313 -1.423 2.175 1.00 0.00 H new ATOM 0 HA ASP A 33 7.001 -0.267 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.027 -3.131 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.727 -2.562 0.031 1.00 0.00 H new ATOM 478 N VAL A 34 5.013 -1.345 2.141 1.00 0.00 N ATOM 479 CA VAL A 34 3.881 -1.770 2.947 1.00 0.00 C ATOM 480 C VAL A 34 2.808 -2.369 2.036 1.00 0.00 C ATOM 481 O VAL A 34 2.502 -1.813 0.982 1.00 0.00 O ATOM 482 CB VAL A 34 3.367 -0.599 3.787 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.529 0.204 4.376 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.440 0.299 2.965 1.00 0.00 C ATOM 0 H VAL A 34 4.768 -0.786 1.323 1.00 0.00 H new ATOM 0 HA VAL A 34 4.183 -2.548 3.649 1.00 0.00 H new ATOM 0 HB VAL A 34 2.789 -1.008 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.137 1.030 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.133 -0.443 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.146 0.598 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.088 1.124 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.984 0.696 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.586 -0.282 2.616 1.00 0.00 H new ATOM 494 N SER A 35 2.266 -3.495 2.475 1.00 0.00 N ATOM 495 CA SER A 35 1.233 -4.176 1.712 1.00 0.00 C ATOM 496 C SER A 35 0.068 -3.221 1.440 1.00 0.00 C ATOM 497 O SER A 35 -0.316 -2.442 2.311 1.00 0.00 O ATOM 498 CB SER A 35 0.737 -5.423 2.446 1.00 0.00 C ATOM 499 OG SER A 35 1.813 -6.225 2.923 1.00 0.00 O ATOM 0 H SER A 35 2.522 -3.953 3.349 1.00 0.00 H new ATOM 0 HA SER A 35 1.663 -4.494 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.108 -5.124 3.285 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.114 -6.014 1.775 1.00 0.00 H new ATOM 0 HG SER A 35 1.455 -7.010 3.387 1.00 0.00 H new ATOM 505 N LEU A 36 -0.460 -3.313 0.229 1.00 0.00 N ATOM 506 CA LEU A 36 -1.573 -2.467 -0.168 1.00 0.00 C ATOM 507 C LEU A 36 -2.596 -3.305 -0.937 1.00 0.00 C ATOM 508 O LEU A 36 -2.265 -4.368 -1.462 1.00 0.00 O ATOM 509 CB LEU A 36 -1.069 -1.248 -0.944 1.00 0.00 C ATOM 510 CG LEU A 36 -0.510 -0.100 -0.101 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.072 1.068 -0.987 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.515 0.335 0.967 1.00 0.00 C ATOM 0 H LEU A 36 -0.138 -3.960 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.081 -2.069 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.292 -1.577 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.890 -0.862 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 36 0.378 -0.459 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.321 1.870 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.702 0.731 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.927 1.435 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.093 1.152 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.434 0.670 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.735 -0.506 1.624 1.00 0.00 H new ATOM 524 N LEU A 37 -3.819 -2.796 -0.979 1.00 0.00 N ATOM 525 CA LEU A 37 -4.892 -3.485 -1.675 1.00 0.00 C ATOM 526 C LEU A 37 -5.327 -2.654 -2.884 1.00 0.00 C ATOM 527 O LEU A 37 -5.583 -1.458 -2.759 1.00 0.00 O ATOM 528 CB LEU A 37 -6.034 -3.810 -0.710 1.00 0.00 C ATOM 529 CG LEU A 37 -7.406 -4.040 -1.347 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.333 -5.117 -2.431 1.00 0.00 C ATOM 531 CD2 LEU A 37 -8.456 -4.368 -0.284 1.00 0.00 C ATOM 0 H LEU A 37 -4.090 -1.915 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.544 -4.445 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.763 -4.702 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.121 -2.994 0.007 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.717 -3.115 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.321 -5.261 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.635 -4.805 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.991 -6.054 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.422 -4.527 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.163 -5.272 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.532 -3.539 0.420 1.00 0.00 H new ATOM 543 N GLU A 38 -5.395 -3.321 -4.026 1.00 0.00 N ATOM 544 CA GLU A 38 -5.794 -2.659 -5.257 1.00 0.00 C ATOM 545 C GLU A 38 -6.937 -1.679 -4.986 1.00 0.00 C ATOM 546 O GLU A 38 -6.961 -0.580 -5.538 1.00 0.00 O ATOM 547 CB GLU A 38 -6.189 -3.680 -6.326 1.00 0.00 C ATOM 548 CG GLU A 38 -7.176 -4.706 -5.765 1.00 0.00 C ATOM 549 CD GLU A 38 -7.708 -5.618 -6.873 1.00 0.00 C ATOM 550 OE1 GLU A 38 -8.642 -5.173 -7.574 1.00 0.00 O ATOM 551 OE2 GLU A 38 -7.167 -6.738 -6.995 1.00 0.00 O ATOM 0 H GLU A 38 -5.181 -4.313 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.941 -2.096 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.637 -3.166 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.299 -4.190 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.686 -5.307 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.007 -4.191 -5.283 1.00 0.00 H new ATOM 558 N GLY A 39 -7.856 -2.112 -4.136 1.00 0.00 N ATOM 559 CA GLY A 39 -8.999 -1.286 -3.785 1.00 0.00 C ATOM 560 C GLY A 39 -8.576 -0.111 -2.901 1.00 0.00 C ATOM 561 O GLY A 39 -9.128 0.983 -3.009 1.00 0.00 O ATOM 0 H GLY A 39 -7.833 -3.024 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.473 -0.911 