USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 29 HIS : no HD1:sc= 0.552 K(o=2.3,f=0.15) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.645 K(o=2.3,f=0.95) USER MOD Set 1.3: A 49 SER OG : rot 158:sc= 1.15 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 100:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0755 K(o=-0.076,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.057) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 1.32 (180deg=1.04) USER MOD Single : A 25 SER OG : rot 58:sc= 1.27 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.0572 (180deg=-0.409) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.63 K(o=0.63,f=-0.18) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 56 CYS SG : rot -119:sc= 0.426 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.166 K(o=0.17,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0851) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 1.01 (180deg=0.803) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.05 K(o=-0.05,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.874 32.475 14.174 1.00 0.00 N ATOM 2 CA PRO A 1 18.375 33.587 15.004 1.00 0.00 C ATOM 3 C PRO A 1 19.878 33.481 15.319 1.00 0.00 C ATOM 4 O PRO A 1 20.563 32.581 14.833 1.00 0.00 O ATOM 5 CB PRO A 1 17.487 33.615 16.261 1.00 0.00 C ATOM 6 CG PRO A 1 16.249 32.788 15.888 1.00 0.00 C ATOM 7 CD PRO A 1 16.423 32.546 14.395 1.00 0.00 C ATOM 0 H2 PRO A 1 18.260 31.578 14.468 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.115 32.596 13.190 1.00 0.00 H new ATOM 0 HA PRO A 1 18.305 34.532 14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 1 18.004 33.187 17.120 1.00 0.00 H new ATOM 0 HB3 PRO A 1 17.214 34.636 16.529 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.209 31.852 16.445 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.326 33.327 16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.934 31.622 14.088 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.976 33.352 13.812 1.00 0.00 H new ATOM 15 N LYS A 2 20.376 34.401 16.157 1.00 0.00 N ATOM 16 CA LYS A 2 21.709 34.383 16.788 1.00 0.00 C ATOM 17 C LYS A 2 21.584 34.382 18.312 1.00 0.00 C ATOM 18 O LYS A 2 20.598 34.897 18.844 1.00 0.00 O ATOM 19 CB LYS A 2 22.528 35.607 16.356 1.00 0.00 C ATOM 20 CG LYS A 2 22.793 35.685 14.845 1.00 0.00 C ATOM 21 CD LYS A 2 23.505 36.986 14.444 1.00 0.00 C ATOM 22 CE LYS A 2 22.693 38.212 14.886 1.00 0.00 C ATOM 23 NZ LYS A 2 23.158 39.458 14.247 1.00 0.00 N ATOM 0 H LYS A 2 19.834 35.221 16.429 1.00 0.00 H new ATOM 0 HA LYS A 2 22.217 33.474 16.465 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.004 36.510 16.669 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.483 35.595 16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.400 34.833 14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.847 35.611 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.496 37.018 14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.648 37.009 13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.642 38.054 14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.759 38.316 15.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.578 40.255 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.153 39.626 14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.071 39.372 13.214 1.00 0.00 H new ATOM 37 N SER A 3 22.562 33.822 19.008 1.00 0.00 N ATOM 38 CA SER A 3 22.574 33.603 20.458 1.00 0.00 C ATOM 39 C SER A 3 24.010 33.319 20.929 1.00 0.00 C ATOM 40 O SER A 3 24.871 33.006 20.104 1.00 0.00 O ATOM 41 CB SER A 3 21.658 32.411 20.757 1.00 0.00 C ATOM 42 OG SER A 3 21.295 32.352 22.115 1.00 0.00 O ATOM 0 H SER A 3 23.415 33.489 18.559 1.00 0.00 H new ATOM 0 HA SER A 3 22.218 34.486 20.988 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.759 32.482 20.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.163 31.487 20.476 1.00 0.00 H new ATOM 0 HG SER A 3 20.396 32.725 22.230 1.00 0.00 H new ATOM 48 N ARG A 4 24.289 33.387 22.234 1.00 0.00 N ATOM 49 CA ARG A 4 25.639 33.295 22.823 1.00 0.00 C ATOM 50 C ARG A 4 25.654 32.405 24.071 1.00 0.00 C ATOM 51 O ARG A 4 24.974 32.685 25.057 1.00 0.00 O ATOM 52 CB ARG A 4 26.129 34.727 23.117 1.00 0.00 C ATOM 53 CG ARG A 4 27.434 34.803 23.928 1.00 0.00 C ATOM 54 CD ARG A 4 27.748 36.255 24.304 1.00 0.00 C ATOM 55 NE ARG A 4 28.890 36.332 25.228 1.00 0.00 N ATOM 56 CZ ARG A 4 30.133 36.686 24.967 1.00 0.00 C ATOM 57 NH1 ARG A 4 30.572 36.998 23.785 1.00 0.00 N ATOM 58 NH2 ARG A 4 30.982 36.722 25.948 1.00 0.00 N ATOM 0 H ARG A 4 23.561 33.512 22.937 1.00 0.00 H new ATOM 0 HA ARG A 4 26.321 32.818 22.119 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.274 35.249 22.171 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.348 35.260 23.659 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.344 34.199 24.831 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.256 34.386 23.346 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.967 36.827 23.403 1.00 0.00 H new ATOM 0 HD3 ARG A 4 26.872 36.711 24.766 1.00 0.00 H new ATOM 0 HE ARG A 4 28.695 36.079 26.197 1.00 0.00 H new ATOM 0 HH11 ARG A 4 29.940 36.978 22.985 1.00 0.00 H new ATOM 0 HH12 ARG A 4 31.549 37.263 23.657 1.00 0.00 H new ATOM 0 HH21 ARG A 4 30.681 36.480 26.892 1.00 0.00 H new ATOM 0 HH22 ARG A 4 31.950 36.992 25.775 1.00 0.00 H new ATOM 72 N LEU A 5 26.483 31.365 24.020 1.00 0.00 N ATOM 73 CA LEU A 5 26.766 30.388 25.072 1.00 0.00 C ATOM 74 C LEU A 5 28.178 30.610 25.630 1.00 0.00 C ATOM 75 O LEU A 5 29.130 30.730 24.859 1.00 0.00 O ATOM 76 CB LEU A 5 26.595 28.984 24.444 1.00 0.00 C ATOM 77 CG LEU A 5 26.632 27.793 25.419 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.964 26.559 24.813 1.00 0.00 C ATOM 79 CD2 LEU A 5 28.041 27.352 25.803 1.00 0.00 C ATOM 0 H LEU A 5 27.018 31.167 23.174 1.00 0.00 H new ATOM 0 HA LEU A 5 26.083 30.493 25.915 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.644 28.961 23.911 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.380 28.843 23.701 1.00 0.00 H new ATOM 0 HG LEU A 5 26.107 28.159 26.301 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.006 25.735 25.526 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.923 26.785 24.582 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.485 26.275 23.899 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.983 26.509 26.492 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.585 27.052 24.907 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.563 28.179 26.285 1.00 0.00 H new ATOM 91 N PHE A 6 28.331 30.604 26.955 1.00 0.00 N ATOM 92 CA PHE A 6 29.639 30.601 27.612 1.00 0.00 C ATOM 93 C PHE A 6 29.764 29.462 28.634 1.00 0.00 C ATOM 94 O PHE A 6 28.852 29.254 29.434 1.00 0.00 O ATOM 95 CB PHE A 6 29.877 31.963 28.263 1.00 0.00 C ATOM 96 CG PHE A 6 31.266 32.137 28.837 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.296 32.653 28.029 1.00 0.00 C ATOM 98 CD2 PHE A 6 31.526 31.808 30.182 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.578 32.842 28.567 1.00 0.00 C ATOM 100 CE2 PHE A 6 32.815 31.984 30.712 1.00 0.00 C ATOM 101 CZ PHE A 6 33.843 32.494 29.901 1.00 0.00 C ATOM 0 H PHE A 6 27.546 30.601 27.606 1.00 0.00 H new ATOM 0 HA PHE A 6 30.407 30.424 26.860 1.00 0.00 H new ATOM 0 HB2 PHE A 6 29.701 32.744 27.523 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.146 32.107 29.058 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.100 32.903 26.997 1.00 0.00 H new ATOM 0 HD2 PHE A 6 30.734 31.420 30.806 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.364 33.257 27.953 1.00 0.00 H new ATOM 0 HE2 PHE A 6 33.016 31.728 31.742 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.837 32.618 30.304 1.00 0.00 H new ATOM 111 N ILE A 7 30.915 28.787 28.658 1.00 0.00 N ATOM 112 CA ILE A 7 31.333 27.859 29.719 1.00 0.00 C ATOM 113 C ILE A 7 32.697 28.310 30.236 1.00 0.00 C ATOM 114 O ILE A 7 33.586 28.543 29.420 1.00 0.00 O ATOM 115 CB ILE A 7 31.444 26.381 29.251 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.434 25.914 28.179 1.00 0.00 C ATOM 117 CG2 ILE A 7 31.284 25.474 30.480 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.963 26.121 26.753 1.00 0.00 C ATOM 0 H ILE A 7 31.608 28.872 27.915 1.00 0.00 H new ATOM 0 HA ILE A 7 30.565 27.886 30.492 1.00 0.00 H new ATOM 0 HB ILE A 7 32.420 26.313 28.771 1.00 0.00 H new ATOM 0 HG12 ILE A 7 30.208 24.859 28.331 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.499 26.461 28.