USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 944 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 118 MET CE :methyl -177:sc= -5.08! (180deg=-5.1!) USER MOD Set 1.2: A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 114 THR OG1 : rot -83:sc= 1.2 USER MOD Set 2.2: A 117 GLN : amide:sc= 0.883 K(o=2.1,f=1.4) USER MOD Set 3.1: A 34 SER OG : rot 92:sc= -0.294 USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 74 THR OG1 : rot 30:sc= -2.08! USER MOD Set 4.2: A 81 GLN : amide:sc= -1.05 K(o=-3.4,f=-4!) USER MOD Set 4.3: A 83 ASN : amide:sc= -0.226 K(o=-3.4,f=-4.3) USER MOD Set 5.1: A 33 GLN : amide:sc= 0.289 K(o=0.53,f=-2.8) USER MOD Set 5.2: A 35 SER OG : rot 140:sc= 0.245 USER MOD Set 5.3: A 88 MET CE :methyl 170:sc=-0.00223 (180deg=-0.00223) USER MOD Set 6.1: A 9 LYS NZ :NH3+ -117:sc= 0.172 (180deg=-0.054) USER MOD Set 6.2: A 22 THR OG1 : rot 108:sc= 0.787 USER MOD Set 7.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 13 ASN :FLIP amide:sc= -0.283 F(o=-2.3!,f=-0.28) USER MOD Set 8.1: A 8 LYS NZ :NH3+ -144:sc= 2.07 (180deg=-0.111) USER MOD Set 8.2: A 23 TYR OH : rot -147:sc= 1.85 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00168 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 1.29 (180deg=0.864) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.995) USER MOD Single : A 32 LYS NZ :NH3+ -119:sc= 0.0797 (180deg=-0.325) USER MOD Single : A 37 THR OG1 : rot -102:sc= -3.14! USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.13) USER MOD Single : A 40 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.027) USER MOD Single : A 43 SER OG : rot 140:sc=-0.00369 USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.165 USER MOD Single : A 48 THR OG1 : rot -71:sc= 1.96 USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= 1.34 (180deg=0.367) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -2.26! (180deg=-4.65!) USER MOD Single : A 55 THR OG1 : rot 76:sc= 0.231 USER MOD Single : A 60 SER OG : rot -73:sc= -0.539 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc=-0.00618 (180deg=-0.11) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc=-0.00525 (180deg=-0.103) USER MOD Single : A 75 TYR OH : rot -145:sc= -4.4! USER MOD Single : A 76 THR OG1 : rot 160:sc= 0.474 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 110 LYS NZ :NH3+ 137:sc= -0.547 (180deg=-2.53!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -107:sc= -2.14 (180deg=-4.2!) USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.12) USER MOD Single : A 128 LYS NZ :NH3+ -144:sc= 1.12 (180deg=0.252) USER MOD Single : A 131 LYS NZ :NH3+ 169:sc= -0.0472 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 5 12.646 -0.314 13.855 1.00 0.00 N ATOM 62 CA GLU A 5 11.743 -0.554 12.746 1.00 0.00 C ATOM 63 C GLU A 5 11.571 0.744 11.962 1.00 0.00 C ATOM 64 O GLU A 5 11.006 1.719 12.466 1.00 0.00 O ATOM 65 CB GLU A 5 10.383 -1.067 13.230 1.00 0.00 C ATOM 66 CG GLU A 5 10.442 -2.326 14.087 1.00 0.00 C ATOM 67 CD GLU A 5 10.771 -2.041 15.539 1.00 0.00 C ATOM 68 OE1 GLU A 5 10.027 -1.271 16.181 1.00 0.00 O ATOM 69 OE2 GLU A 5 11.774 -2.585 16.043 1.00 0.00 O ATOM 0 HA GLU A 5 12.170 -1.325 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.896 -0.278 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.755 -1.265 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.483 -2.841 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.191 -3.003 13.677 1.00 0.00 H new ATOM 76 N GLU A 6 12.051 0.746 10.732 1.00 0.00 N ATOM 77 CA GLU A 6 12.120 1.961 9.937 1.00 0.00 C ATOM 78 C GLU A 6 10.928 2.045 8.996 1.00 0.00 C ATOM 79 O GLU A 6 10.263 1.044 8.738 1.00 0.00 O ATOM 80 CB GLU A 6 13.421 1.980 9.136 1.00 0.00 C ATOM 81 CG GLU A 6 14.676 1.998 9.997 1.00 0.00 C ATOM 82 CD GLU A 6 14.820 3.284 10.783 1.00 0.00 C ATOM 83 OE1 GLU A 6 14.988 4.350 10.152 1.00 0.00 O ATOM 84 OE2 GLU A 6 14.779 3.243 12.024 1.00 0.00 O ATOM 0 H GLU A 6 12.402 -0.086 10.258 1.00 0.00 H new ATOM 0 HA GLU A 6 12.097 2.822 10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.450 1.104 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.424 2.856 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.652 1.155 10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.551 1.864 9.361 1.00 0.00 H new ATOM 91 N SER A 7 10.664 3.235 8.477 1.00 0.00 N ATOM 92 CA SER A 7 9.504 3.437 7.629 1.00 0.00 C ATOM 93 C SER A 7 9.882 4.143 6.328 1.00 0.00 C ATOM 94 O SER A 7 10.525 5.193 6.335 1.00 0.00 O ATOM 95 CB SER A 7 8.442 4.242 8.386 1.00 0.00 C ATOM 96 OG SER A 7 7.219 4.296 7.670 1.00 0.00 O ATOM 0 H SER A 7 11.233 4.068 8.628 1.00 0.00 H new ATOM 0 HA SER A 7 9.096 2.460 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.272 3.792 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.807 5.254 8.560 1.00 0.00 H new ATOM 0 HG SER A 7 6.563 4.815 8.181 1.00 0.00 H new ATOM 102 N LYS A 8 9.501 3.534 5.219 1.00 0.00 N ATOM 103 CA LYS A 8 9.633 4.147 3.908 1.00 0.00 C ATOM 104 C LYS A 8 8.255 4.422 3.348 1.00 0.00 C ATOM 105 O LYS A 8 7.383 3.553 3.359 1.00 0.00 O ATOM 106 CB LYS A 8 10.404 3.241 2.950 1.00 0.00 C ATOM 107 CG LYS A 8 11.913 3.407 2.988 1.00 0.00 C ATOM 108 CD LYS A 8 12.343 4.748 2.415 1.00 0.00 C ATOM 109 CE LYS A 8 11.884 4.932 0.973 1.00 0.00 C ATOM 110 NZ LYS A 8 12.436 3.896 0.060 1.00 0.00 N ATOM 0 H LYS A 8 9.091 2.600 5.201 1.00 0.00 H new ATOM 0 HA LYS A 8 10.189 5.079 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.161 2.203 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.058 3.432 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.263 3.321 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.383 2.602 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.936 5.551 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.429 4.830 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.795 4.901 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.187 5.919 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.641 4.323 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.312 3.508 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.741 3.131 -0.058 1.00 0.00 H new ATOM 124 N LYS A 9 8.063 5.623 2.857 1.00 0.00 N ATOM 125 CA LYS A 9 6.763 6.056 2.402 1.00 0.00 C ATOM 126 C LYS A 9 6.853 6.573 0.974 1.00 0.00 C ATOM 127 O LYS A 9 7.647 7.469 0.679 1.00 0.00 O ATOM 128 CB LYS A 9 6.260 7.147 3.348 1.00 0.00 C ATOM 129 CG LYS A 9 4.831 7.606 3.113 1.00 0.00 C ATOM 130 CD LYS A 9 4.436 8.637 4.161 1.00 0.00 C ATOM 131 CE LYS A 9 3.045 9.194 3.922 1.00 0.00 C ATOM 132 NZ LYS A 9 1.992 8.144 4.002 1.00 0.00 N ATOM 0 H LYS A 9 8.798 6.324 2.762 1.00 0.00 H new ATOM 0 HA LYS A 9 6.063 5.220 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.343 6.783 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.920 8.011 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.738 8.035 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.154 6.753 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.478 8.181 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.158 9.453 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.836 9.971 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.009 9.667 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.521 8.053 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.427 7.235 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.291 8.409 4.723 1.00 0.00 H new ATOM 146 N PHE A 10 6.081 5.987 0.079 1.00 0.00 N ATOM 147 CA PHE A 10 5.983 6.505 -1.272 1.00 0.00 C ATOM 148 C PHE A 10 4.523 6.739 -1.604 1.00 0.00 C ATOM 149 O PHE A 10 3.640 6.205 -0.933 1.00 0.00 O ATOM 150 CB PHE A 10 6.651 5.564 -2.296 1.00 0.00 C ATOM 151 CG PHE A 10 5.790 4.443 -2.812 1.00 0.00 C ATOM 152 CD1 PHE A 10 4.859 4.671 -3.815 1.00 0.00 C ATOM 153 CD2 PHE A 10 5.925 3.163 -2.313 1.00 0.00 C ATOM 154 CE1 PHE A 10 4.079 3.647 -4.303 1.00 0.00 C ATOM 155 CE2 PHE A 10 5.150 2.131 -2.801 1.00 0.00 C ATOM 156 CZ PHE A 10 4.223 2.375 -3.798 1.00 0.00 C ATOM 0 H PHE A 10 5.516 5.157 0.261 1.00 0.00 H new ATOM 0 HA PHE A 10 6.522 7.451 -1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.986 6.160 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.541 5.132 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.745 5.666 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.645 2.967 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.355 3.842 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.267 1.133 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.614 1.569 -4.179 1.00 0.00 H new ATOM 166 N SER A 11 4.264 7.533 -2.626 1.00 0.00 N ATOM 167 CA SER A 11 2.902 7.853 -2.989 1.00 0.00 C ATOM 168 C SER A 11 2.826 8.173 -4.468 1.00 0.00 C ATOM 169 O SER A 11 3.425 9.139 -4.943 1.00 0.00 O ATOM 170 CB SER A 11 2.379 9.026 -2.153 1.00 0.00 C ATOM 171 OG SER A 11 0.974 9.171 -2.291 1.00 0.00 O ATOM 0 H SER A 11 4.976 7.965 -3.215 1.00 0.00 H new ATOM 0 HA SER A 11 2.271 6.988 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.629 8.868 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.874 9.946 -2.464 1.00 0.00 H