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.742 -1.889 -3.263 1.00 0.00 H new ATOM 565 N ASP A 40 -7.600 -0.378 -2.045 1.00 0.00 N ATOM 566 CA ASP A 40 -7.096 0.643 -1.143 1.00 0.00 C ATOM 567 C ASP A 40 -6.572 1.826 -1.959 1.00 0.00 C ATOM 568 O ASP A 40 -6.023 1.642 -3.044 1.00 0.00 O ATOM 569 CB ASP A 40 -5.942 0.107 -0.293 1.00 0.00 C ATOM 570 CG ASP A 40 -6.360 -0.789 0.874 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.584 -0.888 1.103 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.445 -1.354 1.511 1.00 0.00 O ATOM 0 H ASP A 40 -7.145 -1.287 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.914 0.948 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.266 -0.454 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.378 0.952 0.102 1.00 0.00 H new ATOM 577 N LEU A 41 -6.761 3.016 -1.406 1.00 0.00 N ATOM 578 CA LEU A 41 -6.315 4.229 -2.070 1.00 0.00 C ATOM 579 C LEU A 41 -5.254 4.916 -1.207 1.00 0.00 C ATOM 580 O LEU A 41 -5.250 4.768 0.014 1.00 0.00 O ATOM 581 CB LEU A 41 -7.508 5.125 -2.408 1.00 0.00 C ATOM 582 CG LEU A 41 -7.212 6.323 -3.312 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.634 6.039 -4.755 1.00 0.00 C ATOM 584 CD2 LEU A 41 -7.861 7.596 -2.765 1.00 0.00 C ATOM 0 H LEU A 41 -7.217 3.165 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.845 3.991 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.272 4.513 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.935 5.495 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.135 6.488 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.413 6.907 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.087 5.174 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.704 5.833 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.635 8.433 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.941 7.459 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.470 7.805 -1.769 1.00 0.00 H new ATOM 596 N VAL A 42 -4.380 5.654 -1.876 1.00 0.00 N ATOM 597 CA VAL A 42 -3.317 6.365 -1.186 1.00 0.00 C ATOM 598 C VAL A 42 -3.121 7.736 -1.836 1.00 0.00 C ATOM 599 O VAL A 42 -3.576 7.967 -2.955 1.00 0.00 O ATOM 600 CB VAL A 42 -2.042 5.519 -1.178 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.302 4.142 -0.565 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.460 5.392 -2.587 1.00 0.00 C ATOM 0 H VAL A 42 -4.386 5.775 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.585 6.535 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.305 6.028 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.380 3.561 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.649 4.260 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.063 3.622 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.555 4.786 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.191 4.916 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.219 6.383 -2.972 1.00 0.00 H new ATOM 612 N GLY A 43 -2.443 8.610 -1.106 1.00 0.00 N ATOM 613 CA GLY A 43 -2.181 9.952 -1.597 1.00 0.00 C ATOM 614 C GLY A 43 -0.678 10.232 -1.651 1.00 0.00 C ATOM 615 O GLY A 43 -0.029 10.358 -0.614 1.00 0.00 O ATOM 0 H GLY A 43 -2.067 8.415 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.613 10.070 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.667 10.681 -0.949 1.00 0.00 H new ATOM 619 N VAL A 44 -0.169 10.321 -2.871 1.00 0.00 N ATOM 620 CA VAL A 44 1.246 10.585 -3.074 1.00 0.00 C ATOM 621 C VAL A 44 1.708 11.655 -2.083 1.00 0.00 C ATOM 622 O VAL A 44 1.065 12.694 -1.941 1.00 0.00 O ATOM 623 CB VAL A 44 1.502 10.969 -4.532 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.821 11.733 -4.674 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.484 9.735 -5.436 1.00 0.00 C ATOM 0 H VAL A 44 -0.711 10.215 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 44 1.834 9.688 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 44 0.695 11.629 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.979 11.994 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.781 12.643 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.643 11.107 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.669 10.037 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.260 9.039 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.511 9.249 -5.369 1.00 0.00 H new ATOM 635 N ILE A 45 2.820 11.365 -1.424 1.00 0.00 N ATOM 636 CA ILE A 45 3.376 12.289 -0.450 1.00 0.00 C ATOM 637 C ILE A 45 4.609 12.971 -1.047 1.00 0.00 C ATOM 638 O ILE A 45 4.676 14.198 -1.109 1.00 0.00 O ATOM 639 CB ILE A 45 3.650 11.573 0.874 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.347 11.295 1.626 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.648 12.359 1.726 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.557 10.240 2.714 1.00 0.00 C ATOM 0 H ILE A 45 3.351 10.503 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 45 2.657 13.075 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 45 4.106 10.608 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.978 12.217 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.584 10.954 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.825 11.828 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.588 12.462 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.243 13.348 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.616 10.061 