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 31.359 24.430 30.174 1.00 0.00 H new ATOM 0 HG22 ILE A 7 32.069 25.698 31.202 1.00 0.00 H new ATOM 0 HG23 ILE A 7 30.310 25.649 30.937 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.218 25.778 26.035 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.164 27.180 26.590 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.883 25.552 26.620 1.00 0.00 H new ATOM 130 N GLY A 8 32.881 28.399 31.555 1.00 0.00 N ATOM 131 CA GLY A 8 34.176 28.645 32.198 1.00 0.00 C ATOM 132 C GLY A 8 35.137 27.450 32.116 1.00 0.00 C ATOM 133 O GLY A 8 35.061 26.643 31.195 1.00 0.00 O ATOM 0 H GLY A 8 32.116 28.300 32.223 1.00 0.00 H new ATOM 0 HA2 GLY A 8 34.645 29.511 31.732 1.00 0.00 H new ATOM 0 HA3 GLY A 8 34.011 28.897 33.245 1.00 0.00 H new ATOM 137 N ASN A 9 36.043 27.329 33.091 1.00 0.00 N ATOM 138 CA ASN A 9 37.061 26.275 33.194 1.00 0.00 C ATOM 139 C ASN A 9 36.456 24.855 33.285 1.00 0.00 C ATOM 140 O ASN A 9 36.234 24.321 34.376 1.00 0.00 O ATOM 141 CB ASN A 9 37.950 26.604 34.409 1.00 0.00 C ATOM 142 CG ASN A 9 39.151 25.687 34.576 1.00 0.00 C ATOM 143 OD1 ASN A 9 39.420 24.781 33.801 1.00 0.00 O ATOM 144 ND2 ASN A 9 39.922 25.912 35.612 1.00 0.00 N ATOM 0 H ASN A 9 36.090 27.992 33.865 1.00 0.00 H new ATOM 0 HA ASN A 9 37.657 26.260 32.281 1.00 0.00 H new ATOM 0 HB2 ASN A 9 38.303 27.631 34.318 1.00 0.00 H new ATOM 0 HB3 ASN A 9 37.342 26.554 35.312 1.00 0.00 H new ATOM 0 HD21 ASN A 9 40.745 25.331 35.771 1.00 0.00 H new ATOM 0 HD22 ASN A 9 39.699 26.668 36.259 1.00 0.00 H new ATOM 151 N LEU A 10 36.169 24.253 32.128 1.00 0.00 N ATOM 152 CA LEU A 10 35.647 22.891 31.986 1.00 0.00 C ATOM 153 C LEU A 10 36.015 22.249 30.632 1.00 0.00 C ATOM 154 O LEU A 10 36.665 21.196 30.664 1.00 0.00 O ATOM 155 CB LEU A 10 34.125 22.891 32.271 1.00 0.00 C ATOM 156 CG LEU A 10 33.413 21.529 32.409 1.00 0.00 C ATOM 157 CD1 LEU A 10 33.366 20.702 31.124 1.00 0.00 C ATOM 158 CD2 LEU A 10 34.015 20.678 33.526 1.00 0.00 C ATOM 0 H LEU A 10 36.299 24.719 31.230 1.00 0.00 H new ATOM 0 HA LEU A 10 36.129 22.253 32.727 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.958 23.450 33.192 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.635 23.444 31.469 1.00 0.00 H new ATOM 0 HG LEU A 10 32.386 21.797 32.657 1.00 0.00 H new ATOM 0 HD11 LEU A 10 32.848 19.762 31.315 1.00 0.00 H new ATOM 0 HD12 LEU A 10 32.835 21.259 30.352 1.00 0.00 H new ATOM 0 HD13 LEU A 10 34.382 20.494 30.788 1.00 0.00 H new ATOM 0 HD21 LEU A 10 33.483 19.729 33.587 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.068 20.491 33.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 33.924 21.206 34.475 1.00 0.00 H new ATOM 170 N PRO A 11 35.652 22.809 29.453 1.00 0.00 N ATOM 171 CA PRO A 11 35.845 22.116 28.178 1.00 0.00 C ATOM 172 C PRO A 11 37.322 22.039 27.779 1.00 0.00 C ATOM 173 O PRO A 11 37.752 20.998 27.274 1.00 0.00 O ATOM 174 CB PRO A 11 35.018 22.900 27.153 1.00 0.00 C ATOM 175 CG PRO A 11 35.036 24.324 27.698 1.00 0.00 C ATOM 176 CD PRO A 11 35.026 24.107 29.210 1.00 0.00 C ATOM 0 HA PRO A 11 35.520 21.078 28.243 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.457 22.846 26.157 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.002 22.512 27.075 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.922 24.870 27.374 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.169 24.895 27.366 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.573 24.901 29.718 1.00 0.00 H new ATOM 0 HD3 PRO A 11 34.007 24.123 29.596 1.00 0.00 H new ATOM 184 N LEU A 12 38.104 23.084 28.086 1.00 0.00 N ATOM 185 CA LEU A 12 39.501 23.249 27.677 1.00 0.00 C ATOM 186 C LEU A 12 39.692 23.169 26.148 1.00 0.00 C ATOM 187 O LEU A 12 38.767 22.908 25.374 1.00 0.00 O ATOM 188 CB LEU A 12 40.407 22.274 28.475 1.00 0.00 C ATOM 189 CG LEU A 12 40.786 22.751 29.890 1.00 0.00 C ATOM 190 CD1 LEU A 12 39.621 22.725 30.878 1.00 0.00 C ATOM 191 CD2 LEU A 12 41.870 21.832 30.445 1.00 0.00 C ATOM 0 H LEU A 12 37.765 23.865 28.647 1.00 0.00 H new ATOM 0 HA LEU A 12 39.815 24.262 27.929 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.899 21.313 28.555 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.322 22.105 27.907 1.00 0.00 H new ATOM 0 HG LEU A 12 41.118 23.784 29.788 1.00 0.00 H new ATOM 0 HD11 LEU A 12 39.963 23.074 31.853 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.824 23.376 30.518 1.00 0.00 H new ATOM 0 HD13 LEU A 12 39.244 21.706 30.969 1.00 0.00 H new ATOM 0 HD21 LEU A 12 42.147 22.160 31.447 1.00 0.00 H new ATOM 0 HD22 LEU A 12 41.493 20.810 30.489 1.00 0.00 H new ATOM 0 HD23 LEU A 12 42.745 21.869 29.796 1.00 0.00 H new ATOM 203 N LYS A 13 40.933 23.347 25.694 1.00 0.00 N ATOM 204 CA LYS A 13 41.352 23.190 24.289 1.00 0.00 C ATOM 205 C LYS A 13 41.346 21.729 23.800 1.00 0.00 C ATOM 206 O LYS A 13 41.952 21.425 22.778 1.00 0.00 O ATOM 207 CB LYS A 13 42.717 23.870 24.103 1.00 0.00 C ATOM 208 CG LYS A 13 42.638 25.380 24.368 1.00 0.00 C ATOM 209 CD LYS A 13 44.037 25.988 24.311 1.00 0.00 C ATOM 210 CE LYS A 13 43.965 27.447 24.748 1.00 0.00 C ATOM 211 NZ LYS A 13 45.307 28.051 24.789 1.00 0.00 N ATOM 0 H LYS A 13 41.703 23.613 26.308 1.00 0.00 H new ATOM 0 HA LYS A 13 40.613 23.681 23.656 1.00 0.00 H new ATOM 0 HB2 LYS A 13 43.444 23.419 24.779 1.00 0.00 H new ATOM 0 HB3 LYS A 13 43.075 23.697 23.088 1.00 0.00 H new ATOM 0 HG2 LYS A 13 41.994 25.855 23.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 42.191 25.564 25.345 1.00 0.00 H new ATOM 0 HD2 LYS A 13 44.715 25.434 24.961 1.00 0.00 H new ATOM 0 HD3 LYS A 13 44.437 25.918 23.299 1.00 0.00 H new ATOM 0 HE2 LYS A 13 43.331 28.006 24.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 43.502 27.513 25.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 45.232 29.044 25.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 45.902 27.529 25.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 45.737 28.007 23.843 1.00 0.00 H new ATOM 225 N ASN A 14 40.652 20.837 24.511 1.00 0.00 N ATOM 226 CA ASN A 14 40.387 19.451 24.130 1.00 0.00 C ATOM 227 C ASN A 14 39.021 19.269 23.443 1.00 0.00 C ATOM 228 O ASN A 14 38.756 18.214 22.865 1.00 0.00 O ATOM 229 CB ASN A 14 40.548 18.583 25.392 1.00 0.00 C ATOM 230 CG ASN A 14 40.395 17.101 25.108 1.00 0.00 C ATOM 231 OD1 ASN A 14 39.436 16.464 25.530 1.00 0.00 O ATOM 232 ND2 ASN A 14 41.327 16.517 24.390 1.00 0.00 N ATOM 0 H ASN A 14 40.240 21.076 25.413 1.00 0.00 H new ATOM 0 HA ASN A 14 41.104 19.133 23.374 1.00 0.00 H new ATOM 0 HB2 ASN A 14 41.529 18.765 25.830 1.00 0.00 H new ATOM 0 HB3 ASN A 14 39.807 18.885 26.132 1.00 0.00 H new ATOM 0 HD21 ASN A 14 41.258 15.522 24.177 1.00 0.00 H new ATOM 0 HD22 ASN A 14 42.119 17.059 24.045 1.00 0.00 H new ATOM 239 N VAL A 15 38.151 20.280 23.475 1.00 0.00 N ATOM 240 CA VAL A 15 36.885 20.288 22.730 1.00 0.00 C ATOM 241 C VAL A 15 37.085 21.002 21.390 1.00 0.00 C ATOM 242 O VAL A 15 37.554 22.138 21.349 1.00 0.00 O ATOM 243 CB VAL A 15 35.767 20.905 23.590 1.00 0.00 C ATOM 244 CG1 VAL A 15 34.452 21.058 22.824 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.468 20.005 24.799 1.00 0.00 C ATOM 0 H VAL A 15 38.305 21.126 24.024 1.00 0.00 H new ATOM 0 HA VAL A 15 36.570 19.269 22.504 1.00 0.00 H new ATOM 0 HB VAL A 15 36.131 21.887 23.892 1.00 0.00 H new ATOM 0 HG11 VAL A 15 33.699 21.498 23.478 1.00 0.00 H new ATOM 0 HG12 VAL A 15 34.607 21.706 21.962 1.00 0.00 H new ATOM 0 HG13 VAL A 15 34.112 20.079 22.486 1.00 0.00 H new ATOM 0 HG21 VAL A 15 34.676 20.453 25.399 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.149 19.023 24.451 1.00 0.00 H new ATOM 0 HG23 VAL A 15 36.367 19.900 25.406 1.00 0.00 H new ATOM 255 N SER A 16 36.713 20.339 20.294 1.00 0.00 N ATOM 256 CA SER A 16 36.717 20.885 18.925 1.00 0.00 C ATOM 257 C SER A 16 35.285 21.107 18.418 1.00 0.00 C ATOM 258 O SER A 16 34.324 20.690 19.074 1.00 0.00 O ATOM 259 CB SER A 16 37.515 19.952 18.007 1.00 0.00 C ATOM 260 OG SER A 16 38.867 19.940 18.439 1.00 0.00 O ATOM 0 H SER A 16 36.388 19.373 20.330 1.00 0.00 H new ATOM 0 HA SER A 16 37.202 21.861 18.925 1.00 0.00 H new ATOM 0 HB2 SER A 16 37.099 18.945 18.037 1.00 0.00 H new ATOM 0 HB3 SER A 16 37.451 20.292 16.973 1.00 0.00 H new ATOM 0 HG SER A 16 39.390 19.345 17.861 1.00 0.00 H new ATOM 266 N LYS A 17 35.104 21.765 17.264 1.00 0.00 N ATOM 267 CA LYS A 17 33.766 22.148 16.761 1.00 0.00 C ATOM 268 C LYS A 17 32.828 20.970 16.479 1.00 0.00 C ATOM 269 O LYS A 17 31.612 21.137 16.530 1.00 0.00 O ATOM 270 CB LYS A 17 33.876 23.095 15.559 1.00 0.00 C ATOM 271 CG LYS A 17 34.326 22.407 14.269 1.00 0.00 C ATOM 272 CD LYS A 17 34.380 23.407 13.111 1.00 0.00 C ATOM 273 CE LYS A 17 35.075 22.820 11.878 1.00 0.00 C ATOM 274 NZ LYS A 17 34.377 21.620 11.372 1.00 0.00 N ATOM 0 H LYS A 17 35.871 22.047 16.653 1.00 0.00 H new ATOM 0 HA LYS A 17 33.290 22.685 17.582 1.00 0.00 H new ATOM 0 HB2 LYS A 17 32.908 23.566 15.390 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.580 23.892 15.799 1.00 0.00 H new ATOM 0 HG2 LYS A 17 35.309 21.958 14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 17 33.639 21.597 14.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 33.367 23.710 12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 17 34.908 24.305 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 35.118 23.574 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 17 36.104 22.563 12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 34.541 21.528 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 34.741 20.776 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 33.357 21.710 11.552 1.00 0.00 H new ATOM 288 N GLU A 18 33.368 19.783 16.218 1.00 0.00 N ATOM 289 CA GLU A 18 32.611 18.536 16.053 1.00 0.00 C ATOM 290 C GLU A 18 32.106 18.000 17.403 1.00 0.00 C ATOM 291 O GLU A 18 31.014 17.434 17.480 1.00 0.00 O ATOM 292 CB GLU A 18 33.496 17.463 15.389 1.00 0.00 C ATOM 293 CG GLU A 18 34.046 17.831 14.000 1.00 0.00 C ATOM 294 CD GLU A 18 35.138 18.907 14.028 1.00 0.00 C ATOM 295 OE1 GLU A 18 35.836 19.072 15.054 1.00 0.00 O ATOM 296 OE2 GLU A 18 35.319 19.623 13.016 1.00 0.00 O ATOM 0 H GLU A 18 34.374 19.653 16.111 1.00 0.00 H new ATOM 0 HA GLU A 18 31.751 18.757 15.