new ATOM 0 HG SER A 11 0.668 9.926 -1.746 1.00 0.00 H new ATOM 177 N ALA A 12 2.100 7.348 -5.196 1.00 0.00 N ATOM 178 CA ALA A 12 1.927 7.545 -6.619 1.00 0.00 C ATOM 179 C ALA A 12 0.513 8.011 -6.905 1.00 0.00 C ATOM 180 O ALA A 12 -0.447 7.259 -6.739 1.00 0.00 O ATOM 181 CB ALA A 12 2.235 6.265 -7.376 1.00 0.00 C ATOM 0 H ALA A 12 1.618 6.531 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 12 2.624 8.312 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.099 6.433 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.266 5.967 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.561 5.475 -7.044 1.00 0.00 H new ATOM 187 N ASN A 13 0.389 9.270 -7.294 1.00 0.00 N ATOM 188 CA ASN A 13 -0.910 9.840 -7.617 1.00 0.00 C ATOM 189 C ASN A 13 -1.207 9.626 -9.091 1.00 0.00 C ATOM 190 O ASN A 13 -0.878 10.460 -9.936 1.00 0.00 O ATOM 191 CB ASN A 13 -0.964 11.337 -7.274 1.00 0.00 C ATOM 192 CG ASN A 13 -0.998 11.618 -5.778 1.00 0.00 C ATOM 193 OD1 ASN A 13 -0.375 10.758 -4.983 1.00 0.00 O flip ATOM 194 ND2 ASN A 13 -1.576 12.609 -5.340 1.00 0.00 N flip ATOM 0 H ASN A 13 1.171 9.917 -7.394 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.667 9.335 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.096 11.832 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.847 11.776 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.045 13.250 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.587 12.791 -4.336 1.00 0.00 H new ATOM 201 N LEU A 14 -1.797 8.489 -9.398 1.00 0.00 N ATOM 202 CA LEU A 14 -2.091 8.140 -10.772 1.00 0.00 C ATOM 203 C LEU A 14 -3.592 8.077 -11.000 1.00 0.00 C ATOM 204 O LEU A 14 -4.327 7.522 -10.180 1.00 0.00 O ATOM 205 CB LEU A 14 -1.394 6.822 -11.158 1.00 0.00 C ATOM 206 CG LEU A 14 -1.489 5.675 -10.137 1.00 0.00 C ATOM 207 CD1 LEU A 14 -2.796 4.910 -10.284 1.00 0.00 C ATOM 208 CD2 LEU A 14 -0.300 4.733 -10.284 1.00 0.00 C ATOM 0 H LEU A 14 -2.083 7.790 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.696 8.920 -11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.816 6.476 -12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.340 7.033 -11.338 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.469 6.112 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.832 4.106 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.634 5.588 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.859 4.487 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.382 3.927 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.291 4.313 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.624 5.285 -10.113 1.00 0.00 H new ATOM 220 N ASN A 15 -4.041 8.719 -12.081 1.00 0.00 N ATOM 221 CA ASN A 15 -5.455 8.721 -12.487 1.00 0.00 C ATOM 222 C ASN A 15 -6.306 9.611 -11.574 1.00 0.00 C ATOM 223 O ASN A 15 -7.280 10.221 -12.020 1.00 0.00 O ATOM 224 CB ASN A 15 -6.013 7.290 -12.519 1.00 0.00 C ATOM 225 CG ASN A 15 -7.440 7.217 -13.031 1.00 0.00 C ATOM 226 OD1 ASN A 15 -8.397 7.309 -12.264 1.00 0.00 O ATOM 227 ND2 ASN A 15 -7.588 7.044 -14.334 1.00 0.00 N ATOM 0 H ASN A 15 -3.436 9.254 -12.703 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.506 9.138 -13.493 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.375 6.672 -13.151 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.972 6.868 -11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.523 6.982 -14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.767 6.973 -14.935 1.00 0.00 H new ATOM 234 N GLY A 16 -5.925 9.694 -10.309 1.00 0.00 N ATOM 235 CA GLY A 16 -6.666 10.483 -9.345 1.00 0.00 C ATOM 236 C GLY A 16 -6.596 9.876 -7.961 1.00 0.00 C ATOM 237 O GLY A 16 -6.972 10.504 -6.972 1.00 0.00 O ATOM 0 H GLY A 16 -5.105 9.223 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.267 11.497 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.707 10.558 -9.658 1.00 0.00 H new ATOM 241 N THR A 17 -6.109 8.647 -7.896 1.00 0.00 N ATOM 242 CA THR A 17 -5.970 7.941 -6.634 1.00 0.00 C ATOM 243 C THR A 17 -4.540 8.053 -6.106 1.00 0.00 C ATOM 244 O THR A 17 -3.577 7.882 -6.859 1.00 0.00 O ATOM 245 CB THR A 17 -6.342 6.453 -6.807 1.00 0.00 C ATOM 246 OG1 THR A 17 -7.690 6.342 -7.283 1.00 0.00 O ATOM 247 CG2 THR A 17 -6.197 5.689 -5.497 1.00 0.00 C ATOM 0 H THR A 17 -5.801 8.115 -8.710 1.00 0.00 H new ATOM 0 HA THR A 17 -6.648 8.399 -5.914 1.00 0.00 H new ATOM 0 HB THR A 17 -5.657 6.016 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.921 5.396 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.467 4.644 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.165 5.750 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.856 6.125 -4.746 1.00 0.00 H new ATOM 255 N GLU A 18 -4.401 8.359 -4.821 1.00 0.00 N ATOM 256 CA GLU A 18 -3.087 8.406 -4.195 1.00 0.00 C ATOM 257 C GLU A 18 -2.725 7.030 -3.665 1.00 0.00 C ATOM 258 O GLU A 18 -3.321 6.559 -2.699 1.00 0.00 O ATOM 259 CB GLU A 18 -3.048 9.394 -3.026 1.00 0.00 C ATOM 260 CG GLU A 18 -3.728 10.726 -3.286 1.00 0.00 C ATOM 261 CD GLU A 18 -3.471 11.725 -2.173 1.00 0.00 C ATOM 262 OE1 GLU A 18 -2.696 11.403 -1.245 1.00 0.00 O ATOM 263 OE2 GLU A 18 -4.047 12.831 -2.213 1.00 0.00 O ATOM 0 H GLU A 18 -5.177 8.577 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.377 8.732 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.517 8.927 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.007 9.580 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.371 11.136 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.802 10.570 -3.392 1.00 0.00 H new ATOM 270 N ILE A 19 -1.768 6.377 -4.293 1.00 0.00 N ATOM 271 CA ILE A 19 -1.294 5.104 -3.788 1.00 0.00 C ATOM 272 C ILE A 19 -0.132 5.333 -2.839 1.00 0.00 C ATOM 273 O ILE A 19 1.008 5.524 -3.266 1.00 0.00 O ATOM 274 CB ILE A 19 -0.864 4.147 -4.920 1.00 0.00 C ATOM 275 CG1 ILE A 19 -2.033 3.905 -5.880 1.00 0.00 C ATOM 276 CG2 ILE A 19 -0.368 2.827 -4.339 1.00 0.00 C ATOM 277 CD1 ILE A 19 -1.720 2.915 -6.979 1.00 0.00 C ATOM 0 H ILE A 19 -1.308 6.701 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.122 4.631 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.047 4.607 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.890 3.545 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.325 4.854 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.068 2.163 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.486 3.014 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.167 2.360 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.594 2.794 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.883 3.283 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.457 1.953 -6.538 1.00 0.00 H new ATOM 289 N ALA A 20 -0.440 5.361 -1.553 1.00 0.00 N ATOM 290 CA ALA A 20 0.561 5.608 -0.533 1.00 0.00 C ATOM 291 C ALA A 20 0.925 4.325 0.182 1.00 0.00 C ATOM 292 O ALA A 20 0.176 3.846 1.029 1.00 0.00 O ATOM 293 CB ALA A 20 0.064 6.635 0.469 1.00 0.00 C ATOM 0 H ALA A 20 -1.382 5.214 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 20 1.451 6.000 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.830 6.806 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.152 7.571 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.843 6.267 0.948 1.00 0.00 H new ATOM 299 N ILE A 21 2.059 3.756 -0.166 1.00 0.00 N ATOM 300 CA ILE A 21 2.521 2.566 0.515 1.00 0.00 C ATOM 301 C ILE A 21 3.602 2.929 1.520 1.00 0.00 C ATOM 302 O ILE A 21 4.749 3.201 1.157 1.00 0.00 O ATOM 303 CB ILE A 21 3.030 1.483 -0.458 1.00 0.00 C ATOM 304 CG1 ILE A 21 1.905 1.073 -1.415 1.00 0.00 C ATOM 305 CG2 ILE A 21 3.547 0.274 0.314 1.00 0.00 C ATOM 306 CD1 ILE A 21 2.289 -0.035 -2.373 1.00 0.00 C ATOM 0 H ILE A 21 2.672 4.093 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 21 1.665 2.140 1.037 1.00 0.00 H new ATOM 0 HB ILE A 21 3.855 1.891 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.043 0.752 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.594 1.945 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.902 -0.481 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.367 0.580 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.742 -0.143 0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.441 -0.269 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.131 0.289 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.571 -0.923 -1.808 1.00 0.00 H new ATOM 318 N THR A 22 3.198 2.984 2.775 1.00 0.00 N ATOM 319 CA THR A 22 4.104 3.240 3.871 1.00 0.00 C ATOM 320 C THR A 22 4.559 1.908 4.460 1.00 0.00 C ATOM 321 O THR A 22 3.869 1.312 5.289 1.00 0.00 O ATOM 322 CB THR A 22 3.415 4.082 4.964 1.00 0.00 C ATOM 323 OG1 THR A 22 2.574 5.082 4.360 1.00 0.00 O ATOM 324 CG2 THR A 22 4.444 4.762 5.851 1.00 0.00 C ATOM 0 H THR A 22 2.228 2.851 3.061 1.00 0.00 H new ATOM 0 HA THR A 22 4.963 3.798 3.499 1.00 0.00 H new ATOM 0 HB THR A 22 2.809 3.413 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.633 4.841 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.935 5.350 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.067 4.007 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.070 5.418 5.246 