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.903 9.312 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.302 10.595 3.426 1.00 0.00 H new ATOM 654 N LYS A 46 5.554 12.146 -1.472 1.00 0.00 N ATOM 655 CA LYS A 46 6.781 12.653 -2.062 1.00 0.00 C ATOM 656 C LYS A 46 7.000 11.991 -3.424 1.00 0.00 C ATOM 657 O LYS A 46 6.831 10.781 -3.564 1.00 0.00 O ATOM 658 CB LYS A 46 7.954 12.474 -1.096 1.00 0.00 C ATOM 659 CG LYS A 46 8.274 13.784 -0.372 1.00 0.00 C ATOM 660 CD LYS A 46 9.062 13.522 0.913 1.00 0.00 C ATOM 661 CE LYS A 46 8.145 13.568 2.137 1.00 0.00 C ATOM 662 NZ LYS A 46 8.894 14.025 3.329 1.00 0.00 N ATOM 0 H LYS A 46 5.495 11.129 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 46 6.703 13.726 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.714 11.701 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.832 12.134 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.850 14.436 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.348 14.308 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.547 12.548 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.852 14.266 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.308 14.240 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.725 12.579 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.257 14.050 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.678 13.369 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.274 14.977 3.156 1.00 0.00 H new ATOM 676 N LYS A 47 7.371 12.814 -4.393 1.00 0.00 N ATOM 677 CA LYS A 47 7.614 12.324 -5.739 1.00 0.00 C ATOM 678 C LYS A 47 9.098 11.985 -5.894 1.00 0.00 C ATOM 679 O LYS A 47 9.630 12.003 -7.002 1.00 0.00 O ATOM 680 CB LYS A 47 7.101 13.326 -6.775 1.00 0.00 C ATOM 681 CG LYS A 47 5.571 13.372 -6.783 1.00 0.00 C ATOM 682 CD LYS A 47 5.005 12.564 -7.952 1.00 0.00 C ATOM 683 CE LYS A 47 4.087 13.427 -8.821 1.00 0.00 C ATOM 684 NZ LYS A 47 4.885 14.282 -9.728 1.00 0.00 N ATOM 0 H LYS A 47 7.509 13.817 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 47 7.056 11.404 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.497 14.317 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.465 13.050 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.187 12.976 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.235 14.406 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.822 12.172 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.451 11.706 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.423 12.789 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.456 14.049 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.247 14.861 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.501 14.904 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.469 13.683 -10.346 1.00 0.00 H new ATOM 698 N LYS A 48 9.724 11.683 -4.766 1.00 0.00 N ATOM 699 CA LYS A 48 11.136 11.341 -4.762 1.00 0.00 C ATOM 700 C LYS A 48 11.507 10.743 -3.403 1.00 0.00 C ATOM 701 O LYS A 48 11.172 11.305 -2.361 1.00 0.00 O ATOM 702 CB LYS A 48 11.982 12.553 -5.153 1.00 0.00 C ATOM 703 CG LYS A 48 12.684 12.324 -6.493 1.00 0.00 C ATOM 704 CD LYS A 48 14.203 12.426 -6.342 1.00 0.00 C ATOM 705 CE LYS A 48 14.773 13.510 -7.258 1.00 0.00 C ATOM 706 NZ LYS A 48 15.876 14.231 -6.584 1.00 0.00 N ATOM 0 H LYS A 48 9.279 11.668 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 48 11.346 10.580 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.348 13.438 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.724 12.748 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.419 11.341 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.337 13.059 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.455 12.651 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.661 11.466 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.136 13.060 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.986 14.212 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.252 14.963 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.519 14.677 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.633 13.560 -6.343 1.00 0.00 H new ATOM 720 N ASP A 49 12.195 9.612 -3.458 1.00 0.00 N ATOM 721 CA ASP A 49 12.616 8.933 -2.244 1.00 0.00 C ATOM 722 C ASP A 49 13.811 9.671 -1.640 1.00 0.00 C ATOM 723 O ASP A 49 14.494 10.426 -2.331 1.00 0.00 O ATOM 724 CB ASP A 49 13.049 7.495 -2.540 1.00 0.00 C ATOM 725 CG ASP A 49 13.830 7.310 -3.842 1.00 0.00 C ATOM 726 OD1 ASP A 49 14.531 8.271 -4.225 1.00 0.00 O ATOM 727 OD2 ASP A 49 13.708 6.211 -4.426 1.00 0.00 O ATOM 0 H ASP A 49 12.471 9.149 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 49 11.772 8.922 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.662 7.139 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.161 6.864 -2.574 1.00 0.00 H new ATOM 732 N PRO A 50 14.035 9.422 -0.322 1.00 0.00 N ATOM 733 CA PRO A 50 15.136 10.055 0.384 1.00 0.00 C ATOM 734 C PRO A 50 16.472 9.415 0.001 1.00 0.00 C ATOM 735 O PRO A 50 17.172 8.872 0.855 1.00 0.00 O ATOM 736 CB PRO A 50 14.802 9.896 1.858 1.00 0.00 C ATOM 737 CG PRO A 50 13.771 8.781 1.934 1.00 0.00 C ATOM 738 CD PRO A 50 13.247 8.534 0.529 1.00 0.00 C ATOM 0 HA PRO A 50 15.251 11.108 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.692 9.645 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.405 10.824 