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.336 17.249 16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.918 16.543 15.301 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.447 16.933 13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.223 18.179 13.375 1.00 0.00 H new ATOM 303 N ASP A 19 32.884 18.216 18.471 1.00 0.00 N ATOM 304 CA ASP A 19 32.599 17.746 19.827 1.00 0.00 C ATOM 305 C ASP A 19 31.589 18.643 20.542 1.00 0.00 C ATOM 306 O ASP A 19 30.566 18.152 21.009 1.00 0.00 O ATOM 307 CB ASP A 19 33.887 17.631 20.651 1.00 0.00 C ATOM 308 CG ASP A 19 34.842 16.569 20.119 1.00 0.00 C ATOM 309 OD1 ASP A 19 34.406 15.412 19.900 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.048 16.873 19.982 1.00 0.00 O ATOM 0 H ASP A 19 33.757 18.740 18.410 1.00 0.00 H new ATOM 0 HA ASP A 19 32.154 16.755 19.734 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.394 18.596 20.659 1.00 0.00 H new ATOM 0 HB3 ASP A 19 33.631 17.397 21.684 1.00 0.00 H new ATOM 315 N LEU A 20 31.807 19.963 20.573 1.00 0.00 N ATOM 316 CA LEU A 20 30.809 20.885 21.134 1.00 0.00 C ATOM 317 C LEU A 20 29.477 20.800 20.375 1.00 0.00 C ATOM 318 O LEU A 20 28.413 20.914 20.981 1.00 0.00 O ATOM 319 CB LEU A 20 31.364 22.316 21.221 1.00 0.00 C ATOM 320 CG LEU A 20 31.729 22.960 19.873 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.574 23.760 19.269 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.929 23.894 20.049 1.00 0.00 C ATOM 0 H LEU A 20 32.652 20.413 20.222 1.00 0.00 H new ATOM 0 HA LEU A 20 30.594 20.575 22.157 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.626 22.945 21.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.252 22.306 21.853 1.00 0.00 H new ATOM 0 HG LEU A 20 31.967 22.144 19.191 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.888 24.192 18.319 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.722 23.101 19.104 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.287 24.559 19.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.182 24.346 19.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.679 24.677 20.765 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.782 23.325 20.418 1.00 0.00 H new ATOM 334 N PHE A 21 29.513 20.528 19.066 1.00 0.00 N ATOM 335 CA PHE A 21 28.296 20.302 18.299 1.00 0.00 C ATOM 336 C PHE A 21 27.603 19.000 18.716 1.00 0.00 C ATOM 337 O PHE A 21 26.431 19.053 19.089 1.00 0.00 O ATOM 338 CB PHE A 21 28.587 20.368 16.795 1.00 0.00 C ATOM 339 CG PHE A 21 27.388 20.088 15.909 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.131 20.660 16.193 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.524 19.234 14.800 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.017 20.361 15.394 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.408 18.936 14.001 1.00 0.00 C ATOM 344 CZ PHE A 21 25.152 19.490 14.302 1.00 0.00 C ATOM 0 H PHE A 21 30.373 20.460 18.522 1.00 0.00 H new ATOM 0 HA PHE A 21 27.591 21.103 18.523 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.976 21.358 16.556 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.373 19.651 16.558 1.00 0.00 H new ATOM 0 HD1 PHE A 21 26.025 21.333 17.031 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.487 18.807 14.563 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.057 20.801 15.619 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.516 18.278 13.151 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.293 19.246 13.695 1.00 0.00 H new ATOM 354 N ARG A 22 28.280 17.842 18.722 1.00 0.00 N ATOM 355 CA ARG A 22 27.636 16.545 19.029 1.00 0.00 C ATOM 356 C ARG A 22 27.109 16.436 20.469 1.00 0.00 C ATOM 357 O ARG A 22 26.089 15.777 20.694 1.00 0.00 O ATOM 358 CB ARG A 22 28.583 15.386 18.670 1.00 0.00 C ATOM 359 CG ARG A 22 29.670 15.157 19.725 1.00 0.00 C ATOM 360 CD ARG A 22 30.839 14.285 19.263 1.00 0.00 C ATOM 361 NE ARG A 22 31.879 14.190 20.304 1.00 0.00 N ATOM 362 CZ ARG A 22 31.761 13.616 21.485 1.00 0.00 C ATOM 363 NH1 ARG A 22 30.733 12.891 21.813 1.00 0.00 N ATOM 364 NH2 ARG A 22 32.681 13.780 22.384 1.00 0.00 N ATOM 0 H ARG A 22 29.277 17.772 18.518 1.00 0.00 H new ATOM 0 HA ARG A 22 26.745 16.479 18.404 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.001 14.472 18.550 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.054 15.592 17.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.060 16.125 20.041 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.215 14.695 20.601 1.00 0.00 H new ATOM 0 HD2 ARG A 22 30.476 13.287 19.016 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.269 14.702 18.353 1.00 0.00 H new ATOM 0 HE ARG A 22 32.782 14.612 20.088 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.976 12.748 21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.684 12.465 22.739 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.498 14.354 22.178 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.587 13.335 23.297 1.00 0.00 H new ATOM 378 N ILE A 23 27.757 17.103 21.431 1.00 0.00 N ATOM 379 CA ILE A 23 27.337 17.089 22.843 1.00 0.00 C ATOM 380 C ILE A 23 26.175 18.056 23.121 1.00 0.00 C ATOM 381 O ILE A 23 25.259 17.685 23.854 1.00 0.00 O ATOM 382 CB ILE A 23 28.532 17.248 23.814 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.302 18.582 23.688 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.503 16.065 23.641 1.00 0.00 C ATOM 385 CD1 ILE A 23 29.125 19.533 24.871 1.00 0.00 C ATOM 0 H ILE A 23 28.588 17.669 21.256 1.00 0.00 H new ATOM 0 HA ILE A 23 26.934 16.096 23.044 1.00 0.00 H new ATOM 0 HB ILE A 23 28.098 17.257 24.814 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.363 18.364 23.570 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.978 19.089 22.779 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.343 16.180 24.326 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.983 15.132 23.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.872 16.044 22.615 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.700 20.442 24.696 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.070 19.786 24.980 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.478 19.050 25.782 1.00 0.00 H new ATOM 397 N PHE A 24 26.113 19.226 22.472 1.00 0.00 N ATOM 398 CA PHE A 24 24.968 20.145 22.606 1.00 0.00 C ATOM 399 C PHE A 24 23.820 19.906 21.595 1.00 0.00 C ATOM 400 O PHE A 24 22.715 20.411 21.799 1.00 0.00 O ATOM 401 CB PHE A 24 25.464 21.597 22.577 1.00 0.00 C ATOM 402 CG PHE A 24 26.426 22.016 23.687 1.00 0.00 C ATOM 403 CD1 PHE A 24 26.144 21.729 25.039 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.572 22.774 23.374 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.985 22.211 26.061 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.425 23.235 24.394 1.00 0.00 C ATOM 407 CZ PHE A 24 28.124 22.965 25.740 1.00 0.00 C ATOM 0 H PHE A 24 26.844 19.562 21.846 1.00 0.00 H new ATOM 0 HA PHE A 24 24.513 19.931 23.573 1.00 0.00 H new ATOM 0 HB2 PHE A 24 25.954 21.770 21.619 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.595 22.254 22.614 1.00 0.00 H new ATOM 0 HD1 PHE A 24 25.278 21.136 25.292 1.00 0.00 H new ATOM 0 HD2 PHE A 24 27.798 23.003 22.343 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.753 22.000 27.094 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.312 23.797 24.142 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.767 23.336 26.524 1.00 0.00 H new ATOM 417 N SER A 25 24.031 19.097 20.547 1.00 0.00 N ATOM 418 CA SER A 25 23.039 18.772 19.500 1.00 0.00 C ATOM 419 C SER A 25 21.631 18.402 19.996 1.00 0.00 C ATOM 420 O SER A 25 20.683 18.953 19.439 1.00 0.00 O ATOM 421 CB SER A 25 23.530 17.624 18.609 1.00 0.00 C ATOM 422 OG SER A 25 24.471 18.085 17.665 1.00 0.00 O ATOM 0 H SER A 25 24.926 18.633 20.395 1.00 0.00 H new ATOM 0 HA SER A 25 22.947 19.710 18.952 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.980 16.846 19.226 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.683 17.171 18.093 1.00 0.00 H new ATOM 0 HG SER A 25 25.228 18.496 18.132 1.00 0.00 H new ATOM 428 N PRO A 26 21.418 17.531 21.008 1.00 0.00 N ATOM 429 CA PRO A 26 20.065 17.153 21.435 1.00 0.00 C ATOM 430 C PRO A 26 19.348 18.248 22.250 1.00 0.00 C ATOM 431 O PRO A 26 18.178 18.093 22.614 1.00 0.00 O ATOM 432 CB PRO A 26 20.254 15.868 22.243 1.00 0.00 C ATOM 433 CG PRO A 26 21.634 16.046 22.861 1.00 0.00 C ATOM 434 CD PRO A 26 22.407 16.771 21.765 1.00 0.00 C ATOM 0 HA PRO A 26 19.413 17.010 20.574 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.483 15.754 23.005 1.00 0.00 H new ATOM 0 HB3 PRO A 26 20.208 14.983 21.609 1.00 0.00 H new ATOM 0 HG2 PRO A 26 21.593 16.630 23.780 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.091 15.089 23.112 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.162 17.431 22.192 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.929 16.062 21.122 1.00 0.00 H new ATOM 442 N TYR A 27 20.030 19.353 22.556 1.00 0.00 N ATOM 443 CA TYR A 27 19.546 20.416 23.438 1.00 0.00 C ATOM 444 C TYR A 27 19.311 21.753 22.718 1.00 0.00 C ATOM 445 O TYR A 27 18.538 22.580 23.199 1.00 0.00 O ATOM 446 CB TYR A 27 20.545 20.557 24.590 1.00 0.00 C ATOM 447 CG TYR A 27 20.787 19.278 25.375 1.00 0.00 C ATOM 448 CD1 TYR A 27 19.705 18.616 25.990 1.00 0.00 C ATOM 449 CD2 TYR A 27 22.083 18.736 25.476 1.00 0.00 C ATOM 450 CE1 TYR A 27 19.920 17.421 26.703 1.00 0.00 C ATOM 451 CE2 TYR A 27 22.297 17.539 26.184 1.00 0.00 C ATOM 452 CZ TYR A 27 21.219 16.884 26.804 1.00 0.00 C ATOM 453 OH TYR A 27 21.420 15.738 27.508 1.00 0.00 O ATOM 0 H TYR A 27 20.962 19.538 22.186 1.00 0.00 H new ATOM 0 HA TYR A 27 18.563 20.137 23.816 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.496 20.907 24.189 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.185 21.326 25.