1.00 0.00 H new ATOM 332 N TYR A 23 5.692 1.416 4.001 1.00 0.00 N ATOM 333 CA TYR A 23 6.150 0.104 4.416 1.00 0.00 C ATOM 334 C TYR A 23 7.226 0.200 5.493 1.00 0.00 C ATOM 335 O TYR A 23 8.179 0.975 5.387 1.00 0.00 O ATOM 336 CB TYR A 23 6.626 -0.726 3.210 1.00 0.00 C ATOM 337 CG TYR A 23 7.602 -0.031 2.284 1.00 0.00 C ATOM 338 CD1 TYR A 23 7.154 0.838 1.298 1.00 0.00 C ATOM 339 CD2 TYR A 23 8.970 -0.253 2.387 1.00 0.00 C ATOM 340 CE1 TYR A 23 8.037 1.473 0.448 1.00 0.00 C ATOM 341 CE2 TYR A 23 9.862 0.376 1.538 1.00 0.00 C ATOM 342 CZ TYR A 23 9.389 1.241 0.569 1.00 0.00 C ATOM 343 OH TYR A 23 10.270 1.896 -0.265 1.00 0.00 O ATOM 0 H TYR A 23 6.308 1.899 3.347 1.00 0.00 H new ATOM 0 HA TYR A 23 5.301 -0.417 4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.091 -1.639 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.753 -1.026 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.095 1.021 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.343 -0.928 3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.669 2.149 -0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.922 0.193 1.631 1.00 0.00 H new ATOM 0 HH TYR A 23 11.038 1.316 -0.450 1.00 0.00 H new ATOM 353 N VAL A 24 7.031 -0.585 6.544 1.00 0.00 N ATOM 354 CA VAL A 24 7.953 -0.647 7.660 1.00 0.00 C ATOM 355 C VAL A 24 8.934 -1.791 7.458 1.00 0.00 C ATOM 356 O VAL A 24 8.540 -2.949 7.284 1.00 0.00 O ATOM 357 CB VAL A 24 7.202 -0.823 9.002 1.00 0.00 C ATOM 358 CG1 VAL A 24 8.156 -1.199 10.127 1.00 0.00 C ATOM 359 CG2 VAL A 24 6.460 0.455 9.355 1.00 0.00 C ATOM 0 H VAL A 24 6.222 -1.199 6.643 1.00 0.00 H new ATOM 0 HA VAL A 24 8.498 0.296 7.701 1.00 0.00 H new ATOM 0 HB VAL A 24 6.486 -1.636 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.596 -1.315 11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.654 -2.138 9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.902 -0.414 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.935 0.321 10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.172 1.275 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.740 0.687 8.570 1.00 0.00 H new ATOM 369 N TYR A 25 10.206 -1.458 7.472 1.00 0.00 N ATOM 370 CA TYR A 25 11.248 -2.431 7.228 1.00 0.00 C ATOM 371 C TYR A 25 12.253 -2.414 8.365 1.00 0.00 C ATOM 372 O TYR A 25 12.352 -1.433 9.102 1.00 0.00 O ATOM 373 CB TYR A 25 11.955 -2.138 5.901 1.00 0.00 C ATOM 374 CG TYR A 25 12.707 -0.822 5.879 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.032 0.383 5.738 1.00 0.00 C ATOM 376 CD2 TYR A 25 14.092 -0.786 5.994 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.711 1.585 5.712 1.00 0.00 C ATOM 378 CE2 TYR A 25 14.780 0.413 5.971 1.00 0.00 C ATOM 379 CZ TYR A 25 14.085 1.596 5.831 1.00 0.00 C ATOM 380 OH TYR A 25 14.765 2.796 5.802 1.00 0.00 O ATOM 0 H TYR A 25 10.545 -0.513 7.651 1.00 0.00 H new ATOM 0 HA TYR A 25 10.792 -3.420 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.653 -2.947 5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.215 -2.135 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.956 0.380 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.640 -1.710 6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.169 2.512 5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.856 0.423 6.062 1.00 0.00 H new ATOM 0 HH TYR A 25 15.726 2.630 5.899 1.00 0.00 H new ATOM 390 N LYS A 26 12.988 -3.496 8.505 1.00 0.00 N ATOM 391 CA LYS A 26 14.025 -3.581 9.515 1.00 0.00 C ATOM 392 C LYS A 26 15.216 -4.332 8.942 1.00 0.00 C ATOM 393 O LYS A 26 15.114 -5.516 8.610 1.00 0.00 O ATOM 394 CB LYS A 26 13.488 -4.271 10.770 1.00 0.00 C ATOM 395 CG LYS A 26 14.271 -3.936 12.022 1.00 0.00 C ATOM 396 CD LYS A 26 13.599 -4.484 13.267 1.00 0.00 C ATOM 397 CE LYS A 26 14.268 -3.956 14.522 1.00 0.00 C ATOM 398 NZ LYS A 26 13.597 -4.442 15.754 1.00 0.00 N ATOM 0 H LYS A 26 12.887 -4.333 7.931 1.00 0.00 H new ATOM 0 HA LYS A 26 14.345 -2.579 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.446 -3.986 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.505 -5.350 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.278 -4.345 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.373 -2.854 12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.545 -4.206 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.642 -5.573 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.314 -4.264 14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.257 -2.866 14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.315 -4.725 16.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.009 -3.682 16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.997 -5.259 15.523 1.00 0.00 H new ATOM 412 N GLY A 27 16.337 -3.636 8.812 1.00 0.00 N ATOM 413 CA GLY A 27 17.461 -4.182 8.083 1.00 0.00 C ATOM 414 C GLY A 27 17.131 -4.284 6.608 1.00 0.00 C ATOM 415 O GLY A 27 16.568 -3.351 6.033 1.00 0.00 O ATOM 0 H GLY A 27 16.487 -2.704 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.337 -3.549 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.714 -5.167 8.475 1.00 0.00 H new ATOM 419 N ASP A 28 17.448 -5.409 5.986 1.00 0.00 N ATOM 420 CA ASP A 28 17.032 -5.629 4.610 1.00 0.00 C ATOM 421 C ASP A 28 15.856 -6.595 4.584 1.00 0.00 C ATOM 422 O ASP A 28 15.980 -7.749 4.167 1.00 0.00 O ATOM 423 CB ASP A 28 18.174 -6.158 3.738 1.00 0.00 C ATOM 424 CG ASP A 28 17.880 -6.008 2.252 1.00 0.00 C ATOM 425 OD1 ASP A 28 16.844 -6.529 1.782 1.00 0.00 O ATOM 426 OD2 ASP A 28 18.690 -5.374 1.548 1.00 0.00 O ATOM 0 H ASP A 28 17.982 -6.171 6.403 1.00 0.00 H new ATOM 0 HA ASP A 28 16.731 -4.668 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 28 19.092 -5.623 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.347 -7.209 3.968 1.00 0.00 H new ATOM 431 N LYS A 29 14.727 -6.126 5.089 1.00 0.00 N ATOM 432 CA LYS A 29 13.499 -6.903 5.095 1.00 0.00 C ATOM 433 C LYS A 29 12.336 -5.991 5.440 1.00 0.00 C ATOM 434 O LYS A 29 12.345 -5.337 6.481 1.00 0.00 O ATOM 435 CB LYS A 29 13.576 -8.048 6.121 1.00 0.00 C ATOM 436 CG LYS A 29 12.792 -9.295 5.724 1.00 0.00 C ATOM 437 CD LYS A 29 11.295 -9.033 5.645 1.00 0.00 C ATOM 438 CE LYS A 29 10.528 -10.261 5.176 1.00 0.00 C ATOM 439 NZ LYS A 29 10.575 -11.364 6.169 1.00 0.00 N ATOM 0 H LYS A 29 14.636 -5.199 5.505 1.00 0.00 H new ATOM 0 HA LYS A 29 13.356 -7.338 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.621 -8.321 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.203 -7.688 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.148 -9.653 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.983 -10.087 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.928 -8.728 6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.107 -8.205 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.490 -9.989 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.944 -10.608 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.984 -12.154 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.557 -11.689 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.217 -11.023 7.084 1.00 0.00 H new ATOM 453 N VAL A 30 11.352 -5.932 4.562 1.00 0.00 N ATOM 454 CA VAL A 30 10.140 -5.186 4.838 1.00 0.00 C ATOM 455 C VAL A 30 9.142 -6.114 5.515 1.00 0.00 C ATOM 456 O VAL A 30 8.788 -7.154 4.963 1.00 0.00 O ATOM 457 CB VAL A 30 9.523 -4.601 3.554 1.00 0.00 C ATOM 458 CG1 VAL A 30 8.416 -3.625 3.900 1.00 0.00 C ATOM 459 CG2 VAL A 30 10.588 -3.926 2.701 1.00 0.00 C ATOM 0 H VAL A 30 11.369 -6.392 3.652 1.00 0.00 H new ATOM 0 HA VAL A 30 10.388 -4.348 5.490 1.00 0.00 H new ATOM 0 HB VAL A 30 9.095 -5.419 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.989 -3.219 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.639 -4.141 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.823 -2.812 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.129 -3.520 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.050 -3.118 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.349 -4.656 2.424 1.00 0.00 H new ATOM 469 N LEU A 31 8.723 -5.766 6.720 1.00 0.00 N ATOM 470 CA LEU A 31 7.895 -6.669 7.508 1.00 0.00 C ATOM 471 C LEU A 31 6.428 -6.257 7.477 1.00 0.00 C ATOM 472 O LEU A 31 5.545 -7.077 7.723 1.00 0.00 O ATOM 473 CB LEU A 31 8.396 -6.751 8.957 1.00 0.00 C ATOM 474 CG LEU A 31 9.881 -7.092 9.110 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.722 -5.828 9.129 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.131 -7.911 10.363 1.00 0.00 C ATOM 0 H LEU A 31 8.938 -4.877 7.171 1.00 0.00 H new ATOM 0 HA LEU A 31 7.975 -7.658 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.206 -5.796 9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.810 -7.502 9.486 1.00 0.00 H new ATOM 0 HG LEU A 31 10.174 -7.693 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.774 -6.092 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.580 -5.283 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.417 -5.200 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.194 -8.137 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.813 -7.344 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.565 -8.841 10.309 1.00 0.00 H new ATOM 488 N LYS A 32 6.159 -4.991 7.175 1.00 0.00 N ATOM 489 CA LYS A 32 4.780 -4.519 7.091 1.00 0.00 C ATOM 490 C LYS A 32 4.612 -3.550 5.931 1.00 0.00 C ATOM 491 O LYS A 32 5.245 -2.502 5.893 1.00 0.00 O ATOM 492 CB LYS A 32 4.346 -3.833 8.391 1.00 0.00 C ATOM 493 CG LYS A 32 4.566 -4.670 9.642 1.00 0.00 C ATOM 494 CD LYS A 32 3.901 -4.045 10.857 1.00 0.00 C ATOM 495 CE LYS A 32 2.390 -4.197 10.804 1.00 0.00 C ATOM 496 NZ LYS A 32 1.968 -5.624 10.888 1.00 0.00 N ATOM 0 H LYS A 32 6.867 -4.281 6.986 1.00 0.00 H new ATOM 0 HA LYS A 32 4.148 -5.392 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.893 -2.896 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.288 -3.579 8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.168 -5.673 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.635 -4.776 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.283 -4.514 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.160 -2.988 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.941 -3.637 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.014 -3.762 9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.450 -5.884 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.808 -6.229 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.350 -5.755 11.714 1.00 0.00 H new ATOM 510 N GLN A 33 3.743 -3.898 5.001 1.00 0.00 N ATOM 511 CA GLN A 33 3.504 -3.072 3.828 1.00 0.00 C ATOM 512 C GLN A 33 2.142 -2.391 3.925 1.00 0.00 C ATOM 513 O GLN A 33 1.111 -3.013 3.669 1.00 0.00 O ATOM 514 CB GLN A 33 3.576 -3.931 2.564 1.00 0.00 C ATOM 515 CG GLN A 33 3.344 -3.160 1.278 1.00 0.00 C ATOM 516 CD GLN A 33 3.364 -4.050 0.050 1.00 0.00 C ATOM 517 OE1 GLN A 33 4.064 -5.059 0.006 1.00 0.00 O ATOM 518 NE2 GLN A 33 2.585 -3.684 -0.953 1.00 0.00 N ATOM 0 H GLN A 33 3.187 -4.752 5.034 1.00 0.00 H new ATOM 0 HA GLN A 33 4.273 -2.301 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.555 -4.409 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.836 -4.728 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.384 -2.648 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.110 -2.391 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.019 -2.839 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.550 -4.247 -1.803 1.00 0.00 H new ATOM 527 N SER A 34 2.126 -1.127 4.319 1.00 0.00 N ATOM 528 CA SER A 34 0.877 -0.393 4.418 1.00 0.00 C ATOM 529 C SER A 34 0.548 0.277 3.091 1.00 0.00 C ATOM 530 O SER A 34 1.048 1.352 2.789 1.00 0.00 O ATOM 531 CB SER A 34 0.949 0.652 5.532 1.00 0.00 C ATOM 532 OG SER A 34 1.467 0.087 6.726 1.00 0.00 O ATOM 0 H SER A 34 2.957 -0.593 4.573 1.00 0.00 H new ATOM 0 HA SER A 34 0.085 -1.101 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.579 1.483 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.045 1.059 5.719 1.00 0.00 H new ATOM 0 HG SER A 34 2.439 0.209 6.751 1.00 0.00 H new ATOM 538 N SER A 35 -0.276 -0.378 2.300 1.00 0.00 N ATOM 539 CA SER A 35 -0.678 0.142 1.009 1.00 0.00 C ATOM 540 C SER A 35 -2.024 0.835 1.138 1.00 0.00 C ATOM 541 O SER A 35 -3.060 0.180 1.230 1.00 0.00 O ATOM 542 CB SER A 35 -0.762 -0.999 -0.008 1.00 0.00 C ATOM 543 OG SER A 35 0.423 -1.781 0.006 1.00 0.00 O ATOM 0 H SER A 35 -0.685 -1.283 2.532 1.00 0.00 H new ATOM 0 HA SER A 35 0.061 0.864 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.621 -1.630 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.921 -0.591 -1.006 1.00 0.00 H new ATOM 0 HG SER A 35 0.190 -2.729 -0.081 1.00 0.00 H new ATOM 549 N GLU A 36 -2.004 2.153 1.188 1.00 0.00 N ATOM 550 CA GLU A 36 -3.212 2.918 1.421 1.00 0.00 C ATOM 551 C GLU A 36 -3.598 3.684 0.155 1.00 0.00 C ATOM 552 O GLU A 36 -2.886 4.599 -0.266 1.00 0.00 O ATOM 553 CB GLU A 36 -2.975 3.892 2.572 1.00 0.00 C ATOM 554 CG GLU A 36 -2.115 3.328 3.699 1.00 0.00 C ATOM 555 CD GLU A 36 -1.313 4.402 4.420 1.00 0.00 C ATOM 556 OE1 GLU A 36 -1.822 5.534 4.572 1.00 0.00 O ATOM 557 OE2 GLU A 36 -0.168 4.118 4.843 1.00 0.00 O ATOM 0 H GLU A 36 -1.162 2.717 1.070 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.027 2.242 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.498 4.791 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.939 4.195 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.755 2.815 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.432 2.583 3.291 1.00 0.00 H new ATOM 564 N THR A 37 -4.705 3.299 -0.461 1.00 0.00 N ATOM 565 CA THR A 37 -5.160 3.943 -1.682 1.00 0.00 C ATOM 566 C THR A 37 -6.191 5.032 -1.380 1.00 0.00 C ATOM 567 O THR A 37 -7.336 4.747 -1.030 1.00 0.00 O ATOM 568 CB THR A 37 -5.756 2.911 -2.659 1.00 0.00 C ATOM 569 OG1 THR A 37 -6.686 2.071 -1.969 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.661 2.063 -3.284 1.00 0.00 C ATOM 0 H THR A 37 -5.306 2.542 -0.134 1.00 0.00 H new ATOM 0 HA THR A 37 -4.292 4.408 -2.150 1.00 0.00 H new ATOM 0 HB THR A 37 -6.272 3.448 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.265 1.207 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.106 1.342 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.971 2.705 -3.831 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.120 1.532 -2.501 1.00 0.00 H new ATOM 578 N LYS A 38 -5.770 6.283 -1.493 1.00 0.00 N ATOM 579 CA LYS A 38 -6.654 7.413 -1.254 1.00 0.00 C ATOM 580 C LYS A 38 -7.389 7.777 -2.537 1.00 0.00 C ATOM 581 O LYS A 38 -6.877 8.537 -3.363 1.00 0.00 O ATOM 582 CB LYS A 38 -5.859 8.612 -0.739 1.00 0.00 C ATOM 583 CG LYS A 38 -6.716 9.773 -0.264 1.00 0.00 C ATOM 584 CD LYS A 38 -5.852 10.962 0.123 1.00 0.00 C ATOM 585 CE LYS A 38 -4.850 10.593 1.206 1.00 0.00 C ATOM 586 NZ LYS A 38 -3.716 11.548 1.262 1.00 0.00 N ATOM 0 H LYS A 38 -4.817 6.541 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.385 7.133 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.223 8.285 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.199 8.963 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.410 10.064 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.317 9.461 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.321 11.329 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.487 11.775 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.353 10.570 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.469 9.589 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.923 11.116 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.413 11.784 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.016 12.415 1.752 1.00 0.00 H new ATOM 600 N ILE A 39 -8.574 7.217 -2.709 1.00 0.00 N ATOM 601 CA ILE A 39 -9.349 7.422 -3.920 1.00 0.00 C ATOM 602 C ILE A 39 -10.289 8.611 -3.755 1.00 0.00 C ATOM 603 O ILE A 39 -11.037 8.692 -2.781 1.00 0.00 O ATOM 604 CB ILE A 39 -10.178 6.168 -4.278 1.00 0.00 C ATOM 605 CG1 ILE A 39 -9.299 4.915 -4.234 1.00 0.00 C ATOM 606 CG2 ILE A 39 -10.800 6.327 -5.657 1.00 0.00 C ATOM 607 CD1 ILE A 39 -10.051 3.631 -4.505 1.00 0.00 C ATOM 0 H ILE A 39 -9.023 6.613 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.644 7.619 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.976 6.057 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.499 5.018 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.827 4.848 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.382 5.437 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.453 7.200 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.012 6.458 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.361 2.788 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.834 3.503 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.501 3.675 -5.497 1.00 0.00 H new ATOM 619 N GLN A 40 -10.237 9.540 -4.698 1.00 0.00 N ATOM 620 CA GLN A 40 -11.115 10.700 -4.662 1.00 0.00 C ATOM 621 C GLN A 40 -12.494 10.328 -5.197 1.00 0.00 C ATOM 622 O GLN A 40 -12.614 9.451 -6.060 1.00 0.00 O ATOM 623 CB GLN A 40 -10.537 11.849 -5.494 1.00 0.00 C ATOM 624 CG GLN A 40 -9.115 12.252 -5.122 1.00 0.00 C ATOM 625 CD GLN A 40 -8.955 12.599 -3.654 1.00 0.00 C ATOM 626 OE1 GLN A 40 -9.188 13.736 -3.245 1.00 0.00 O ATOM 627 NE2 GLN A 40 -8.521 11.634 -2.857 1.00 0.00 N ATOM 0 H GLN A 40 -9.599 9.514 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.201 11.028 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.556 11.563 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.186 12.718 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.436 11.436 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.818 13.110 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.339 10.704 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.369 11.821 -1.866 1.00 0.00 H new ATOM 636 N PHE A 41 -13.531 11.011 -4.716 1.00 0.00 N ATOM 637 CA PHE A 41 -14.907 10.746 -5.154 1.00 0.00 C ATOM 638 C PHE A 41 -15.175 11.308 -6.548 1.00 0.00 C ATOM 639 O PHE A 41 -16.319 11.596 -6.903 1.00 0.00 O ATOM 640 CB PHE A 41 -15.915 11.339 -4.169 1.00 0.00 C ATOM 641 CG PHE A 41 -16.214 10.464 -2.983 1.00 0.00 C ATOM 642 CD1 PHE A 41 -15.195 9.947 -2.206 1.00 0.00 C ATOM 643 CD2 PHE A 41 -17.525 10.165 -2.645 