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.219 7.874 2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.956 9.060 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.373 7.491 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.183 8.759 0.458 1.00 0.00 H new ATOM 746 N MET A 51 16.786 9.500 -1.283 1.00 0.00 N ATOM 747 CA MET A 51 18.026 8.937 -1.789 1.00 0.00 C ATOM 748 C MET A 51 18.386 9.538 -3.150 1.00 0.00 C ATOM 749 O MET A 51 19.529 9.932 -3.375 1.00 0.00 O ATOM 750 CB MET A 51 17.880 7.420 -1.924 1.00 0.00 C ATOM 751 CG MET A 51 18.211 6.718 -0.605 1.00 0.00 C ATOM 752 SD MET A 51 19.301 5.337 -0.906 1.00 0.00 S ATOM 753 CE MET A 51 20.857 6.198 -1.061 1.00 0.00 C ATOM 0 H MET A 51 16.203 9.950 -1.988 1.00 0.00 H new ATOM 0 HA MET A 51 18.824 9.173 -1.085 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.862 7.174 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.542 7.056 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.682 7.421 0.082 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.294 6.371 -0.128 1.00 0.00 H new ATOM 0 HE1 MET A 51 21.653 5.479 -1.253 1.00 0.00 H new ATOM 0 HE2 MET A 51 20.800 6.906 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 51 21.069 6.736 -0.137 1.00 0.00 H new ATOM 763 N GLY A 52 17.390 9.588 -4.021 1.00 0.00 N ATOM 764 CA GLY A 52 17.587 10.134 -5.353 1.00 0.00 C ATOM 765 C GLY A 52 17.033 9.189 -6.421 1.00 0.00 C ATOM 766 O GLY A 52 17.782 8.679 -7.253 1.00 0.00 O ATOM 0 H GLY A 52 16.443 9.259 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.094 11.103 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.650 10.302 -5.527 1.00 0.00 H new ATOM 770 N SER A 53 15.726 8.983 -6.363 1.00 0.00 N ATOM 771 CA SER A 53 15.062 8.108 -7.314 1.00 0.00 C ATOM 772 C SER A 53 13.573 8.449 -7.388 1.00 0.00 C ATOM 773 O SER A 53 12.876 8.427 -6.375 1.00 0.00 O ATOM 774 CB SER A 53 15.253 6.638 -6.936 1.00 0.00 C ATOM 775 OG SER A 53 15.908 5.902 -7.965 1.00 0.00 O ATOM 0 H SER A 53 15.108 9.408 -5.671 1.00 0.00 H new ATOM 0 HA SER A 53 15.512 8.264 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.836 6.573 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.282 6.188 -6.730 1.00 0.00 H new ATOM 0 HG SER A 53 16.012 4.969 -7.684 1.00 0.00 H new ATOM 781 N GLN A 54 13.128 8.755 -8.598 1.00 0.00 N ATOM 782 CA GLN A 54 11.733 9.100 -8.818 1.00 0.00 C ATOM 783 C GLN A 54 10.917 7.841 -9.120 1.00 0.00 C ATOM 784 O GLN A 54 9.687 7.882 -9.126 1.00 0.00 O ATOM 785 CB GLN A 54 11.593 10.127 -9.942 1.00 0.00 C ATOM 786 CG GLN A 54 11.588 9.444 -11.312 1.00 0.00 C ATOM 787 CD GLN A 54 12.966 8.868 -11.643 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.911 9.581 -11.937 1.00 0.00 O ATOM 789 NE2 GLN A 54 13.027 7.541 -11.578 1.00 0.00 N ATOM 0 H GLN A 54 13.709 8.771 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 54 11.342 9.553 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.670 10.692 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.415 10.842 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.845 8.647 -11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.296 10.162 -12.079 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.197 7.004 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.903 7.060 -11.781 1.00 0.00 H new ATOM 798 N ASN A 55 11.633 6.754 -9.363 1.00 0.00 N ATOM 799 CA ASN A 55 10.991 5.486 -9.665 1.00 0.00 C ATOM 800 C ASN A 55 10.092 5.083 -8.494 1.00 0.00 C ATOM 801 O ASN A 55 9.036 4.486 -8.694 1.00 0.00 O ATOM 802 CB ASN A 55 12.026 4.379 -9.870 1.00 0.00 C ATOM 803 CG ASN A 55 11.690 3.535 -11.102 1.00 0.00 C ATOM 804 OD1 ASN A 55 11.998 3.886 -12.229 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.044 2.407 -10.825 1.00 0.00 N ATOM 0 H ASN A 55 12.653 6.725 -9.357 1.00 0.00 H new ATOM 0 HA ASN A 55 10.412 5.611 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.016 4.819 -9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.062 3.741 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.775 1.775 -11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.817 2.174 -9.858 1.00 0.00 H new ATOM 812 N ARG A 56 10.546 5.425 -7.297 1.00 0.00 N ATOM 813 CA ARG A 56 9.797 5.106 -6.094 1.00 0.00 C ATOM 814 C ARG A 56 9.263 6.386 -5.446 1.00 0.00 C ATOM 815 O ARG A 56 9.992 7.368 -5.311 1.00 0.00 O ATOM 816 CB ARG A 56 10.669 4.357 -5.084 1.00 0.00 C ATOM 817 CG ARG A 56 9.808 3.650 -4.034 1.00 0.00 C ATOM 818 CD ARG A 56 10.252 2.198 -3.849 1.00 0.00 C ATOM 819 NE ARG A 56 9.185 1.280 -4.307 1.00 0.00 N ATOM 820 CZ ARG A 56 9.304 -0.054 -4.340 1.00 0.00 C ATOM 821 NH1 ARG A 56 10.444 -0.635 -3.942 1.00 0.00 N ATOM 822 NH2 ARG A 56 8.283 -0.807 -4.771 1.00 0.00 N ATOM 0 H ARG A 56 11.423 5.920 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 56 8.964 4.465 -6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.288 3.626 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.346 5.056 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.879 4.180 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.762 3.678 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.167 2.014 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.480 2.010 -2.800 1.00 0.00 H new ATOM 0 HE ARG A 56 8.303 1.689 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.221 -0.062 