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 18.709 19.026 25.914 1.00 0.00 H new ATOM 0 HD2 TYR A 27 22.915 19.241 25.008 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.089 16.916 27.173 1.00 0.00 H new ATOM 0 HE2 TYR A 27 23.291 17.123 26.251 1.00 0.00 H new ATOM 0 HH TYR A 27 22.370 15.500 27.481 1.00 0.00 H new ATOM 463 N GLY A 28 19.930 21.980 21.556 1.00 0.00 N ATOM 464 CA GLY A 28 19.836 23.264 20.861 1.00 0.00 C ATOM 465 C GLY A 28 20.197 23.235 19.377 1.00 0.00 C ATOM 466 O GLY A 28 20.567 22.194 18.831 1.00 0.00 O ATOM 0 H GLY A 28 20.504 21.287 21.076 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.817 23.639 20.962 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.490 23.978 21.362 1.00 0.00 H new ATOM 470 N HIS A 29 20.058 24.384 18.713 1.00 0.00 N ATOM 471 CA HIS A 29 20.195 24.503 17.252 1.00 0.00 C ATOM 472 C HIS A 29 21.596 24.907 16.753 1.00 0.00 C ATOM 473 O HIS A 29 21.889 24.636 15.596 1.00 0.00 O ATOM 474 CB HIS A 29 19.103 25.441 16.718 1.00 0.00 C ATOM 475 CG HIS A 29 17.705 25.049 17.127 1.00 0.00 C ATOM 476 ND1 HIS A 29 16.887 25.800 17.973 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.068 23.885 16.809 1.00 0.00 C ATOM 478 CE1 HIS A 29 15.778 25.063 18.150 1.00 0.00 C ATOM 479 NE2 HIS A 29 15.854 23.911 17.463 1.00 0.00 N ATOM 0 H HIS A 29 19.845 25.269 19.174 1.00 0.00 H new ATOM 0 HA HIS A 29 20.062 23.500 16.846 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.303 26.453 17.070 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.159 25.465 15.630 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.441 23.098 16.171 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.938 25.357 18.762 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.140 23.184 17.431 1.00 0.00 H new ATOM 487 N ILE A 30 22.486 25.446 17.605 1.00 0.00 N ATOM 488 CA ILE A 30 23.901 25.801 17.302 1.00 0.00 C ATOM 489 C ILE A 30 24.111 26.880 16.203 1.00 0.00 C ATOM 490 O ILE A 30 23.263 27.087 15.339 1.00 0.00 O ATOM 491 CB ILE A 30 24.743 24.506 17.073 1.00 0.00 C ATOM 492 CG1 ILE A 30 25.906 24.351 18.079 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.248 24.312 15.628 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.009 25.418 18.049 1.00 0.00 C ATOM 0 H ILE A 30 22.236 25.659 18.571 1.00 0.00 H new ATOM 0 HA ILE A 30 24.277 26.310 18.189 1.00 0.00 H new ATOM 0 HB ILE A 30 24.026 23.706 17.257 1.00 0.00 H new ATOM 0 HG12 ILE A 30 25.483 24.331 19.083 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.371 23.380 17.910 1.00 0.00 H new ATOM 0 HG21 ILE A 30 25.822 23.388 15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.397 24.258 14.949 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.882 25.153 15.348 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.760 25.187 18.805 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.477 25.430 17.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 26.575 26.396 18.256 1.00 0.00 H new ATOM 506 N MET A 31 25.270 27.558 16.223 1.00 0.00 N ATOM 507 CA MET A 31 25.790 28.385 15.119 1.00 0.00 C ATOM 508 C MET A 31 27.293 28.153 14.872 1.00 0.00 C ATOM 509 O MET A 31 27.643 27.450 13.924 1.00 0.00 O ATOM 510 CB MET A 31 25.490 29.885 15.324 1.00 0.00 C ATOM 511 CG MET A 31 24.093 30.327 14.901 1.00 0.00 C ATOM 512 SD MET A 31 23.931 30.565 13.120 1.00 0.00 S ATOM 513 CE MET A 31 23.033 29.070 12.629 1.00 0.00 C ATOM 0 H MET A 31 25.891 27.546 17.032 1.00 0.00 H new ATOM 0 HA MET A 31 25.258 28.062 14.224 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.628 30.127 16.378 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.223 30.466 14.765 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.368 29.582 15.229 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.844 31.258 15.410 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.529 29.244 11.678 1.00 0.00 H new ATOM 0 HE2 MET A 31 23.735 28.243 12.522 1.00 0.00 H new ATOM 0 HE3 MET A 31 22.294 28.822 13.391 1.00 0.00 H new ATOM 523 N GLN A 32 28.183 28.753 15.672 1.00 0.00 N ATOM 524 CA GLN A 32 29.620 28.929 15.371 1.00 0.00 C ATOM 525 C GLN A 32 30.482 28.942 16.649 1.00 0.00 C ATOM 526 O GLN A 32 29.944 28.976 17.751 1.00 0.00 O ATOM 527 CB GLN A 32 29.829 30.233 14.580 1.00 0.00 C ATOM 528 CG GLN A 32 29.170 30.205 13.193 1.00 0.00 C ATOM 529 CD GLN A 32 29.553 31.430 12.388 1.00 0.00 C ATOM 530 OE1 GLN A 32 28.841 32.425 12.361 1.00 0.00 O ATOM 531 NE2 GLN A 32 30.697 31.416 11.749 1.00 0.00 N ATOM 0 H GLN A 32 27.920 29.144 16.577 1.00 0.00 H new ATOM 0 HA GLN A 32 29.940 28.077 14.771 1.00 0.00 H new ATOM 0 HB2 GLN A 32 29.424 31.068 15.152 1.00 0.00 H new ATOM 0 HB3 GLN A 32 30.898 30.415 14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 32 29.474 29.305 12.659 1.00 0.00 H new ATOM 0 HG3 GLN A 32 28.086 30.160 13.302 1.00 0.00 H new ATOM 0 HE21 GLN A 32 31.286 30.584 11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 30.999 32.238 11.225 1.00 0.00 H new ATOM 540 N ILE A 33 31.816 28.899 16.532 1.00 0.00 N ATOM 541 CA ILE A 33 32.699 28.492 17.648 1.00 0.00 C ATOM 542 C ILE A 33 33.828 29.481 17.976 1.00 0.00 C ATOM 543 O ILE A 33 34.408 30.102 17.077 1.00 0.00 O ATOM 544 CB ILE A 33 33.253 27.068 17.400 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.320 27.005 16.282 1.00 0.00 C ATOM 546 CG2 ILE A 33 32.106 26.101 17.067 1.00 0.00 C ATOM 547 CD1 ILE A 33 35.756 27.009 16.821 1.00 0.00 C ATOM 0 H ILE A 33 32.314 29.141 15.675 1.00 0.00 H new ATOM 0 HA ILE A 33 32.069 28.494 18.538 1.00 0.00 H new ATOM 0 HB ILE A 33 33.745 26.771 18.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.163 26.104 15.689 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.187 27.855 15.613 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.510 25.103 16.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.403 26.070 17.900 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.590 26.443 16.170 1.00 0.00 H new ATOM 0 HD11 ILE A 33 36.457 26.963 15.988 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.928 27.922 17.391 1.00 0.00 H new ATOM 0 HD13 ILE A 33 35.904 26.144 17.468 1.00 0.00 H new ATOM 559 N ASN A 34 34.170 29.561 19.267 1.00 0.00 N ATOM 560 CA ASN A 34 35.386 30.165 19.822 1.00 0.00 C ATOM 561 C ASN A 34 35.763 29.408 21.122 1.00 0.00 C ATOM 562 O ASN A 34 34.898 29.176 21.970 1.00 0.00 O ATOM 563 CB ASN A 34 35.179 31.668 20.127 1.00 0.00 C ATOM 564 CG ASN A 34 34.369 32.467 19.117 1.00 0.00 C ATOM 565 OD1 ASN A 34 34.911 33.123 18.232 1.00 0.00 O ATOM 566 ND2 ASN A 34 33.062 32.451 19.233 1.00 0.00 N ATOM 0 H ASN A 34 33.567 29.182 19.997 1.00 0.00 H new ATOM 0 HA ASN A 34 36.189 30.085 19.089 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.691 31.754 21.098 1.00 0.00 H new ATOM 0 HB3 ASN A 34 36.160 32.134 20.221 1.00 0.00 H new ATOM 0 HD21 ASN A 34 32.486 32.987 18.584 1.00 0.00 H new ATOM 0 HD22 ASN A 34 32.622 31.902 19.972 1.00 0.00 H new ATOM 573 N ILE A 35 37.028 29.021 21.308 1.00 0.00 N ATOM 574 CA ILE A 35 37.558 28.385 22.533 1.00 0.00 C ATOM 575 C ILE A 35 38.930 28.998 22.854 1.00 0.00 C ATOM 576 O ILE A 35 39.758 29.188 21.957 1.00 0.00 O ATOM 577 CB ILE A 35 37.593 26.836 22.391 1.00 0.00 C ATOM 578 CG1 ILE A 35 36.143 26.284 22.422 1.00 0.00 C ATOM 579 CG2 ILE A 35 38.446 26.162 23.487 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.972 24.770 22.264 1.00 0.00 C ATOM 0 H ILE A 35 37.742 29.143 20.589 1.00 0.00 H new ATOM 0 HA ILE A 35 36.897 28.583 23.377 1.00 0.00 H new ATOM 0 HB ILE A 35 38.063 26.600 21.436 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.688 26.579 23.367 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.577 26.773 21.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 38.437 25.082 23.342 1.00 0.00 H new ATOM 0 HG22 ILE A 35 39.471 26.528 23.427 1.00 0.00 H new ATOM 0 HG23 ILE A 35 38.033 26.400 24.467 1.00 0.00 H new ATOM 0 HD11 ILE A 35 34.912 24.517 22.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 36.385 24.455 21.305 1.00 0.00 H new ATOM 0 HD13 ILE A 35 36.497 24.258 23.071 1.00 0.00 H new ATOM 592 N LYS A 36 39.174 29.328 24.129 1.00 0.00 N ATOM 593 CA LYS A 36 40.358 30.078 24.586 1.00 0.00 C ATOM 594 C LYS A 36 40.734 29.687 26.018 1.00 0.00 C ATOM 595 O LYS A 36 39.863 29.390 26.829 1.00 0.00 O ATOM 596 CB LYS A 36 40.051 31.582 24.463 1.00 0.00 C ATOM 597 CG LYS A 36 41.281 32.478 24.688 1.00 0.00 C ATOM 598 CD LYS A 36 41.005 33.976 24.518 1.00 0.00 C ATOM 599 CE LYS A 36 40.485 34.304 23.115 1.00 0.00 C ATOM 600 NZ LYS A 36 40.492 35.760 22.855 1.00 0.00 N ATOM 0 H LYS A 36 38.542 29.077 24.890 1.00 0.00 H new ATOM 0 HA LYS A 36 41.220 29.836 23.965 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.642 31.782 23.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 39.280 31.848 25.186 1.00 0.00 H new ATOM 0 HG2 LYS A 36 41.666 32.302 25.693 1.00 0.00 H new ATOM 0 HG3 LYS A 36 42.065 32.183 23.990 1.00 0.00 H new ATOM 0 HD2 LYS A 36 40.275 34.297 25.260 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.920 34.538 24.707 1.00 0.00 H new ATOM 0 HE2 LYS A 36 41.101 33.799 22.371 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.471 33.919 23.