1.00 0.00 C ATOM 644 CE1 PHE A 41 -15.472 9.153 -1.112 1.00 0.00 C ATOM 645 CE2 PHE A 41 -17.808 9.373 -1.550 1.00 0.00 C ATOM 646 CZ PHE A 41 -16.779 8.866 -0.784 1.00 0.00 C ATOM 0 H PHE A 41 -13.448 11.754 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 41 -15.025 9.663 -5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.536 12.296 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -16.846 11.542 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -14.168 10.167 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -18.334 10.556 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.665 8.757 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -18.833 9.151 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 41 -16.998 8.245 0.072 1.00 0.00 H new ATOM 656 N ALA A 42 -14.125 11.453 -7.338 1.00 0.00 N ATOM 657 CA ALA A 42 -14.261 11.867 -8.723 1.00 0.00 C ATOM 658 C ALA A 42 -13.554 10.876 -9.637 1.00 0.00 C ATOM 659 O ALA A 42 -13.621 10.980 -10.859 1.00 0.00 O ATOM 660 CB ALA A 42 -13.702 13.268 -8.920 1.00 0.00 C ATOM 0 H ALA A 42 -13.163 11.289 -7.041 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.320 11.884 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.813 13.561 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.246 13.969 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.646 13.280 -8.650 1.00 0.00 H new ATOM 666 N SER A 43 -12.878 9.907 -9.031 1.00 0.00 N ATOM 667 CA SER A 43 -12.109 8.932 -9.787 1.00 0.00 C ATOM 668 C SER A 43 -12.640 7.517 -9.556 1.00 0.00 C ATOM 669 O SER A 43 -12.378 6.607 -10.348 1.00 0.00 O ATOM 670 CB SER A 43 -10.640 9.011 -9.365 1.00 0.00 C ATOM 671 OG SER A 43 -10.214 10.362 -9.270 1.00 0.00 O ATOM 0 H SER A 43 -12.848 9.777 -8.020 1.00 0.00 H new ATOM 0 HA SER A 43 -12.203 9.160 -10.849 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.506 8.514 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.020 8.480 -10.087 1.00 0.00 H new ATOM 0 HG SER A 43 -9.636 10.468 -8.486 1.00 0.00 H new ATOM 677 N ILE A 44 -13.399 7.346 -8.480 1.00 0.00 N ATOM 678 CA ILE A 44 -13.873 6.027 -8.075 1.00 0.00 C ATOM 679 C ILE A 44 -15.191 5.658 -8.752 1.00 0.00 C ATOM 680 O ILE A 44 -15.394 4.512 -9.148 1.00 0.00 O ATOM 681 CB ILE A 44 -14.026 5.942 -6.535 1.00 0.00 C ATOM 682 CG1 ILE A 44 -14.669 4.613 -6.121 1.00 0.00 C ATOM 683 CG2 ILE A 44 -14.835 7.119 -6.002 1.00 0.00 C ATOM 684 CD1 ILE A 44 -14.770 4.421 -4.621 1.00 0.00 C ATOM 0 H ILE A 44 -13.700 8.106 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.120 5.308 -8.397 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.029 5.989 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.668 4.554 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.089 3.793 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.928 7.036 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.329 8.051 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.827 7.112 -6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.235 3.459 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.772 4.447 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.375 5.219 -4.192 1.00 0.00 H new ATOM 696 N GLY A 45 -16.067 6.631 -8.909 1.00 0.00 N ATOM 697 CA GLY A 45 -17.402 6.350 -9.390 1.00 0.00 C ATOM 698 C GLY A 45 -18.375 6.227 -8.238 1.00 0.00 C ATOM 699 O GLY A 45 -19.294 5.411 -8.267 1.00 0.00 O ATOM 0 H GLY A 45 -15.880 7.614 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.726 7.145 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.398 5.426 -9.968 1.00 0.00 H new ATOM 703 N ALA A 46 -18.149 7.032 -7.208 1.00 0.00 N ATOM 704 CA ALA A 46 -18.986 7.011 -6.017 1.00 0.00 C ATOM 705 C ALA A 46 -19.626 8.371 -5.788 1.00 0.00 C ATOM 706 O ALA A 46 -18.935 9.390 -5.739 1.00 0.00 O ATOM 707 CB ALA A 46 -18.168 6.603 -4.802 1.00 0.00 C ATOM 0 H ALA A 46 -17.389 7.711 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 46 -19.778 6.278 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.808 6.592 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.752 5.608 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -17.357 7.316 -4.653 1.00 0.00 H new ATOM 713 N THR A 47 -20.945 8.389 -5.650 1.00 0.00 N ATOM 714 CA THR A 47 -21.664 9.639 -5.463 1.00 0.00 C ATOM 715 C THR A 47 -22.025 9.855 -3.992 1.00 0.00 C ATOM 716 O THR A 47 -22.376 10.964 -3.593 1.00 0.00 O ATOM 717 CB THR A 47 -22.936 9.690 -6.342 1.00 0.00 C ATOM 718 OG1 THR A 47 -23.564 10.976 -6.244 1.00 0.00 O ATOM 719 CG2 THR A 47 -23.930 8.610 -5.946 1.00 0.00 C ATOM 0 H THR A 47 -21.535 7.557 -5.664 1.00 0.00 H new ATOM 0 HA THR A 47 -21.001 10.446 -5.774 1.00 0.00 H new ATOM 0 HB THR A 47 -22.627 9.514 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 47 -23.431 11.337 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 47 -24.811 8.675 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 47 -23.468 7.630 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 47 -24.224 8.750 -4.906 1.00 0.00 H new ATOM 727 N THR A 48 -21.932 8.800 -3.187 1.00 0.00 N ATOM 728 CA THR A 48 -22.240 8.893 -1.762 1.00 0.00 C ATOM 729 C THR A 48 -21.222 8.103 -0.949 1.00 0.00 C ATOM 730 O THR A 48 -20.396 7.380 -1.517 1.00 0.00 O ATOM 731 CB THR A 48 -23.649 8.346 -1.440 1.00 0.00 C ATOM 732 OG1 THR A 48 -23.716 6.950 -1.765 1.00 0.00 O ATOM 733 CG2 THR A 48 -24.732 9.100 -2.200 1.00 0.00 C ATOM 0 H THR A 48 -21.646 7.871 -3.496 1.00 0.00 H new ATOM 0 HA THR A 48 -22.203 9.950 -1.498 1.00 0.00 H new ATOM 0 HB THR A 48 -23.825 8.487 -0.374 1.00 0.00 H new ATOM 0 HG1 THR A 48 -23.704 6.840 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 48 -25.709 8.687 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 48 -24.702 10.154 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 48 -24.562 8.999 -3.272 1.00 0.00 H new ATOM 741 N LYS A 49 -21.285 8.228 0.376 1.00 0.00 N ATOM 742 CA LYS A 49 -20.443 7.426 1.259 1.00 0.00 C ATOM 743 C LYS A 49 -20.746 5.948 1.046 1.00 0.00 C ATOM 744 O LYS A 49 -19.849 5.103 1.022 1.00 0.00 O ATOM 745 CB LYS A 49 -20.705 7.761 2.732 1.00 0.00 C ATOM 746 CG LYS A 49 -20.604 9.234 3.091 1.00 0.00 C ATOM 747 CD LYS A 49 -20.956 9.447 4.558 1.00 0.00 C ATOM 748 CE LYS A 49 -21.080 10.920 4.921 1.00 0.00 C ATOM 749 NZ LYS A 49 -19.797 11.654 4.764 1.00 0.00 N ATOM 0 H LYS A 49 -21.908 8.875 0.859 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.403 7.648 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -21.702 7.407 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.996 7.205 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.594 9.594 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.277 9.816 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.896 8.941 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.191 8.986 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.840 11.383 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.422 11.009 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.780 12.467 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.004 11.018 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.708 11.991 3.784 1.00 0.00 H new ATOM 763 N GLU A 50 -22.028 5.657 0.874 1.00 0.00 N ATOM 764 CA GLU A 50 -22.507 4.289 0.760 1.00 0.00 C ATOM 765 C GLU A 50 -22.149 3.696 -0.595 1.00 0.00 C ATOM 766 O GLU A 50 -21.836 2.508 -0.701 1.00 0.00 O ATOM 767 CB GLU A 50 -24.014 4.259 0.986 1.00 0.00 C ATOM 768 CG GLU A 50 -24.415 4.894 2.308 1.00 0.00 C ATOM 769 CD GLU A 50 -25.909 4.926 2.521 1.00 0.00 C ATOM 770 OE1 GLU A 50 -26.466 3.912 2.984 1.00 0.00 O ATOM 771 OE2 GLU A 50 -26.531 5.978 2.254 1.00 0.00 O ATOM 0 H GLU A 50 -22.763 6.362 0.810 1.00 0.00 H new ATOM 0 HA GLU A 50 -22.021 3.679 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.512 4.782 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.362 3.226 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.949 4.343 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.027 5.912 2.348 1.00 0.00 H new ATOM 778 N ASP A 51 -22.186 4.525 -1.633 1.00 0.00 N ATOM 779 CA ASP A 51 -21.740 4.097 -2.953 1.00 0.00 C ATOM 780 C ASP A 51 -20.268 3.736 -2.916 1.00 0.00 C ATOM 781 O ASP A 51 -19.849 2.743 -3.510 1.00 0.00 O ATOM 782 CB ASP A 51 -21.988 5.172 -4.012 1.00 0.00 C ATOM 783 CG ASP A 51 -23.408 5.144 -4.532 1.00 0.00 C ATOM 784 OD1 ASP A 51 -23.731 4.237 -5.330 1.00 0.00 O ATOM 785 OD2 ASP A 51 -24.202 6.020 -4.144 1.00 0.00 O ATOM 0 H ASP A 51 -22.517 5.489 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 51 -22.323 3.218 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.778 6.154 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -21.296 5.029 -4.842 1.00 0.00 H new ATOM 790 N ALA A 52 -19.494 4.537 -2.194 1.00 0.00 N ATOM 791 CA ALA A 52 -18.070 4.285 -2.035 1.00 0.00 C ATOM 792 C ALA A 52 -17.833 2.947 -1.348 1.00 0.00 C ATOM 793 O ALA A 52 -16.971 2.174 -1.765 1.00 0.00 O ATOM 794 CB ALA A 52 -17.414 5.409 -1.249 1.00 0.00 C ATOM 0 H ALA A 52 -19.831 5.368 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.618 4.246 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.349 