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.535 -1.651 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.415 -0.365 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.373 -1.823 -4.796 1.00 0.00 H new ATOM 836 N TRP A 57 7.996 6.333 -5.062 1.00 0.00 N ATOM 837 CA TRP A 57 7.357 7.475 -4.431 1.00 0.00 C ATOM 838 C TRP A 57 6.843 7.032 -3.060 1.00 0.00 C ATOM 839 O TRP A 57 6.666 5.839 -2.815 1.00 0.00 O ATOM 840 CB TRP A 57 6.257 8.050 -5.325 1.00 0.00 C ATOM 841 CG TRP A 57 6.779 8.771 -6.570 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.016 9.231 -6.798 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.023 9.096 -7.755 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.113 9.828 -8.039 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.863 9.743 -8.639 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.675 8.853 -8.070 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.448 10.200 -9.896 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.276 9.315 -9.330 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.108 9.968 -10.232 1.00 0.00 C ATOM 0 H TRP A 57 7.395 5.517 -5.176 1.00 0.00 H new ATOM 0 HA TRP A 57 8.071 8.287 -4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.597 7.241 -5.637 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.655 8.746 -4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.835 9.146 -6.099 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.948 10.253 -8.441 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.000 8.350 -7.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.125 10.704 -10.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.249 9.153 -9.622 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.723 10.295 -11.187 1.00 0.00 H new ATOM 860 N LEU A 58 6.616 8.016 -2.202 1.00 0.00 N ATOM 861 CA LEU A 58 6.126 7.742 -0.862 1.00 0.00 C ATOM 862 C LEU A 58 4.635 8.079 -0.791 1.00 0.00 C ATOM 863 O LEU A 58 4.236 9.209 -1.068 1.00 0.00 O ATOM 864 CB LEU A 58 6.973 8.477 0.179 1.00 0.00 C ATOM 865 CG LEU A 58 6.473 8.402 1.623 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.728 7.017 2.221 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.089 9.515 2.474 1.00 0.00 C ATOM 0 H LEU A 58 6.762 9.004 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 58 6.226 6.682 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.985 8.075 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.037 9.526 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 58 5.394 8.557 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.363 6.991 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.205 6.264 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.798 6.808 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.717 9.440 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.174 9.415 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.814 10.485 2.059 1.00 0.00 H new ATOM 879 N ILE A 59 3.852 7.078 -0.417 1.00 0.00 N ATOM 880 CA ILE A 59 2.414 7.254 -0.306 1.00 0.00 C ATOM 881 C ILE A 59 1.960 6.839 1.095 1.00 0.00 C ATOM 882 O ILE A 59 2.671 6.118 1.794 1.00 0.00 O ATOM 883 CB ILE A 59 1.694 6.507 -1.431 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.931 4.999 -1.328 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.097 7.058 -2.800 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.214 4.414 -0.109 1.00 0.00 C ATOM 0 H ILE A 59 4.186 6.142 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 59 2.149 8.304 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 59 0.622 6.673 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.575 4.508 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.000 4.799 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.571 6.510 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.835 8.114 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.172 6.943 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.398 3.341 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.590 4.890 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.143 4.594 -0.196 1.00 0.00 H new ATOM 898 N ASP A 60 0.780 7.313 1.465 1.00 0.00 N ATOM 899 CA ASP A 60 0.223 7.001 2.770 1.00 0.00 C ATOM 900 C ASP A 60 -1.042 6.159 2.592 1.00 0.00 C ATOM 901 O ASP A 60 -1.967 6.563 1.889 1.00 0.00 O ATOM 902 CB ASP A 60 -0.159 8.275 3.525 1.00 0.00 C ATOM 903 CG ASP A 60 -0.680 8.053 4.947 1.00 0.00 C ATOM 904 OD1 ASP A 60 -1.134 6.920 5.214 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.612 9.022 5.734 1.00 0.00 O ATOM 0 H ASP A 60 0.194 7.911 0.883 1.00 0.00 H new ATOM 0 HA ASP A 60 0.979 6.459 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.713 8.927 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.922 8.803 2.953 1.00 0.00 H new ATOM 910 N ASN A 61 -1.043 5.005 3.242 1.00 0.00 N ATOM 911 CA ASN A 61 -2.180 4.103 3.165 1.00 0.00 C ATOM 912 C ASN A 61 -3.125 4.380 4.335 1.00 0.00 C ATOM 913 O ASN A 61 -3.729 3.458 4.882 1.00 0.00 O ATOM 914 CB ASN A 61 -1.731 2.643 3.255 1.00 0.00 C ATOM 915 CG ASN A 61 -1.220 2.311 4.658 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.797 3.172 5.412 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.283 1.019 4.965 1.00 0.00 N ATOM 0 H ASN A 61 -0.274 4.673 3.825 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.679 4.269 