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.134 35.943 21.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 39.884 36.240 23.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.463 36.123 22.937 1.00 0.00 H new ATOM 614 N ASN A 37 42.025 29.699 26.345 1.00 0.00 N ATOM 615 CA ASN A 37 42.578 29.359 27.662 1.00 0.00 C ATOM 616 C ASN A 37 42.090 27.993 28.199 1.00 0.00 C ATOM 617 O ASN A 37 42.639 26.964 27.813 1.00 0.00 O ATOM 618 CB ASN A 37 42.397 30.561 28.609 1.00 0.00 C ATOM 619 CG ASN A 37 43.119 30.420 29.934 1.00 0.00 C ATOM 620 OD1 ASN A 37 43.858 29.478 30.200 1.00 0.00 O ATOM 621 ND2 ASN A 37 42.917 31.363 30.817 1.00 0.00 N ATOM 0 H ASN A 37 42.748 29.956 25.673 1.00 0.00 H new ATOM 0 HA ASN A 37 43.651 29.189 27.576 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.753 31.461 28.108 1.00 0.00 H new ATOM 0 HB3 ASN A 37 41.333 30.702 28.800 1.00 0.00 H new ATOM 0 HD21 ASN A 37 43.374 31.315 31.728 1.00 0.00 H new ATOM 0 HD22 ASN A 37 42.302 32.146 30.595 1.00 0.00 H new ATOM 628 N ALA A 38 41.044 27.973 29.034 1.00 0.00 N ATOM 629 CA ALA A 38 40.369 26.767 29.530 1.00 0.00 C ATOM 630 C ALA A 38 38.836 26.772 29.292 1.00 0.00 C ATOM 631 O ALA A 38 38.134 25.849 29.716 1.00 0.00 O ATOM 632 CB ALA A 38 40.722 26.608 31.017 1.00 0.00 C ATOM 0 H ALA A 38 40.628 28.831 29.397 1.00 0.00 H new ATOM 0 HA ALA A 38 40.725 25.908 28.962 1.00 0.00 H new ATOM 0 HB1 ALA A 38 40.233 25.718 31.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.802 26.508 31.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 40.381 27.485 31.568 1.00 0.00 H new ATOM 638 N PHE A 39 38.317 27.808 28.624 1.00 0.00 N ATOM 639 CA PHE A 39 36.901 28.171 28.556 1.00 0.00 C ATOM 640 C PHE A 39 36.353 28.149 27.114 1.00 0.00 C ATOM 641 O PHE A 39 37.105 28.174 26.135 1.00 0.00 O ATOM 642 CB PHE A 39 36.720 29.531 29.262 1.00 0.00 C ATOM 643 CG PHE A 39 37.208 30.757 28.511 1.00 0.00 C ATOM 644 CD1 PHE A 39 36.416 31.309 27.487 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.415 31.385 28.872 1.00 0.00 C ATOM 646 CE1 PHE A 39 36.832 32.471 26.817 1.00 0.00 C ATOM 647 CE2 PHE A 39 38.830 32.551 28.203 1.00 0.00 C ATOM 648 CZ PHE A 39 38.034 33.098 27.183 1.00 0.00 C ATOM 0 H PHE A 39 38.905 28.447 28.089 1.00 0.00 H new ATOM 0 HA PHE A 39 36.303 27.423 29.076 1.00 0.00 H new ATOM 0 HB2 PHE A 39 35.660 29.664 29.479 1.00 0.00 H new ATOM 0 HB3 PHE A 39 37.239 29.489 30.220 1.00 0.00 H new ATOM 0 HD1 PHE A 39 35.484 30.837 27.215 1.00 0.00 H new ATOM 0 HD2 PHE A 39 39.023 30.971 29.663 1.00 0.00 H new ATOM 0 HE1 PHE A 39 36.228 32.882 26.021 1.00 0.00 H new ATOM 0 HE2 PHE A 39 39.761 33.026 28.474 1.00 0.00 H new ATOM 0 HZ PHE A 39 38.347 34.001 26.680 1.00 0.00 H new ATOM 658 N GLY A 40 35.025 28.096 26.975 1.00 0.00 N ATOM 659 CA GLY A 40 34.327 28.072 25.686 1.00 0.00 C ATOM 660 C GLY A 40 33.366 29.248 25.504 1.00 0.00 C ATOM 661 O GLY A 40 32.593 29.567 26.403 1.00 0.00 O ATOM 0 H GLY A 40 34.391 28.068 27.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.062 28.083 24.881 1.00 0.00 H new ATOM 0 HA3 GLY A 40 33.771 27.139 25.598 1.00 0.00 H new ATOM 665 N PHE A 41 33.386 29.858 24.319 1.00 0.00 N ATOM 666 CA PHE A 41 32.519 30.962 23.899 1.00 0.00 C ATOM 667 C PHE A 41 31.887 30.588 22.545 1.00 0.00 C ATOM 668 O PHE A 41 32.474 30.750 21.477 1.00 0.00 O ATOM 669 CB PHE A 41 33.352 32.262 23.877 1.00 0.00 C ATOM 670 CG PHE A 41 32.854 33.371 22.961 1.00 0.00 C ATOM 671 CD1 PHE A 41 31.476 33.619 22.804 1.00 0.00 C ATOM 672 CD2 PHE A 41 33.784 34.102 22.195 1.00 0.00 C ATOM 673 CE1 PHE A 41 31.036 34.530 21.829 1.00 0.00 C ATOM 674 CE2 PHE A 41 33.343 35.039 21.246 1.00 0.00 C ATOM 675 CZ PHE A 41 31.967 35.234 21.047 1.00 0.00 C ATOM 0 H PHE A 41 34.041 29.582 23.587 1.00 0.00 H new ATOM 0 HA PHE A 41 31.696 31.138 24.592 1.00 0.00 H new ATOM 0 HB2 PHE A 41 33.400 32.654 24.893 1.00 0.00 H new ATOM 0 HB3 PHE A 41 34.371 32.009 23.584 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.760 33.110 23.432 1.00 0.00 H new ATOM 0 HD2 PHE A 41 34.842 33.941 22.339 1.00 0.00 H new ATOM 0 HE1 PHE A 41 29.978 34.690 21.680 1.00 0.00 H new ATOM 0 HE2 PHE A 41 34.060 35.607 20.672 1.00 0.00 H new ATOM 0 HZ PHE A 41 31.624 35.926 20.292 1.00 0.00 H new ATOM 685 N ILE A 42 30.678 30.033 22.577 1.00 0.00 N ATOM 686 CA ILE A 42 30.059 29.375 21.422 1.00 0.00 C ATOM 687 C ILE A 42 28.812 30.152 21.001 1.00 0.00 C ATOM 688 O ILE A 42 27.936 30.453 21.806 1.00 0.00 O ATOM 689 CB ILE A 42 29.791 27.884 21.728 1.00 0.00 C ATOM 690 CG1 ILE A 42 31.086 27.151 22.167 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.212 27.189 20.483 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.820 25.787 22.808 1.00 0.00 C ATOM 0 H ILE A 42 30.092 30.026 23.412 1.00 0.00 H new ATOM 0 HA ILE A 42 30.739 29.384 20.570 1.00 0.00 H new ATOM 0 HB ILE A 42 29.075 27.838 22.549 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.732 27.017 21.299 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.628 27.778 22.875 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.026 26.139 20.706 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.276 27.671 20.199 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.923 27.264 19.660 1.00 0.00 H new ATOM 0 HD11 ILE A 42 31.767 25.328 23.092 1.00 0.00 H new ATOM 0 HD12 ILE A 42 30.199 25.916 23.694 1.00 0.00 H new ATOM 0 HD13 ILE A 42 30.304 25.144 22.095 1.00 0.00 H new ATOM 704 N GLN A 43 28.716 30.476 19.719 1.00 0.00 N ATOM 705 CA GLN A 43 27.562 31.137 19.133 1.00 0.00 C ATOM 706 C GLN A 43 26.485 30.103 18.795 1.00 0.00 C ATOM 707 O GLN A 43 26.780 29.001 18.326 1.00 0.00 O ATOM 708 CB GLN A 43 28.034 31.929 17.914 1.00 0.00 C ATOM 709 CG GLN A 43 27.047 33.012 17.467 1.00 0.00 C ATOM 710 CD GLN A 43 27.632 33.909 16.380 1.00 0.00 C ATOM 711 OE1 GLN A 43 28.729 33.708 15.871 1.00 0.00 O ATOM 712 NE2 GLN A 43 26.930 34.950 16.004 1.00 0.00 N ATOM 0 H GLN A 43 29.456 30.282 19.044 1.00 0.00 H new ATOM 0 HA GLN A 43 27.106 31.835 19.835 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.993 32.395 18.143 1.00 0.00 H new ATOM 0 HB3 GLN A 43 28.204 31.240 17.087 1.00 0.00 H new ATOM 0 HG2 GLN A 43 26.136 32.541 17.097 1.00 0.00 H new ATOM 0 HG3 GLN A 43 26.764 33.621 18.326 1.00 0.00 H new ATOM 0 HE21 GLN A 43 26.016 35.126 16.421 1.00 0.00 H new ATOM 0 HE22 GLN A 43 27.298 35.584 15.294 1.00 0.00 H new ATOM 721 N PHE A 44 25.223 30.462 19.001 1.00 0.00 N ATOM 722 CA PHE A 44 24.067 29.574 18.935 1.00 0.00 C ATOM 723 C PHE A 44 22.900 30.180 18.149 1.00 0.00 C ATOM 724 O PHE A 44 22.918 31.350 17.777 1.00 0.00 O ATOM 725 CB PHE A 44 23.661 29.214 20.373 1.00 0.00 C ATOM 726 CG PHE A 44 24.117 27.837 20.795 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.469 27.592 21.082 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.178 26.799 20.906 1.00 0.00 C ATOM 729 CE1 PHE A 44 25.878 26.305 21.466 1.00 0.00 C ATOM 730 CE2 PHE A 44 23.582 25.519 21.318 1.00 0.00 C ATOM 731 CZ PHE A 44 24.935 25.276 21.598 1.00 0.00 C ATOM 0 H PHE A 44 24.966 31.422 19.229 1.00 0.00 H new ATOM 0 HA PHE A 44 24.341 28.672 18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.078 29.953 21.057 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.576 29.273 20.463 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.192 28.391 21.008 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.140 26.986 20.673 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.922 26.107 21.660 1.00 0.00 H new ATOM 0 HE2 PHE A 44 22.856 24.726 21.419 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.251 24.294 21.916 1.00 0.00 H new ATOM 741 N ASP A 45 21.862 29.375 17.941 1.00 0.00 N ATOM 742 CA ASP A 45 20.563 29.781 17.407 1.00 0.00 C ATOM 743 C ASP A 45 19.477 29.486 18.461 1.00 0.00 C ATOM 744 O ASP A 45 19.404 28.360 18.951 1.00 0.00 O ATOM 745 CB ASP A 45 20.348 29.034 16.082 1.00 0.00 C ATOM 746 CG ASP A 45 18.925 29.171 15.556 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.349 30.269 15.697 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.406 28.206 14.945 1.00 0.00 O ATOM 0 H ASP A 45 21.904 28.377 18.149 1.00 0.00 H new ATOM 0 HA ASP A 45 20.514 30.850 17.199 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.045 29.416 15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.579 27.978 16.223 1.00 0.00 H new ATOM 753 N ASN A 46 18.661 30.493 18.805 1.00 0.00 N ATOM 754 CA ASN A 46 17.740 30.573 19.959 1.00 0.00 C ATOM 755 C ASN A 46 18.434 30.642 21.350 1.00 0.00 C ATOM 756 O ASN A 46 19.526 30.099 21.533 1.00 0.00 O ATOM 757 CB ASN A 46 16.640 29.496 19.862 1.00 0.00 C ATOM 758 CG ASN A 46 15.880 29.581 18.554 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.088 30.488 18.346 1.00 0.00 O ATOM 760 ND2 ASN A 46 16.077 28.669 17.632 1.00 0.00 N ATOM 0 H ASN A 46 18.621 31.342 18.242 1.00 0.00 H new ATOM 0 HA ASN A 46 17.252 31.545 19.890 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.090 28.508 19.957 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.945 29.611 20.694 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.571 28.720 16.748 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.737 27.909 17.799 1.00 0.00 H new ATOM 767 N PRO A 47 17.824 31.278 22.379 1.00 0.00 N ATOM 768 