5.203 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.549 6.351 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.873 5.479 -0.263 1.00 0.00 H new ATOM 800 N ALA A 53 -18.603 2.672 -0.300 1.00 0.00 N ATOM 801 CA ALA A 53 -18.488 1.408 0.415 1.00 0.00 C ATOM 802 C ALA A 53 -18.881 0.241 -0.479 1.00 0.00 C ATOM 803 O ALA A 53 -18.190 -0.769 -0.527 1.00 0.00 O ATOM 804 CB ALA A 53 -19.336 1.416 1.677 1.00 0.00 C ATOM 0 H ALA A 53 -19.311 3.306 0.071 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.444 1.284 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.232 0.461 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.004 2.220 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.382 1.573 1.412 1.00 0.00 H new ATOM 810 N LYS A 54 -19.976 0.401 -1.215 1.00 0.00 N ATOM 811 CA LYS A 54 -20.454 -0.637 -2.126 1.00 0.00 C ATOM 812 C LYS A 54 -19.378 -1.004 -3.153 1.00 0.00 C ATOM 813 O LYS A 54 -19.377 -2.106 -3.701 1.00 0.00 O ATOM 814 CB LYS A 54 -21.736 -0.170 -2.831 1.00 0.00 C ATOM 815 CG LYS A 54 -22.332 -1.199 -3.783 1.00 0.00 C ATOM 816 CD LYS A 54 -23.707 -0.787 -4.304 1.00 0.00 C ATOM 817 CE LYS A 54 -23.650 0.414 -5.249 1.00 0.00 C ATOM 818 NZ LYS A 54 -23.400 1.695 -4.537 1.00 0.00 N ATOM 0 H LYS A 54 -20.552 1.243 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.678 -1.530 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.480 0.085 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.520 0.742 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.656 -1.344 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.413 -2.158 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.161 -1.631 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -24.353 -0.548 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -22.863 0.254 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -24.590 0.485 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.960 2.452 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -23.676 1.597 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.389 1.933 -4.595 1.00 0.00 H new ATOM 832 N THR A 55 -18.462 -0.080 -3.402 1.00 0.00 N ATOM 833 CA THR A 55 -17.367 -0.326 -4.325 1.00 0.00 C ATOM 834 C THR A 55 -16.122 -0.847 -3.596 1.00 0.00 C ATOM 835 O THR A 55 -15.515 -1.829 -4.023 1.00 0.00 O ATOM 836 CB THR A 55 -17.014 0.957 -5.108 1.00 0.00 C ATOM 837 OG1 THR A 55 -18.179 1.453 -5.789 1.00 0.00 O ATOM 838 CG2 THR A 55 -15.908 0.697 -6.121 1.00 0.00 C ATOM 0 H THR A 55 -18.456 0.847 -2.977 1.00 0.00 H new ATOM 0 HA THR A 55 -17.700 -1.092 -5.025 1.00 0.00 H new ATOM 0 HB THR A 55 -16.661 1.700 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.770 1.897 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.681 1.619 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.014 0.349 -5.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.235 -0.064 -6.830 1.00 0.00 H new ATOM 846 N LEU A 56 -15.763 -0.212 -2.483 1.00 0.00 N ATOM 847 CA LEU A 56 -14.501 -0.511 -1.805 1.00 0.00 C ATOM 848 C LEU A 56 -14.578 -1.741 -0.901 1.00 0.00 C ATOM 849 O LEU A 56 -13.573 -2.426 -0.715 1.00 0.00 O ATOM 850 CB LEU A 56 -14.028 0.691 -0.990 1.00 0.00 C ATOM 851 CG LEU A 56 -13.585 1.902 -1.809 1.00 0.00 C ATOM 852 CD1 LEU A 56 -13.121 3.020 -0.892 1.00 0.00 C ATOM 853 CD2 LEU A 56 -12.474 1.514 -2.771 1.00 0.00 C ATOM 0 H LEU A 56 -16.324 0.510 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.782 -0.733 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.835 0.998 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.197 0.377 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.437 2.258 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.809 3.876 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.940 3.316 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.281 2.672 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.170 2.388 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.621 1.135 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.834 0.740 -3.449 1.00 0.00 H new ATOM 865 N GLU A 57 -15.746 -2.020 -0.329 1.00 0.00 N ATOM 866 CA GLU A 57 -15.891 -3.178 0.555 1.00 0.00 C ATOM 867 C GLU A 57 -15.499 -4.476 -0.156 1.00 0.00 C ATOM 868 O GLU A 57 -14.646 -5.206 0.339 1.00 0.00 O ATOM 869 CB GLU A 57 -17.306 -3.293 1.137 1.00 0.00 C ATOM 870 CG GLU A 57 -17.640 -2.202 2.140 1.00 0.00 C ATOM 871 CD GLU A 57 -18.890 -2.503 2.942 1.00 0.00 C ATOM 872 OE1 GLU A 57 -19.882 -2.988 2.358 1.00 0.00 O ATOM 873 OE2 GLU A 57 -18.878 -2.274 4.171 1.00 0.00 O ATOM 0 H GLU A 57 -16.596 -1.471 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.206 -3.019 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.029 -3.260 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.414 -4.264 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.799 -2.072 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.771 -1.258 1.612 1.00 0.00 H new ATOM 880 N PRO A 58 -16.086 -4.783 -1.336 1.00 0.00 N ATOM 881 CA PRO A 58 -15.726 -5.991 -2.090 1.00 0.00 C ATOM 882 C PRO A 58 -14.280 -5.966 -2.588 1.00 0.00 C ATOM 883 O PRO A 58 -13.691 -7.015 -2.857 1.00 0.00 O ATOM 884 CB PRO A 58 -16.699 -5.994 -3.273 1.00 0.00 C ATOM 885 CG PRO A 58 -17.155 -4.583 -3.404 1.00 0.00 C ATOM 886 CD PRO A 58 -17.149 -4.015 -2.015 1.00 0.00 C ATOM 0 HA PRO A 58 -15.795 -6.883 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.210 -6.336 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.539 -6.664 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -16.492 -4.018 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.152 -4.534 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.933 -2.947 -2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.114 -4.143 -1.524 1.00 0.00 H new ATOM 894 N LEU A 59 -13.710 -4.768 -2.707 1.00 0.00 N ATOM 895 CA LEU A 59 -12.326 -4.621 -3.147 1.00 0.00 C ATOM 896 C LEU A 59 -11.367 -5.014 -2.031 1.00 0.00 C ATOM 897 O LEU A 59 -10.497 -5.861 -2.220 1.00 0.00 O ATOM 898 CB LEU A 59 -12.039 -3.186 -3.598 1.00 0.00 C ATOM 899 CG LEU A 59 -12.744 -2.743 -4.883 1.00 0.00 C ATOM 900 CD1 LEU A 59 -12.361 -1.315 -5.236 1.00 0.00 C ATOM 901 CD2 LEU A 59 -12.406 -3.680 -6.032 1.00 0.00 C ATOM 0 H LEU A 59 -14.185 -3.888 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 59 -12.175 -5.286 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.326 -2.507 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.964 -3.077 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.820 -2.782 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.871 -1.017 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.654 -0.649 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.283 -1.254 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.917 -3.347 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.329 -3.674 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.729 -4.691 -5.784 1.00 0.00 H new ATOM 913 N SER A 60 -11.538 -4.405 -0.869 1.00 0.00 N ATOM 914 CA SER A 60 -10.720 -4.730 0.289 1.00 0.00 C ATOM 915 C SER A 60 -10.969 -6.172 0.732 1.00 0.00 C ATOM 916 O SER A 60 -10.063 -6.852 1.218 1.00 0.00 O ATOM 917 CB SER A 60 -11.014 -3.754 1.429 1.00 0.00 C ATOM 918 OG SER A 60 -12.411 -3.613 1.632 1.00 0.00 O ATOM 0 H SER A 60 -12.237 -3.681 -0.702 1.00 0.00 H new ATOM 0 HA SER A 60 -9.669 -4.637 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.544 -4.109 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.576 -2.782 1.202 1.00 0.00 H new ATOM 0 HG SER A 60 -12.795 -3.081 0.904 1.00 0.00 H new ATOM 924 N ALA A 61 -12.197 -6.644 0.515 1.00 0.00 N ATOM 925 CA ALA A 61 -12.582 -8.004 0.875 1.00 0.00 C ATOM 926 C ALA A 61 -11.883 -9.046 0.009 1.00 0.00 C ATOM 927 O ALA A 61 -11.992 -10.244 0.267 1.00 0.00 O ATOM 928 CB ALA A 61 -14.090 -8.172 0.775 1.00 0.00 C ATOM 0 H ALA A 61 -12.945 -6.098 0.088 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.267 -8.166 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.361 -9.192 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.580 -7.473 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.412 -7.971 -0.247 1.00 0.00 H new ATOM 934 N LYS A 62 -11.173 -8.593 -1.023 1.00 0.00 N ATOM 935 CA LYS A 62 -10.415 -9.502 -1.872 1.00 0.00 C ATOM 936 C LYS A 62 -9.227 -10.064 -1.105 1.00 0.00 C ATOM 937 O LYS A 62 -8.743 -11.157 -1.404 1.00 0.00 O ATOM 938 CB LYS A 62 -9.943 -8.800 -3.147 1.00 0.00 C ATOM 939 CG LYS A 62 -11.081 -8.350 -4.045 1.00 0.00 C ATOM 940 CD LYS A 62 -10.571 -7.659 -5.299 1.00 0.00 C ATOM 941 CE LYS A 62 -11.721 -7.116 -6.131 1.00 0.00 C ATOM 942 NZ LYS A 62 -12.631 -8.191 -6.609 1.00 0.00 N ATOM 0 H LYS A 62 -11.109 -7.610 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.070 -10.323 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.341 -7.933 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.295 -9.475 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.685 -9.213 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.732 -7.670 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.902 -6.844 