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.564 1.987 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.945 2.455 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.966 0.696 5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.648 0.351 4.286 1.00 0.00 H new ATOM 924 N GLY A 62 -3.225 5.654 4.685 1.00 0.00 N ATOM 925 CA GLY A 62 -4.088 6.064 5.780 1.00 0.00 C ATOM 926 C GLY A 62 -3.811 5.234 7.035 1.00 0.00 C ATOM 927 O GLY A 62 -4.689 5.072 7.882 1.00 0.00 O ATOM 0 H GLY A 62 -2.723 6.416 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.930 7.121 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.132 5.951 5.487 1.00 0.00 H new ATOM 931 N VAL A 63 -2.589 4.731 7.116 1.00 0.00 N ATOM 932 CA VAL A 63 -2.186 3.922 8.254 1.00 0.00 C ATOM 933 C VAL A 63 -0.716 4.199 8.576 1.00 0.00 C ATOM 934 O VAL A 63 -0.371 4.488 9.721 1.00 0.00 O ATOM 935 CB VAL A 63 -2.468 2.445 7.972 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.936 1.560 9.101 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.962 2.206 7.745 1.00 0.00 C ATOM 0 H VAL A 63 -1.864 4.868 6.412 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.768 4.188 9.137 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.942 2.172 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.149 0.515 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.859 1.698 9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.420 1.835 10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.135 1.148 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.517 2.504 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.299 2.795 6.892 1.00 0.00 H new ATOM 947 N THR A 64 0.111 4.100 7.545 1.00 0.00 N ATOM 948 CA THR A 64 1.536 4.336 7.704 1.00 0.00 C ATOM 949 C THR A 64 2.131 4.899 6.412 1.00 0.00 C ATOM 950 O THR A 64 1.399 5.230 5.480 1.00 0.00 O ATOM 951 CB THR A 64 2.186 3.026 8.152 1.00 0.00 C ATOM 952 OG1 THR A 64 3.512 3.401 8.514 1.00 0.00 O ATOM 953 CG2 THR A 64 2.379 2.043 6.996 1.00 0.00 C ATOM 0 H THR A 64 -0.179 3.860 6.597 1.00 0.00 H new ATOM 0 HA THR A 64 1.729 5.089 8.468 1.00 0.00 H new ATOM 0 HB THR A 64 1.572 2.562 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.004 2.610 8.819 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.844 1.130 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.411 1.804 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.020 2.494 6.238 1.00 0.00 H new ATOM 961 N LYS A 65 3.453 4.989 6.396 1.00 0.00 N ATOM 962 CA LYS A 65 4.154 5.505 5.233 1.00 0.00 C ATOM 963 C LYS A 65 4.922 4.366 4.559 1.00 0.00 C ATOM 964 O LYS A 65 5.780 3.738 5.179 1.00 0.00 O ATOM 965 CB LYS A 65 5.035 6.694 5.623 1.00 0.00 C ATOM 966 CG LYS A 65 4.217 7.986 5.680 1.00 0.00 C ATOM 967 CD LYS A 65 5.101 9.179 6.050 1.00 0.00 C ATOM 968 CE LYS A 65 4.310 10.487 5.991 1.00 0.00 C ATOM 969 NZ LYS A 65 3.856 10.879 7.343 1.00 0.00 N ATOM 0 H LYS A 65 4.057 4.713 7.170 1.00 0.00 H new ATOM 0 HA LYS A 65 3.445 5.890 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.495 6.508 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.845 6.803 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.745 8.165 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.416 7.882 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.505 9.039 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.950 9.232 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.931 11.276 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.450 10.369 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.321 11.769 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.246 10.133 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.681 11.011 7.962 1.00 0.00 H new ATOM 983 N GLY A 66 4.587 4.134 3.299 1.00 0.00 N ATOM 984 CA GLY A 66 5.234 3.082 2.534 1.00 0.00 C ATOM 985 C GLY A 66 5.742 3.612 1.192 1.00 0.00 C ATOM 986 O GLY A 66 5.282 4.649 0.716 1.00 0.00 O ATOM 0 H GLY A 66 3.876 4.657 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.067 2.672 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.531 2.266 2.364 1.00 0.00 H new ATOM 990 N PHE A 67 6.684 2.877 0.619 1.00 0.00 N ATOM 991 CA PHE A 67 7.259 3.261 -0.659 1.00 0.00 C ATOM 992 C PHE A 67 6.908 2.243 -1.746 1.00 0.00 C ATOM 993 O PHE A 67 7.182 1.053 -1.599 1.00 0.00 O ATOM 994 CB PHE A 67 8.778 3.290 -0.476 1.00 0.00 C ATOM 995 CG PHE A 67 9.297 4.551 0.218 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.294 4.631 1.576 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.760 5.593 -0.523 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.775 5.801 2.219 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.242 6.763 0.120 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.239 6.843 1.478 1.00 0.00 C ATOM 0 H PHE A 67 7.063 2.018 1.016 1.00 0.00 H new ATOM 0 HA PHE A 67 6.868 4.231 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.081 2.418 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.253 3.204 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.926 3.804 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.761 5.530 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.773 5.864 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.611 7.590 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.605 7.733 1.968 1.00 0.00 H new ATOM 1010 N VAL A 68 6.306 2.748 -2.813 1.00 0.00 N ATOM 1011 CA VAL A 68 5.915 1.898 -3.925 1.00 0.00 C ATOM 1012 C VAL A 68 6.129 2.652 -5.238 1.00 0.00 C ATOM 1013 O VAL A 68 6.192 3.881 -5.250 1.00 0.00 O ATOM 1014 CB VAL A 68 4.473 1.422 -3.737 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.354 0.502 -2.521 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.515 2.609 -3.623 1.00 0.00 C ATOM 0 H VAL A 68 6.079 3.735 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 68 6.537 1.004 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 68 4.191 0.848 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.319 0.178 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.994 -0.369 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.664 1.041 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.497 2.243 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.795 3.222 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.569 3.209 -4.531 1.00 0.00 H new ATOM 1026 N TYR A 69 6.236 1.885 -6.313 1.00 0.00 N ATOM 1027 CA TYR A 69 6.443 2.466 -7.629 1.00 0.00 C ATOM 1028 C TYR A 69 5.122 2.957 -8.225 1.00 0.00 C ATOM 1029 O TYR A 69 4.131 2.229 -8.233 1.00 0.00 O ATOM 1030 CB TYR A 69 6.995 1.339 -8.505 1.00 0.00 C ATOM 1031 CG TYR A 69 8.269 0.692 -7.957 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.323 1.483 -7.547 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.363 -0.682 -7.872 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.521 0.874 -7.031 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.561 -1.291 -7.356 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.582 -0.483 -6.961 1.00 0.00 C ATOM 1037 OH TYR A 69 11.713 -1.058 -6.473 1.00 0.00 O ATOM 0 H TYR A 69 6.183 0.866 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 69 7.118 3.320 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.229 0.571 -8.617 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.199 1.733 -9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.249 2.558 -7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.538 -1.301 -8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.353 1.481 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.647 -2.365 -7.284 1.00 0.00 H new ATOM 0 HH TYR A 69 11.614 -2.033 -6.481 1.00 0.00 H new ATOM 1047 N SER A 70 5.150 4.190 -8.709 1.00 0.00 N ATOM 1048 CA SER A 70 3.967 4.788 -9.305 1.00 0.00 C ATOM 1049 C SER A 70 3.283 3.781 -10.232 1.00 0.00 C ATOM 1050 O SER A 70 2.075 3.855 -10.450 1.00 0.00 O ATOM 1051 CB SER A 70 4.322 6.062 -10.074 1.00 0.00 C ATOM 1052 OG SER A 70 5.529 5.918 -10.818 1.00 0.00 O ATOM 0 H SER A 70 5.974 4.792 -8.701 1.00 0.00 H new ATOM 0 HA SER A 70 3.280 5.060 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.507 6.316 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.424 6.891 -9.374 1.00 0.00 H new ATOM 0 HG SER A 70 5.720 6.752 -11.296 1.00 0.00 H new ATOM 1058 N SER A 71 4.085 2.864 -10.752 1.00 0.00 N ATOM 1059 CA SER A 71 3.571 1.843 -11.650 1.00 0.00 C ATOM 1060 C SER A 71 2.482 1.029 -10.949 1.00 0.00 C ATOM 1061 O SER A 71 1.484 0.660 -11.566 1.00 0.00 O ATOM 1062 CB SER A 71 4.692 0.922 -12.136 1.00 0.00 C ATOM 1063 OG SER A 71 4.705 0.799 -13.555 1.00 0.00 O ATOM 0 H SER A 71 5.087 2.806 -10.569 1.00 0.00 H new ATOM 0 HA SER A 71 3.141 2.339 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.652 1.310 -11.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.571 -0.064 -11.688 1.00 0.00 H new ATOM 0 HG SER A 71 5.436 0.205 -13.825 1.00 0.00 H new ATOM 1069 N PHE A 72 2.710 0.774 -9.669 1.00 0.00 N ATOM 1070 CA PHE A 72 1.760 0.010 -8.878 1.00 0.00 C ATOM 1071 C PHE A 72 0.580 0.883 -8.445 1.00 0.00 C ATOM 1072 O PHE A 72 -0.385 0.386 -7.868 1.00 0.00 O ATOM 1073 CB PHE A 72 2.504 -0.475 -7.632 1.00 0.00 C ATOM 1074 CG PHE A 72 3.177 -1.839 -7.801 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.439 -2.977 -7.706 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.513 -1.912 -8.046 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.064 -4.243 -7.863 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.137 -3.178 -8.203 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.400 -4.316 -8.108 1.00 0.00 C ATOM 0 H PHE A 72 3.538 1.083 -9.160 1.00 0.00 H new ATOM 0 HA PHE A 72 1.367 -0.819 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.261 0.262 -7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.802 -0.528 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.378 -2.918 -7.511 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.099 -1.008 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.478 -5.147 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.198 -3.237 -8.398 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.875 -5.278 -8.227 1.00 0.00 H new ATOM 1089 N LEU A 73 0.697 2.170 -8.740 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.347 3.116 -8.389 1.00 0.00 C ATOM 1091 C LEU A 73 -0.952 3.700 -9.668 1.00 0.00 C ATOM 1092 O LEU A 73 -0.324 3.671 -10.725 1.00 0.00 O ATOM 1093 CB LEU A 73 0.191 4.175 -7.424 1.00 0.00 C ATOM 1094 CG LEU A 73 0.778 3.650 -6.112 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.571 4.742 -5.391 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.315 3.053 -5.223 1.00 0.00 C ATOM 0 H LEU A 73 1.500 2.579 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.153 