CA PRO A 47 18.370 31.302 23.744 1.00 0.00 C ATOM 769 C PRO A 47 18.046 30.021 24.520 1.00 0.00 C ATOM 770 O PRO A 47 18.853 29.556 25.320 1.00 0.00 O ATOM 771 CB PRO A 47 17.726 32.517 24.405 1.00 0.00 C ATOM 772 CG PRO A 47 16.340 32.535 23.769 1.00 0.00 C ATOM 773 CD PRO A 47 16.615 32.096 22.326 1.00 0.00 C ATOM 0 HA PRO A 47 19.458 31.363 23.732 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.675 32.411 25.489 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.280 33.433 24.200 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.656 31.854 24.274 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.890 33.527 23.810 1.00 0.00 H new ATOM 0 HD2 PRO A 47 15.776 31.527 21.924 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.756 32.959 21.675 1.00 0.00 H new ATOM 781 N GLN A 48 16.906 29.391 24.223 1.00 0.00 N ATOM 782 CA GLN A 48 16.504 28.117 24.820 1.00 0.00 C ATOM 783 C GLN A 48 17.511 27.017 24.464 1.00 0.00 C ATOM 784 O GLN A 48 17.919 26.242 25.319 1.00 0.00 O ATOM 785 CB GLN A 48 15.090 27.742 24.365 1.00 0.00 C ATOM 786 CG GLN A 48 14.087 28.881 24.604 1.00 0.00 C ATOM 787 CD GLN A 48 12.645 28.490 24.321 1.00 0.00 C ATOM 788 OE1 GLN A 48 12.313 27.351 24.005 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.756 29.450 24.395 1.00 0.00 N ATOM 0 H GLN A 48 16.229 29.757 23.553 1.00 0.00 H new ATOM 0 HA GLN A 48 16.494 28.223 25.905 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.105 27.489 23.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.761 26.851 24.900 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.168 29.215 25.639 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.355 29.729 23.974 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.044 30.392 24.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.776 29.255 24.189 1.00 0.00 H new ATOM 798 N SER A 49 18.026 27.051 23.233 1.00 0.00 N ATOM 799 CA SER A 49 19.146 26.224 22.786 1.00 0.00 C ATOM 800 C SER A 49 20.429 26.422 23.588 1.00 0.00 C ATOM 801 O SER A 49 21.238 25.505 23.637 1.00 0.00 O ATOM 802 CB SER A 49 19.493 26.595 21.353 1.00 0.00 C ATOM 803 OG SER A 49 18.415 26.376 20.477 1.00 0.00 O ATOM 0 H SER A 49 17.667 27.668 22.504 1.00 0.00 H new ATOM 0 HA SER A 49 18.813 25.193 22.908 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.787 27.644 21.311 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.352 26.010 21.025 1.00 0.00 H new ATOM 0 HG SER A 49 18.524 26.934 19.679 1.00 0.00 H new ATOM 809 N VAL A 50 20.644 27.602 24.177 1.00 0.00 N ATOM 810 CA VAL A 50 21.833 27.905 24.981 1.00 0.00 C ATOM 811 C VAL A 50 21.648 27.437 26.413 1.00 0.00 C ATOM 812 O VAL A 50 22.501 26.701 26.908 1.00 0.00 O ATOM 813 CB VAL A 50 22.182 29.401 24.932 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.303 29.740 25.911 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.649 29.788 23.533 1.00 0.00 C ATOM 0 H VAL A 50 19.991 28.382 24.109 1.00 0.00 H new ATOM 0 HA VAL A 50 22.672 27.360 24.549 1.00 0.00 H new ATOM 0 HB VAL A 50 21.281 29.952 25.202 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.527 30.805 25.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.989 29.490 26.924 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.195 29.167 25.656 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.893 30.850 23.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.533 29.207 23.271 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.855 29.584 22.815 1.00 0.00 H new ATOM 825 N ARG A 51 20.542 27.813 27.077 1.00 0.00 N ATOM 826 CA ARG A 51 20.274 27.311 28.432 1.00 0.00 C ATOM 827 C ARG A 51 20.208 25.789 28.431 1.00 0.00 C ATOM 828 O ARG A 51 20.982 25.173 29.145 1.00 0.00 O ATOM 829 CB ARG A 51 19.055 27.962 29.111 1.00 0.00 C ATOM 830 CG ARG A 51 17.763 27.990 28.280 1.00 0.00 C ATOM 831 CD ARG A 51 16.519 27.651 29.107 1.00 0.00 C ATOM 832 NE ARG A 51 15.274 28.039 28.422 1.00 0.00 N ATOM 833 CZ ARG A 51 14.293 27.267 27.993 1.00 0.00 C ATOM 834 NH1 ARG A 51 14.378 25.980 27.826 1.00 0.00 N ATOM 835 NH2 ARG A 51 13.150 27.789 27.678 1.00 0.00 N ATOM 0 H ARG A 51 19.835 28.448 26.707 1.00 0.00 H new ATOM 0 HA ARG A 51 21.116 27.614 29.054 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.855 27.431 30.042 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.315 28.986 29.378 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.642 28.979 27.838 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.851 27.281 27.456 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.501 26.580 29.311 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.575 28.158 30.070 1.00 0.00 H new ATOM 0 HE ARG A 51 15.154 29.038 28.257 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.252 25.496 28.031 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.571 25.455 27.490 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.009 28.796 27.762 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.391 27.193 27.346 1.00 0.00 H new ATOM 849 N ASP A 52 19.413 25.169 27.562 1.00 0.00 N ATOM 850 CA ASP A 52 19.301 23.709 27.499 1.00 0.00 C ATOM 851 C ASP A 52 20.652 23.032 27.233 1.00 0.00 C ATOM 852 O ASP A 52 20.954 22.017 27.855 1.00 0.00 O ATOM 853 CB ASP A 52 18.320 23.310 26.394 1.00 0.00 C ATOM 854 CG ASP A 52 16.868 23.712 26.633 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.494 24.145 27.752 1.00 0.00 O ATOM 856 OD2 ASP A 52 16.056 23.517 25.698 1.00 0.00 O ATOM 0 H ASP A 52 18.830 25.659 26.884 1.00 0.00 H new ATOM 0 HA ASP A 52 18.941 23.373 28.471 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.653 23.756 25.457 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.364 22.228 26.266 1.00 0.00 H new ATOM 861 N ALA A 53 21.482 23.601 26.351 1.00 0.00 N ATOM 862 CA ALA A 53 22.820 23.090 26.082 1.00 0.00 C ATOM 863 C ALA A 53 23.680 23.048 27.353 1.00 0.00 C ATOM 864 O ALA A 53 24.114 21.966 27.752 1.00 0.00 O ATOM 865 CB ALA A 53 23.457 23.922 24.964 1.00 0.00 C ATOM 0 H ALA A 53 21.240 24.429 25.806 1.00 0.00 H new ATOM 0 HA ALA A 53 22.751 22.056 25.744 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.459 23.546 24.756 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.848 23.848 24.063 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.518 24.965 25.276 1.00 0.00 H new ATOM 871 N ILE A 54 23.901 24.184 28.023 1.00 0.00 N ATOM 872 CA ILE A 54 24.804 24.198 29.183 1.00 0.00 C ATOM 873 C ILE A 54 24.161 23.514 30.391 1.00 0.00 C ATOM 874 O ILE A 54 24.824 22.749 31.082 1.00 0.00 O ATOM 875 CB ILE A 54 25.294 25.603 29.604 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.446 26.681 28.507 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.667 25.405 30.275 1.00 0.00 C ATOM 878 CD1 ILE A 54 24.925 28.046 28.980 1.00 0.00 C ATOM 0 H ILE A 54 23.481 25.084 27.792 1.00 0.00 H new ATOM 0 HA ILE A 54 25.682 23.645 28.849 1.00 0.00 H new ATOM 0 HB ILE A 54 24.506 26.001 30.244 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.495 26.769 28.225 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.901 26.372 27.615 1.00 0.00 H new ATOM 0 HG21 ILE A 54 27.059 26.371 30.593 1.00 0.00 H new ATOM 0 HG22 ILE A 54 26.557 24.755 31.143 1.00 0.00 H new ATOM 0 HG23 ILE A 54 27.357 24.949 29.565 1.00 0.00 H new ATOM 0 HD11 ILE A 54 25.048 28.779 28.182 1.00 0.00 H new ATOM 0 HD12 ILE A 54 23.869 27.963 29.237 1.00 0.00 H new ATOM 0 HD13 ILE A 54 25.488 28.366 29.857 1.00 0.00 H new ATOM 890 N GLU A 55 22.876 23.754 30.647 1.00 0.00 N ATOM 891 CA GLU A 55 22.156 23.251 31.822 1.00 0.00 C ATOM 892 C GLU A 55 21.963 21.732 31.783 1.00 0.00 C ATOM 893 O GLU A 55 21.984 21.092 32.834 1.00 0.00 O ATOM 894 CB GLU A 55 20.773 23.919 31.910 1.00 0.00 C ATOM 895 CG GLU A 55 20.784 25.452 32.069 1.00 0.00 C ATOM 896 CD GLU A 55 20.907 25.885 33.522 1.00 0.00 C ATOM 897 OE1 GLU A 55 20.062 25.488 34.350 1.00 0.00 O ATOM 898 OE2 GLU A 55 21.867 26.609 33.890 1.00 0.00 O ATOM 0 H GLU A 55 22.290 24.317 30.030 1.00 0.00 H new ATOM 0 HA GLU A 55 22.762 23.494 32.695 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.210 23.669 31.011 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.234 23.488 32.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.614 25.868 31.498 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.868 25.865 31.646 1.00 0.00 H new ATOM 905 N CYS A 56 21.781 21.143 30.596 1.00 0.00 N ATOM 906 CA CYS A 56 21.450 19.727 30.449 1.00 0.00 C ATOM 907 C CYS A 56 22.661 18.861 30.053 1.00 0.00 C ATOM 908 O CYS A 56 22.755 17.718 30.511 1.00 0.00 O ATOM 909 CB CYS A 56 20.271 19.612 29.474 1.00 0.00 C ATOM 910 SG CYS A 56 19.212 18.206 29.910 1.00 0.00 S ATOM 0 H CYS A 56 21.860 21.640 29.709 1.00 0.00 H new ATOM 0 HA CYS A 56 21.152 19.322 31.416 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.687 20.532 29.492 1.00 0.00 H new ATOM 0 HB3 CYS A 56 20.644 19.491 28.457 1.00 0.00 H new ATOM 0 HG CYS A 56 19.180 17.364 28.920 1.00 0.00 H new ATOM 916 N GLU A 57 23.620 19.372 29.269 1.00 0.00 N ATOM 917 CA GLU A 57 24.868 18.649 28.966 1.00 0.00 C ATOM 918 C GLU A 57 25.957 18.904 30.011 1.00 0.00 C ATOM 919 O GLU A 57 26.527 17.944 30.533 1.00 0.00 O ATOM 920 CB GLU A 57 25.383 19.000 27.562 1.00 0.00 C ATOM 921 CG GLU A 57 26.648 18.245 27.125 1.00 0.00 C ATOM 922 CD GLU A 57 26.558 16.718 27.211 1.00 0.00 C ATOM 923 OE1 GLU A 57 25.496 16.135 26.910 1.00 0.00 O ATOM 924 OE2 GLU A 57 27.564 16.065 27.577 1.00 0.00 O ATOM 0 H GLU A 57 23.556 20.290 28.829 1.00 0.00 H new ATOM 0 HA GLU A 57 24.628 17.586 28.