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.988 -8.362 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.289 -6.400 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.322 -6.574 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.307 -7.795 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.073 -8.940 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.150 -8.591 -5.801 1.00 0.00 H new ATOM 956 N TYR A 63 -8.763 -9.310 -0.114 1.00 0.00 N ATOM 957 CA TYR A 63 -7.732 -9.789 0.792 1.00 0.00 C ATOM 958 C TYR A 63 -8.321 -10.850 1.708 1.00 0.00 C ATOM 959 O TYR A 63 -7.814 -11.969 1.787 1.00 0.00 O ATOM 960 CB TYR A 63 -7.150 -8.633 1.611 1.00 0.00 C ATOM 961 CG TYR A 63 -6.265 -7.709 0.804 1.00 0.00 C ATOM 962 CD1 TYR A 63 -6.788 -6.609 0.133 1.00 0.00 C ATOM 963 CD2 TYR A 63 -4.901 -7.944 0.713 1.00 0.00 C ATOM 964 CE1 TYR A 63 -5.972 -5.776 -0.610 1.00 0.00 C ATOM 965 CE2 TYR A 63 -4.080 -7.117 -0.024 1.00 0.00 C ATOM 966 CZ TYR A 63 -4.619 -6.034 -0.683 1.00 0.00 C ATOM 967 OH TYR A 63 -3.800 -5.211 -1.422 1.00 0.00 O ATOM 0 H TYR A 63 -9.087 -8.363 0.080 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.921 -10.226 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.968 -8.055 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.575 -9.040 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.846 -6.402 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.474 -8.791 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.392 -4.928 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.020 -7.317 -0.084 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.876 -5.534 -1.367 1.00 0.00 H new ATOM 977 N LYS A 64 -9.397 -10.486 2.396 1.00 0.00 N ATOM 978 CA LYS A 64 -10.161 -11.435 3.201 1.00 0.00 C ATOM 979 C LYS A 64 -9.323 -11.924 4.378 1.00 0.00 C ATOM 980 O LYS A 64 -9.367 -13.102 4.752 1.00 0.00 O ATOM 981 CB LYS A 64 -10.608 -12.611 2.322 1.00 0.00 C ATOM 982 CG LYS A 64 -11.705 -13.475 2.925 1.00 0.00 C ATOM 983 CD LYS A 64 -12.012 -14.670 2.037 1.00 0.00 C ATOM 984 CE LYS A 64 -12.420 -14.244 0.633 1.00 0.00 C ATOM 985 NZ LYS A 64 -13.716 -13.515 0.620 1.00 0.00 N ATOM 0 H LYS A 64 -9.763 -9.534 2.413 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.046 -10.940 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.956 -12.220 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.743 -13.240 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.398 -13.821 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.607 -12.879 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.135 -15.315 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.812 -15.259 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.643 -13.608 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.494 -15.125 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.978 -13.290 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.454 -14.111 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.624 -12.634 1.165 1.00 0.00 H new ATOM 999 N ASN A 65 -8.573 -10.997 4.969 1.00 0.00 N ATOM 1000 CA ASN A 65 -7.693 -11.295 6.095 1.00 0.00 C ATOM 1001 C ASN A 65 -6.682 -12.376 5.720 1.00 0.00 C ATOM 1002 O ASN A 65 -6.634 -13.440 6.337 1.00 0.00 O ATOM 1003 CB ASN A 65 -8.496 -11.729 7.330 1.00 0.00 C ATOM 1004 CG ASN A 65 -9.542 -10.710 7.758 1.00 0.00 C ATOM 1005 OD1 ASN A 65 -9.274 -9.432 7.527 1.00 0.00 O flip ATOM 1006 ND2 ASN A 65 -10.587 -11.073 8.295 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.558 -10.019 4.681 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.154 -10.380 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.989 -12.678 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.809 -11.904 8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.759 -12.065 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.282 -10.382 8.578 1.00 0.00 H new ATOM 1013 N ILE A 66 -5.902 -12.099 4.677 1.00 0.00 N ATOM 1014 CA ILE A 66 -4.835 -12.997 4.233 1.00 0.00 C ATOM 1015 C ILE A 66 -3.890 -13.351 5.375 1.00 0.00 C ATOM 1016 O ILE A 66 -3.904 -14.470 5.886 1.00 0.00 O ATOM 1017 CB ILE A 66 -4.011 -12.370 3.083 1.00 0.00 C ATOM 1018 CG1 ILE A 66 -4.921 -12.023 1.909 1.00 0.00 C ATOM 1019 CG2 ILE A 66 -2.905 -13.312 2.630 1.00 0.00 C ATOM 1020 CD1 ILE A 66 -4.216 -11.336 0.764 1.00 0.00 C ATOM 0 H ILE A 66 -5.990 -11.251 4.118 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.323 -13.904 3.876 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.549 -11.455 3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.384 -12.938 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.726 -11.379 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.341 -12.848 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.237 -13.518 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.344 -14.245 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.932 -11.124 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.776 -10.403 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.430 -11.985 0.379 1.00 0.00 H new ATOM 1032 N ALA A 67 -3.082 -12.383 5.763 1.00 0.00 N ATOM 1033 CA ALA A 67 -2.083 -12.588 6.801 1.00 0.00 C ATOM 1034 C ALA A 67 -1.701 -11.273 7.460 1.00 0.00 C ATOM 1035 O ALA A 67 -0.964 -10.474 6.882 1.00 0.00 O ATOM 1036 CB ALA A 67 -0.851 -13.249 6.217 1.00 0.00 C ATOM 0 H ALA A 67 -3.096 -11.440 5.374 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.515 -13.239 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.111 -13.397 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.124 -14.214 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.431 -12.612 5.438 1.00 0.00 H new ATOM 1042 N GLY A 68 -2.235 -11.047 8.654 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.933 -9.841 9.404 1.00 0.00 C ATOM 1044 C GLY A 68 -2.311 -8.583 8.652 1.00 0.00 C ATOM 1045 O GLY A 68 -1.789 -7.501 8.926 1.00 0.00 O ATOM 0 H GLY A 68 -2.879 -11.685 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.464 -9.866 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.868 -9.817 9.634 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.222 -8.722 7.697 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.611 -7.601 6.868 1.00 0.00 C ATOM 1051 C VAL A 69 -4.702 -6.785 7.538 1.00 0.00 C ATOM 1052 O VAL A 69 -5.787 -7.282 7.844 1.00 0.00 O ATOM 1053 CB VAL A 69 -4.061 -8.033 5.453 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -2.877 -8.547 4.654 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -5.154 -9.085 5.515 1.00 0.00 C ATOM 0 H VAL A 69 -3.700 -9.597 7.482 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.722 -6.981 6.749 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.470 -7.156 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.211 -8.847 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.130 -7.759 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.439 -9.405 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.447 -9.366 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.784 -9.964 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.018 -8.682 6.044 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.383 -5.533 7.792 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.340 -4.606 8.345 1.00 0.00 C ATOM 1067 C GLU A 70 -6.007 -3.857 7.208 1.00 0.00 C ATOM 1068 O GLU A 70 -5.482 -2.863 6.708 1.00 0.00 O ATOM 1069 CB GLU A 70 -4.646 -3.640 9.306 1.00 0.00 C ATOM 1070 CG GLU A 70 -3.976 -4.348 10.474 1.00 0.00 C ATOM 1071 CD GLU A 70 -3.242 -3.403 11.402 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -3.876 -2.859 12.330 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -2.019 -3.216 11.222 1.00 0.00 O ATOM 0 H GLU A 70 -3.460 -5.134 7.622 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.099 -5.147 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.899 -3.065 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.377 -2.929 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.731 -4.892 11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.274 -5.087 10.088 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.131 -4.396 6.772 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.909 -3.812 5.694 1.00 0.00 C ATOM 1082 C GLU A 71 -8.923 -2.822 6.263 1.00 0.00 C ATOM 1083 O GLU A 71 -10.013 -3.199 6.696 1.00 0.00 O ATOM 1084 CB GLU A 71 -8.586 -4.929 4.882 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.046 -6.106 5.740 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.483 -7.317 4.932 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.623 -8.169 4.613 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.696 -7.442 4.655 1.00 0.00 O ATOM 0 H GLU A 71 -7.531 -5.252 7.156 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.255 -3.260 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.445 -4.515 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.891 -5.290 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.234 -6.398 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.874 -5.783 6.371 1.00 0.00 H new ATOM 1095 N LYS A 72 -8.530 -1.554 6.297 1.00 0.00 N ATOM 