2.612 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.961 4.750 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.618 4.866 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 73 1.476 2.847 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.978 4.343 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.388 5.080 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.913 5.582 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.129 2.687 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.056 3.819 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.798 2.227 -5.745 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.164 4.217 -9.529 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.860 4.807 -10.660 1.00 0.00 C ATOM 1110 C LYS A 74 -3.476 6.141 -10.234 1.00 0.00 C ATOM 1111 O LYS A 74 -3.883 6.302 -9.085 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.873 3.818 -11.240 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.853 3.343 -10.165 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.275 3.821 -10.470 1.00 0.00 C ATOM 1115 CE LYS A 74 -6.857 3.076 -11.673 1.00 0.00 C ATOM 1116 NZ LYS A 74 -7.126 4.016 -12.784 1.00 0.00 N ATOM 0 H LYS A 74 -2.682 4.240 -8.650 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.161 5.022 -11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.422 4.290 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.349 2.961 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.836 2.255 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.540 3.719 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.910 3.664 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.267 4.892 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.161 2.304 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.779 2.571 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.141 3.495 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.047 4.475 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.380 4.739 -12.815 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.528 7.087 -11.210 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.088 8.402 -10.948 1.00 0.00 C ATOM 1132 C PRO A 75 -5.615 8.343 -10.876 1.00 0.00 C ATOM 1133 O PRO A 75 -6.284 8.224 -11.901 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.580 9.279 -12.081 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.141 8.326 -13.181 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.056 6.931 -12.582 1.00 0.00 C ATOM 0 HA PRO A 75 -3.782 8.805 -9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.362 9.951 -12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.750 9.903 -11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.851 8.344 -14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.174 8.628 -13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.674 6.224 -13.135 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.035 6.550 -12.609 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.122 8.429 -9.655 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.558 8.387 -9.436 1.00 0.00 C ATOM 1146 C TYR A 76 -8.282 9.371 -10.358 1.00 0.00 C ATOM 1147 O TYR A 76 -7.651 10.051 -11.165 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.776 8.814 -7.983 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.159 8.463 -7.432 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.477 7.149 -7.151 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -10.089 9.459 -7.216 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.779 6.819 -6.632 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.391 9.129 -6.698 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.672 7.825 -6.431 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.902 7.513 -5.941 1.00 0.00 O ATOM 0 H TYR A 76 -5.564 8.528 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.949 7.390 -9.642 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.017 8.342 -7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.628 9.891 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.749 6.369 -7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.840 10.487 -7.436 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.041 5.796 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.128 9.899 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.434 8.331 -5.848 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.598 9.415 -10.207 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.415 10.303 -11.015 1.00 0.00 C ATOM 1167 C ASN A 77 -11.821 10.381 -10.418 1.00 0.00 C ATOM 1168 O ASN A 77 -12.681 9.560 -10.736 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.538 9.786 -12.450 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.753 10.670 -13.421 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.578 11.859 -13.215 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -9.293 10.024 -14.489 1.00 0.00 N ATOM 0 H ASN A 77 -10.118 8.849 -9.536 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.938 11.283 -11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.168 8.762 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.588 9.761 -12.743 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.757 10.526 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.476 9.027 -14.600 1.00 0.00 H new