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.591 18.799 26.841 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.586 20.070 27.523 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.880 18.522 26.097 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.483 18.579 27.741 1.00 0.00 H new ATOM 931 N SER A 58 26.254 20.162 30.351 1.00 0.00 N ATOM 932 CA SER A 58 27.384 20.502 31.233 1.00 0.00 C ATOM 933 C SER A 58 26.988 20.506 32.714 1.00 0.00 C ATOM 934 O SER A 58 27.607 19.785 33.497 1.00 0.00 O ATOM 935 CB SER A 58 28.044 21.817 30.804 1.00 0.00 C ATOM 936 OG SER A 58 28.400 21.761 29.433 1.00 0.00 O ATOM 0 H SER A 58 25.724 20.971 30.027 1.00 0.00 H new ATOM 0 HA SER A 58 28.129 19.713 31.124 1.00 0.00 H new ATOM 0 HB2 SER A 58 27.361 22.649 30.976 1.00 0.00 H new ATOM 0 HB3 SER A 58 28.931 22.002 31.410 1.00 0.00 H new ATOM 0 HG SER A 58 28.819 22.607 29.169 1.00 0.00 H new ATOM 942 N GLN A 59 25.897 21.179 33.091 1.00 0.00 N ATOM 943 CA GLN A 59 25.339 21.222 34.452 1.00 0.00 C ATOM 944 C GLN A 59 26.417 21.606 35.495 1.00 0.00 C ATOM 945 O GLN A 59 27.292 22.411 35.188 1.00 0.00 O ATOM 946 CB GLN A 59 24.595 19.890 34.692 1.00 0.00 C ATOM 947 CG GLN A 59 23.450 19.969 35.711 1.00 0.00 C ATOM 948 CD GLN A 59 22.477 18.810 35.516 1.00 0.00 C ATOM 949 OE1 GLN A 59 22.533 17.780 36.176 1.00 0.00 O ATOM 950 NE2 GLN A 59 21.591 18.909 34.554 1.00 0.00 N ATOM 0 H GLN A 59 25.353 21.734 32.430 1.00 0.00 H new ATOM 0 HA GLN A 59 24.604 22.018 34.571 1.00 0.00 H new ATOM 0 HB2 GLN A 59 24.194 19.537 33.742 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.314 19.144 35.031 1.00 0.00 H new ATOM 0 HG2 GLN A 59 23.854 19.945 36.723 1.00 0.00 H new ATOM 0 HG3 GLN A 59 22.922 20.916 35.601 1.00 0.00 H new ATOM 0 HE21 GLN A 59 21.535 19.762 33.998 1.00 0.00 H new ATOM 0 HE22 GLN A 59 20.958 18.133 34.362 1.00 0.00 H new ATOM 959 N GLU A 60 26.368 21.051 36.711 1.00 0.00 N ATOM 960 CA GLU A 60 27.409 21.135 37.756 1.00 0.00 C ATOM 961 C GLU A 60 27.869 22.557 38.167 1.00 0.00 C ATOM 962 O GLU A 60 28.888 22.711 38.846 1.00 0.00 O ATOM 963 CB GLU A 60 28.576 20.180 37.426 1.00 0.00 C ATOM 964 CG GLU A 60 28.143 18.713 37.312 1.00 0.00 C ATOM 965 CD GLU A 60 29.319 17.820 36.922 1.00 0.00 C ATOM 966 OE1 GLU A 60 30.085 17.382 37.812 1.00 0.00 O ATOM 967 OE2 GLU A 60 29.487 17.520 35.717 1.00 0.00 O ATOM 0 H GLU A 60 25.563 20.502 37.014 1.00 0.00 H new ATOM 0 HA GLU A 60 26.923 20.797 38.671 1.00 0.00 H new ATOM 0 HB2 GLU A 60 29.036 20.490 36.488 1.00 0.00 H new ATOM 0 HB3 GLU A 60 29.339 20.268 38.200 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.728 18.378 38.263 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.351 18.621 36.569 1.00 0.00 H new ATOM 974 N MET A 61 27.098 23.600 37.832 1.00 0.00 N ATOM 975 CA MET A 61 27.253 24.944 38.403 1.00 0.00 C ATOM 976 C MET A 61 26.688 25.001 39.825 1.00 0.00 C ATOM 977 O MET A 61 27.183 25.767 40.655 1.00 0.00 O ATOM 978 CB MET A 61 26.588 25.999 37.500 1.00 0.00 C ATOM 979 CG MET A 61 26.837 27.440 37.993 1.00 0.00 C ATOM 980 SD MET A 61 25.846 28.748 37.222 1.00 0.00 S ATOM 981 CE MET A 61 26.433 30.170 38.194 1.00 0.00 C ATOM 0 H MET A 61 26.342 23.534 37.150 1.00 0.00 H new ATOM 0 HA MET A 61 28.318 25.170 38.458 1.00 0.00 H new ATOM 0 HB2 MET A 61 26.969 25.895 36.484 1.00 0.00 H new ATOM 0 HB3 MET A 61 25.515 25.813 37.459 1.00 0.00 H new ATOM 0 HG2 MET A 61 26.659 27.467 39.068 1.00 0.00 H new ATOM 0 HG3 MET A 61 27.890 27.675 37.838 1.00 0.00 H new ATOM 0 HE1 MET A 61 25.928 31.075 37.857 1.00 0.00 H new ATOM 0 HE2 MET A 61 26.215 30.004 39.249 1.00 0.00 H new ATOM 0 HE3 MET A 61 27.509 30.284 38.059 1.00 0.00 H new ATOM 991 N ASN A 62 25.675 24.189 40.116 1.00 0.00 N ATOM 992 CA ASN A 62 25.107 23.967 41.441 1.00 0.00 C ATOM 993 C ASN A 62 25.432 22.550 41.958 1.00 0.00 C ATOM 994 O ASN A 62 25.877 21.691 41.192 1.00 0.00 O ATOM 995 CB ASN A 62 23.597 24.244 41.360 1.00 0.00 C ATOM 996 CG ASN A 62 22.957 24.373 42.724 1.00 0.00 C ATOM 997 OD1 ASN A 62 23.609 24.656 43.719 1.00 0.00 O ATOM 998 ND2 ASN A 62 21.674 24.182 42.824 1.00 0.00 N ATOM 0 H ASN A 62 25.205 23.640 39.396 1.00 0.00 H new ATOM 0 HA ASN A 62 25.551 24.647 42.168 1.00 0.00 H new ATOM 0 HB2 ASN A 62 23.429 25.161 40.795 1.00 0.00 H new ATOM 0 HB3 ASN A 62 23.112 23.438 40.810 1.00 0.00 H new ATOM 0 HD21 ASN A 62 21.215 24.268 43.731 1.00 0.00 H new ATOM 0 HD22 ASN A 62 21.127 23.946 41.996 1.00 0.00 H new ATOM 1005 N PHE A 63 25.201 22.297 43.248 1.00 0.00 N ATOM 1006 CA PHE A 63 25.449 21.019 43.929 1.00 0.00 C ATOM 1007 C PHE A 63 26.869 20.447 43.697 1.00 0.00 C ATOM 1008 O PHE A 63 27.067 19.235 43.584 1.00 0.00 O ATOM 1009 CB PHE A 63 24.297 20.042 43.624 1.00 0.00 C ATOM 1010 CG PHE A 63 24.153 18.928 44.644 1.00 0.00 C ATOM 1011 CD1 PHE A 63 23.629 19.211 45.918 1.00 0.00 C ATOM 1012 CD2 PHE A 63 24.559 17.615 44.334 1.00 0.00 C ATOM 1013 CE1 PHE A 63 23.516 18.191 46.879 1.00 0.00 C ATOM 1014 CE2 PHE A 63 24.451 16.596 45.296 1.00 0.00 C ATOM 1015 CZ PHE A 63 23.927 16.884 46.568 1.00 0.00 C ATOM 0 H PHE A 63 24.820 23.005 43.875 1.00 0.00 H new ATOM 0 HA PHE A 63 25.448 21.196 45.005 1.00 0.00 H new ATOM 0 HB2 PHE A 63 23.362 20.601 43.576 1.00 0.00 H new ATOM 0 HB3 PHE A 63 24.457 19.602 42.640 1.00 0.00 H new ATOM 0 HD1 PHE A 63 23.312 20.215 46.159 1.00 0.00 H new ATOM 0 HD2 PHE A 63 24.954 17.391 43.354 1.00 0.00 H new ATOM 0 HE1 PHE A 63 23.113 18.412 47.856 1.00 0.00 H new ATOM 0 HE2 PHE A 63 24.770 15.592 45.058 1.00 0.00 H new ATOM 0 HZ PHE A 63 23.840 16.101 47.306 1.00 0.00 H new ATOM 1025 N GLY A 64 27.872 21.325 43.605 1.00 0.00 N ATOM 1026 CA GLY A 64 29.283 20.955 43.424 1.00 0.00 C ATOM 1027 C GLY A 64 30.171 22.032 42.787 1.00 0.00 C ATOM 1028 O GLY A 64 31.396 21.883 42.774 1.00 0.00 O ATOM 0 H GLY A 64 27.725 22.333 43.655 1.00 0.00 H new ATOM 0 HA2 GLY A 64 29.700 20.694 44.397 1.00 0.00 H new ATOM 0 HA3 GLY A 64 29.329 20.058 42.806 1.00 0.00 H new ATOM 1032 N LYS A 65 29.569 23.107 42.251 1.00 0.00 N ATOM 1033 CA LYS A 65 30.223 24.314 41.700 1.00 0.00 C ATOM 1034 C LYS A 65 31.467 24.077 40.825 1.00 0.00 C ATOM 1035 O LYS A 65 32.407 24.871 40.841 1.00 0.00 O ATOM 1036 CB LYS A 65 30.438 25.367 42.804 1.00 0.00 C ATOM 1037 CG LYS A 65 31.464 24.964 43.874 1.00 0.00 C ATOM 1038 CD LYS A 65 31.822 26.164 44.758 1.00 0.00 C ATOM 1039 CE LYS A 65 32.938 25.806 45.740 1.00 0.00 C ATOM 1040 NZ LYS A 65 34.240 25.606 45.074 1.00 0.00 N ATOM 0 H LYS A 65 28.553 23.164 42.185 1.00 0.00 H new ATOM 0 HA LYS A 65 29.517 24.714 40.973 1.00 0.00 H new ATOM 0 HB2 LYS A 65 30.761 26.300 42.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 29.483 25.566 43.290 1.00 0.00 H new ATOM 0 HG2 LYS A 65 31.059 24.160 44.489 1.00 0.00 H new ATOM 0 HG3 LYS A 65 32.364 24.577 43.395 1.00 0.00 H new ATOM 0 HD2 LYS A 65 32.137 27.000 44.133 1.00 0.00 H new ATOM 0 HD3 LYS A 65 30.940 26.491 45.308 1.00 0.00 H new ATOM 0 HE2 LYS A 65 33.032 26.599 46.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 32.666 24.898 46.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 34.992 25.551 45.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 34.218 24.722 44.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 34.429 26.404 44.435 1.00 0.00 H new ATOM 1054 N LYS A 66 31.492 22.983 40.058 1.00 0.00 N ATOM 1055 CA LYS A 66 32.641 22.575 39.232 1.00 0.00 C ATOM 1056 C LYS A 66 32.967 23.616 38.161 1.00 0.00 C ATOM 1057 O LYS A 66 34.140 23.822 37.842 1.00 0.00 O ATOM 1058 CB LYS A 66 32.343 21.184 38.643 1.00 0.00 C ATOM 1059 CG LYS A 66 33.390 20.715 37.621 1.00 0.00 C ATOM 1060 CD LYS A 66 33.039 19.364 36.996 1.00 0.00 C ATOM 1061 CE LYS A 66 33.301 18.196 37.948 1.00 0.00 C ATOM 1062 NZ LYS A 66 32.846 16.932 37.337 1.00 0.00 N ATOM 0 H LYS A 66 30.702 22.342 39.990 1.00 0.00 H new ATOM 0 HA LYS A 66 33.538 22.511 39.848 1.00 0.00 H new ATOM 0 HB2 LYS A 66 32.288 20.458 39.455 1.00 0.00 H new ATOM 0 HB3 LYS A 66 31.363 21.202 38.166 1.00 0.00 H new ATOM 0 HG2 LYS A 66 33.483 21.462 36.833 1.00 0.00 H new ATOM 0 HG3 LYS A 66 34.362 20.644 38.109 1.00 0.00 H new ATOM 0 HD2 LYS A 66 31.989 19.363 36.705 1.00 0.00 H new ATOM 0 HD3 LYS A 66 33.622 19.225 36.086 1.00 0.00 H new ATOM 0 HE2 LYS A 66 34.365 18.136 38.178 1.00 0.00 H new ATOM 0 HE3 LYS A 66 32.780 18.361 38.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 33.262 16.129 37.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 31.809 16.876 37.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 33.147 16.899 36.342 1.00 0.00 H new ATOM 1076 N LEU A 67 31.948 24.282 37.623 1.00 0.00 N ATOM 1077 CA LEU A 67 32.083 25.304 36.592 1.00 0.00 C ATOM 1078 C LEU A 67 31.105 26.468 36.789 1.00 0.00 C ATOM 1079 O LEU A 67 30.138 26.375 37.545 1.00 0.00 O ATOM 1080 CB LEU A 67 31.942 24.671 35.194 1.00 0.00 C ATOM 1081 CG LEU A 67 30.588 23.979 34.914 1.00 0.00 C ATOM 1082 CD1 LEU A 67 30.215 24.116 33.441 1.00 0.00 C ATOM 1083 CD2 LEU A 67 30.642 22.489 35.254 1.00 0.00 C ATOM 0 H LEU A 67 30.980 24.120 37.901 1.00 0.00 H new ATOM 0 HA LEU A 67 33.082 25.732 36.679 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.096 25.448 34.445 1.00 0.00 H new ATOM 0 HB3 LEU A 67 32.739 23.939 35.063 1.00 0.00 H new ATOM 0 HG LEU A 67 29.843 24.467 35.542 1.00 0.00 H new ATOM 0 HD11 LEU A 67 29.259 23.624 33.260 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.134 25.172 33.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 30.985 23.650 32.826 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.674 22.033 35.046 1.00 0.00 H new ATOM 0 HD22 LEU A 67 31.409 22.005 34.649 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.881 22.365 36.310 1.00 0.00 H new ATOM 1095 N ILE A 68 31.355 27.551 36.060 1.00 0.00 N ATOM 1096 CA ILE A 68 30.440 28.675 35.851 1.00 0.00 C ATOM 1097 C ILE A 68 30.051 28.717 34.364 1.00 0.00 C ATOM 1098 O ILE A 68 30.822 28.297 33.501 1.00 0.00 O ATOM 1099 CB ILE A 68 31.087 29.981 36.374 1.00 0.00 C ATOM 1100 CG1 ILE A 68 31.289 29.880 37.906 1.00 0.00 C ATOM 1101 CG2 ILE A 68 30.247 31.220 36.019 1.00 0.00 C ATOM 1102 CD1 ILE A 68 31.935 31.110 38.554 1.00 0.00 C ATOM 0 H ILE A 68 32.243 27.678 35.574 1.00 0.00 H new ATOM 0 HA ILE A 68 29.518 28.555 36.419 1.00 0.00 H new ATOM 0 HB ILE A 68 32.054 30.101 35.886 1.00 0.00 H new ATOM 0 HG12 ILE A 68 30.320 29.707 38.375 1.00 0.00 H new ATOM 0 HG13 ILE A 68 31.907 29.008 38.120 1.00 0.00 H new ATOM 0 HG21 ILE A 68 30.737 32.114 36.404 1.00 0.00 H new ATOM 0 HG22 ILE A 68 30.152 31.297 34.936 1.00 0.00 H new ATOM 0 HG23 ILE A 68 29.257 31.128 36.465 1.00 0.00 H new ATOM 0 HD11 ILE A 68 32.035 30.946 39.627 1.00 0.00 H new ATOM 0 HD12 ILE A 68 32.921 31.275 38.119 1.00 0.00 H new ATOM 0 HD13 ILE A 68 31.309 31.985 38.378 1.00 0.00 H new ATOM 1114 N LEU A 69 28.854 29.219 34.061 1.00 0.00 N ATOM 1115 CA LEU A 69 28.374 29.442 32.696 1.00 0.00 C ATOM 1116 C LEU A 69 27.729 30.820 32.523 1.00 0.00 C ATOM 1117 O LEU A 69 27.487 31.533 33.500 1.00 0.00 O ATOM 1118 CB LEU A 69 27.475 28.276 32.225 1.00 0.00 C ATOM 1119 CG LEU A 69 26.098 27.961 32.857 1.00 0.00 C ATOM 1120 CD1 LEU A 69 26.238 27.206 34.172 1.00 0.00 C ATOM 1121 CD2 LEU A 69 25.166 29.157 33.054 1.00 0.00 C ATOM 0 H LEU A 69 28.175 29.488 34.773 1.00 0.00 H new ATOM 0 HA LEU A 69 29.241 29.451 32.035 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.298 28.433 31.161 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.072 27.369 32.318 1.00 0.00 H new ATOM 0 HG LEU A 69 25.620 27.331 32.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 25.249 27.004 34.583 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.757 26.264 33.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.808 27.809 34.879 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.232 28.820 33.503 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.642 29.885 33.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.959 29.620 32.089 1.00 0.00 H new ATOM 1133 N GLU A 70 27.418 31.180 31.279 1.00 0.00 N ATOM 1134 CA GLU A 70 26.516 32.290 30.969 1.00 0.00 C ATOM 1135 C GLU A 70 25.670 31.989 29.725 1.00 0.00 C ATOM 1136 O GLU A 70 26.141 31.381 28.761 1.00 0.00 O ATOM 1137 CB GLU A 70 27.310 33.598 30.817 1.00 0.00 C ATOM 1138 CG GLU A 70 26.414 34.838 30.896 1.00 0.00 C ATOM 1139 CD GLU A 70 27.258 36.106 30.791 1.00 0.00 C ATOM 1140 OE1 GLU A 70 28.054 36.388 31.719 1.00 0.00 O ATOM 1141 OE2 GLU A 70 27.135 36.840 29.782 1.00 0.00 O ATOM 0 H GLU A 70 27.786 30.708 30.453 1.00 0.00 H new ATOM 0 HA GLU A 70 25.823 32.414 31.801 1.00 0.00 H new ATOM 0 HB2 GLU A 70 28.069 33.652 31.597 1.00 0.00 H new ATOM 0 HB3 GLU A 70 27.835 33.592 29.862 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.677 34.815 30.093 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.861 34.837 31.835 1.00 0.00 H new ATOM 1148 N VAL A 71 24.422 32.458 29.746 1.00 0.00 N ATOM 1149 CA VAL A 71 23.481 32.446 28.620 1.00 0.00 C ATOM 1150 C VAL A 71 23.166 33.887 28.217 1.00 0.00 C ATOM 1151 O VAL A 71 22.867 34.730 29.067 1.00 0.00 O ATOM 1152 CB VAL A 71 22.222 31.613 28.952 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.622 31.911 30.334 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.118 31.777 27.898 1.00 0.00 C ATOM 0 H VAL A 71 24.019 32.876 30.585 1.00 0.00 H new ATOM 0 HA VAL A 71 23.935 31.953 27.760 1.00 0.00 H new ATOM 0 HB VAL A 71 22.584 30.585 28.954 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.742 31.287 30.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.362 31.697 31.106 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.336 32.961 30.387 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.256 31.172 28.177 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.823 32.825 27.840 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.491 31.451 26.927 1.00 0.00 H new ATOM 1164 N SER A 72 23.244 34.195 26.923 1.00 0.00 N ATOM 1165 CA SER A 72 22.936 35.521 26.376 1.00 0.00 C ATOM 1166 C SER A 72 22.243 35.383 25.020 1.00 0.00 C ATOM 1167 O SER A 72 22.717 34.670 24.143 1.00 0.00 O ATOM 1168 CB SER A 72 24.231 36.343 26.301 1.00 0.00 C ATOM 1169 OG SER A 72 24.041 37.629 25.735 1.00 0.00 O ATOM 0 H SER A 72 23.527 33.521 26.212 1.00 0.00 H new ATOM 0 HA SER A 72 22.242 36.052 27.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.644 36.451 27.304 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.967 35.798 25.710 1.00 0.00 H new ATOM 0 HG SER A 72 24.896 38.107 25.714 1.00 0.00 H new ATOM 1175 N SER A 73 21.125 36.080 24.811 1.00 0.00 N ATOM 1176 CA SER A 73 20.337 36.017 23.566 1.00 0.00 C ATOM 1177 C SER A 73 20.963 36.784 22.385 1.00 0.00 C ATOM 1178 O SER A 73 20.268 37.071 21.412 1.00 0.00 O ATOM 1179 CB SER A 73 18.915 36.550 23.798 1.00 0.00 C ATOM 1180 OG SER A 73 18.241 35.927 24.878 1.00 0.00 O ATOM 0 H SER A 73 20.731 36.714 25.507 1.00 0.00 H new ATOM 0 HA SER A 73 20.319 34.962 23.294 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.965 37.623 23.983 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.331 36.410 22.888 1.00 0.00 H new ATOM 0 HG SER A 73 17.345 36.313 24.971 1.00 0.00 H new ATOM 1186 N SER A 74 22.228 37.214 22.473 1.00 0.00 N ATOM 1187 CA SER A 74 22.861 38.194 21.562 1.00 0.00 C ATOM 1188 C SER A 74 22.014 39.464 21.341 1.00 0.00 C ATOM 1189 O SER A 74 22.038 40.095 20.279 1.00 0.00 O ATOM 1190 CB SER A 74 23.297 37.540 20.243 1.00 0.00 C ATOM 1191 OG SER A 74 24.145 36.441 20.508 1.00 0.00 O ATOM 0 H SER A 74 22.864 36.884 23.199 1.00 0.00 H new ATOM 0 HA SER A 74 23.764 38.539 22.066 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.422 37.209 19.685 1.00 0.00 H new ATOM 0 HB3 SER A 74 23.816 38.269 19.620 1.00 0.00 H new ATOM 0 HG SER A 74 24.418 36.027 19.663 1.00 0.00 H new ATOM 1197 N ASN A 75 21.224 39.841 22.350 1.00 0.00 N ATOM 1198 CA ASN A 75 20.196 40.884 22.307 1.00 0.00 C ATOM 1199 C ASN A 75 20.669 42.183 22.996 1.00 0.00 C ATOM 1200 O ASN A 75 19.878 42.953 23.540 1.00 0.00 O ATOM 1201 CB ASN A 75 18.897 40.283 22.876 1.00 0.00 C ATOM 1202 CG ASN A 75 17.659 41.120 22.613 1.00 0.00 C ATOM 1203 OD1 ASN A 75 17.621 41.974 21.737 1.00 0.00 O ATOM 1204 ND2 ASN A 75 16.606 40.876 23.347 1.00 0.00 N ATOM 0 H ASN A 75 21.288 39.403 23.269 1.00 0.00 H new ATOM 0 HA ASN A 75 19.997 41.200 21.283 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.750 39.292 22.447 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.011 40.151 23.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.744 41.399 23.192 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.646 40.163 24.075 1.00 0.00 H new ATOM 1211 N ALA A 76 21.985 42.392 23.009 1.00 0.00 N ATOM 1212 CA ALA A 76 22.679 43.550 23.557 1.00 0.00 C ATOM 1213 C ALA A 76 23.847 43.960 22.639 1.00 0.00 C ATOM 1214 O ALA A 76 24.168 43.253 21.672 1.00 0.00 O ATOM 1215 CB ALA A 76 23.146 43.205 24.974 1.00 0.00 C ATOM 0 H ALA A 76 22.633 41.712 22.611 1.00 0.00 H new ATOM 0 HA ALA A 76 22.011 44.409 23.610 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.669 44.060 25.403 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.282 42.960 25.592 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.820 42.349 24.937 1.00 0.00 H new ATOM 1221 N ARG A 77 24.462 45.108 22.945 1.00 0.00 N ATOM 1222 CA ARG A 77 25.460 45.807 22.107 1.00 0.00 C ATOM 1223 C ARG A 77 24.966 46.000 20.674 1.00 0.00 C ATOM 1224 O ARG A 77 23.758 46.286 20.541 1.00 0.00 O ATOM 1225 CB ARG A 77 26.844 45.141 22.244 1.00 0.00 C ATOM 1226 CG ARG A 77 27.279 45.085 23.714 1.00 0.00 C ATOM 1227 CD ARG A 77 28.720 44.607 23.878 1.00 0.00 C ATOM 1228 NE ARG A 77 29.042 44.471 25.304 1.00 0.00 N ATOM 1229 CZ ARG A 77 29.968 43.718 25.847 1.00 0.00 C ATOM 1230 NH1 ARG A 77 30.856 43.070 25.160 1.00 0.00 N ATOM 1231 NH2 ARG A 77 30.018 43.579 27.132 1.00 0.00 N ATOM 0 H ARG A 77 24.275 45.601 23.818 1.00 0.00 H new ATOM 0 HA ARG A 77 25.592 46.824 22.476 1.00 0.00 H new ATOM 0 HB2 ARG A 77 26.810 44.133 21.832 1.00 0.00 H new ATOM 0 HB3 ARG A 77 27.580 45.698 21.663 1.00 0.00 H new ATOM 0 HG2 ARG A 77 27.175 46.075 24.159 1.00 0.00 H new ATOM 0 HG3 ARG A 77 26.613 44.418 24.262 1.00 0.00 H new ATOM 0 HD2 ARG A 77 28.855 43.651 23.373 1.00 0.00 H new ATOM 0 HD3 ARG A 77 29.403 45.315 23.408 1.00 0.00 H new ATOM 0 HE ARG A 77 28.479 45.027 25.948 1.00 0.00 H new ATOM 0 HH11 ARG A 77 30.858 43.131 24.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 31.553 42.499 25.638 1.00 0.00 H new ATOM 0 HH21 ARG A 77 29.337 44.055 27.723 1.00 0.00 H new ATOM 0 HH22 ARG A 77 30.738 42.993 27.554 1.00 0.00 H new TER 1245 ARG A 77