1096 CA LYS A 72 -9.331 -0.512 6.923 1.00 0.00 C ATOM 1097 C LYS A 72 -9.807 0.500 5.889 1.00 0.00 C ATOM 1098 O LYS A 72 -9.005 1.104 5.177 1.00 0.00 O ATOM 1099 CB LYS A 72 -8.513 0.200 8.003 1.00 0.00 C ATOM 1100 CG LYS A 72 -7.926 -0.736 9.045 1.00 0.00 C ATOM 1101 CD LYS A 72 -7.042 0.017 10.026 1.00 0.00 C ATOM 1102 CE LYS A 72 -6.363 -0.922 11.009 1.00 0.00 C ATOM 1103 NZ LYS A 72 -7.344 -1.675 11.834 1.00 0.00 N ATOM 0 H LYS A 72 -7.654 -1.222 5.894 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.204 -0.980 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.703 0.752 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.147 0.932 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.731 -1.234 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.345 -1.515 8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.285 0.578 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.643 0.744 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.735 -1.625 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.706 -0.348 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.842 -2.199 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.014 -1.010 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.864 -2.344 11.231 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.112 0.686 5.816 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.694 1.618 4.867 1.00 0.00 C ATOM 1119 C LEU A 73 -12.109 2.908 5.566 1.00 0.00 C ATOM 1120 O LEU A 73 -13.038 2.916 6.371 1.00 0.00 O ATOM 1121 CB LEU A 73 -12.898 0.972 4.179 1.00 0.00 C ATOM 1122 CG LEU A 73 -12.567 -0.239 3.307 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -13.837 -0.964 2.888 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.775 0.193 2.082 1.00 0.00 C ATOM 0 H LEU A 73 -11.791 0.203 6.404 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.946 1.866 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.614 0.667 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.391 1.723 3.561 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.958 -0.927 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.578 -1.822 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.371 -1.305 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.473 -0.285 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.546 -0.680 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.364 0.901 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.846 0.668 2.398 1.00 0.00 H new ATOM 1136 N THR A 74 -11.416 3.998 5.261 1.00 0.00 N ATOM 1137 CA THR A 74 -11.722 5.281 5.869 1.00 0.00 C ATOM 1138 C THR A 74 -12.514 6.154 4.901 1.00 0.00 C ATOM 1139 O THR A 74 -12.007 6.557 3.850 1.00 0.00 O ATOM 1140 CB THR A 74 -10.440 6.023 6.304 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.540 6.150 5.197 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.743 5.286 7.436 1.00 0.00 C ATOM 0 H THR A 74 -10.641 4.017 4.598 1.00 0.00 H new ATOM 0 HA THR A 74 -12.323 5.086 6.757 1.00 0.00 H new ATOM 0 HB THR A 74 -10.730 7.014 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.052 6.198 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.843 5.829 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.414 5.216 8.292 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.472 4.284 7.105 1.00 0.00 H new ATOM 1150 N TYR A 75 -13.761 6.426 5.253 1.00 0.00 N ATOM 1151 CA TYR A 75 -14.644 7.212 4.406 1.00 0.00 C ATOM 1152 C TYR A 75 -14.883 8.585 5.012 1.00 0.00 C ATOM 1153 O TYR A 75 -15.636 8.723 5.976 1.00 0.00 O ATOM 1154 CB TYR A 75 -15.989 6.505 4.221 1.00 0.00 C ATOM 1155 CG TYR A 75 -15.891 5.152 3.556 1.00 0.00 C ATOM 1156 CD1 TYR A 75 -15.742 5.045 2.179 1.00 0.00 C ATOM 1157 CD2 TYR A 75 -15.958 3.981 4.301 1.00 0.00 C ATOM 1158 CE1 TYR A 75 -15.660 3.813 1.566 1.00 0.00 C ATOM 1159 CE2 TYR A 75 -15.875 2.744 3.692 1.00 0.00 C ATOM 1160 CZ TYR A 75 -15.727 2.667 2.324 1.00 0.00 C ATOM 1161 OH TYR A 75 -15.645 1.439 1.711 1.00 0.00 O ATOM 0 H TYR A 75 -14.186 6.112 6.125 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.160 7.324 3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -16.461 6.385 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -16.643 7.143 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.690 5.941 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.077 4.039 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -15.544 3.748 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -15.926 1.842 4.284 1.00 0.00 H new ATOM 0 HH TYR A 75 -16.220 0.800 2.181 1.00 0.00 H new ATOM 1171 N THR A 76 -14.229 9.597 4.467 1.00 0.00 N ATOM 1172 CA THR A 76 -14.465 10.959 4.905 1.00 0.00 C ATOM 1173 C THR A 76 -15.742 11.488 4.265 1.00 0.00 C ATOM 1174 O THR A 76 -16.776 11.613 4.925 1.00 0.00 O ATOM 1175 CB THR A 76 -13.278 11.872 4.553 1.00 0.00 C ATOM 1176 OG1 THR A 76 -12.048 11.199 4.851 1.00 0.00 O ATOM 1177 CG2 THR A 76 -13.345 13.174 5.336 1.00 0.00 C ATOM 0 H THR A 76 -13.535 9.501 3.725 1.00 0.00 H new ATOM 0 HA THR A 76 -14.574 10.957 5.989 1.00 0.00 H new ATOM 0 HB THR A 76 -13.325 12.103 3.489 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.317 11.614 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.495 13.803 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.272 13.696 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.316 12.958 6.404 1.00 0.00 H new ATOM 1185 N ASP A 77 -15.656 11.761 2.969 1.00 0.00 N ATOM 1186 CA ASP A 77 -16.808 12.186 2.169 1.00 0.00 C ATOM 1187 C ASP A 77 -16.372 12.565 0.763 1.00 0.00 C ATOM 1188 O ASP A 77 -16.988 12.162 -0.219 1.00 0.00 O ATOM 1189 CB ASP A 77 -17.536 13.377 2.796 1.00 0.00 C ATOM 1190 CG ASP A 77 -18.849 13.649 2.096 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -19.811 12.886 2.327 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -18.922 14.603 1.293 1.00 0.00 O ATOM 0 H ASP A 77 -14.787 11.695 2.439 1.00 0.00 H new ATOM 0 HA ASP A 77 -17.493 11.339 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.719 13.179 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.903 14.262 2.742 1.00 0.00 H new ATOM 1197 N THR A 78 -15.313 13.355 0.676 1.00 0.00 N ATOM 1198 CA THR A 78 -14.789 13.796 -0.610 1.00 0.00 C ATOM 1199 C THR A 78 -13.741 12.811 -1.129 1.00 0.00 C ATOM 1200 O THR A 78 -13.362 12.835 -2.304 1.00 0.00 O ATOM 1201 CB THR A 78 -14.177 15.205 -0.482 1.00 0.00 C ATOM 1202 OG1 THR A 78 -15.080 16.042 0.259 1.00 0.00 O ATOM 1203 CG2 THR A 78 -13.919 15.827 -1.847 1.00 0.00 C ATOM 0 H THR A 78 -14.797 13.706 1.483 1.00 0.00 H new ATOM 0 HA THR A 78 -15.612 13.833 -1.323 1.00 0.00 H new ATOM 0 HB THR A 78 -13.222 15.119 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.697 16.940 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.488 16.820 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.226 15.200 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.859 15.908 -2.394 1.00 0.00 H new ATOM 1211 N TYR A 79 -13.297 11.924 -0.250 1.00 0.00 N ATOM 1212 CA TYR A 79 -12.333 10.905 -0.619 1.00 0.00 C ATOM 1213 C TYR A 79 -12.473 9.701 0.296 1.00 0.00 C ATOM 1214 O TYR A 79 -12.950 9.823 1.430 1.00 0.00 O ATOM 1215 CB TYR A 79 -10.895 11.451 -0.590 1.00 0.00 C ATOM 1216 CG TYR A 79 -10.346 11.769 0.788 1.00 0.00 C ATOM 1217 CD1 TYR A 79 -10.499 13.033 1.348 1.00 0.00 C ATOM 1218 CD2 TYR A 79 -9.654 10.809 1.520 1.00 0.00 C ATOM 1219 CE1 TYR A 79 -9.981 13.327 2.597 1.00 0.00 C ATOM 1220 CE2 TYR A 79 -9.131 11.098 2.765 1.00 0.00 C ATOM 1221 CZ TYR A 79 -9.299 12.357 3.300 1.00 0.00 C ATOM 1222 OH TYR A 79 -8.770 12.649 4.538 1.00 0.00 O ATOM 0 H TYR A 79 -13.592 11.892 0.726 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.541 10.595 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.238 10.722 -1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -10.856 12.357 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.030 13.797 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.524 9.820 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.111 14.313 3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.593 10.341 3.317 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.322 11.855 4.898 1.00 0.00 H new ATOM 1232 N ALA A 80 -12.085 8.548 -0.212 1.00 0.00 N ATOM 1233 CA ALA A 80 -12.132 7.314 0.544 1.00 0.00 C ATOM 1234 C ALA A 80 -10.786 6.620 0.456 1.00 0.00 C ATOM 1235 O ALA A 80 -10.268 6.389 -0.635 1.00 0.00 O ATOM 1236 CB ALA A 80 -13.241 6.416 0.020 1.00 0.00 C ATOM 0 H ALA A 80 -11.728 8.441 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.347 7.536 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.265 5.492 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.199 6.928 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.056 6.184 -1.029 1.00 0.00 H new ATOM 1242 N GLN A 81 -10.214 6.300 1.598 1.00 0.00 N ATOM 1243 CA GLN A 81 -8.875 5.749 1.633 1.00 0.00 C ATOM 1244 C GLN A 81 -8.907 4.290 2.060 1.00 0.00 C ATOM 1245 O GLN A 81 -9.309 3.964 3.180 1.00 0.00 O ATOM 1246 CB GLN A 81 -7.995 6.568 2.578 1.00 0.00 C ATOM 1247 CG GLN A 81 -6.509 6.268 2.460 1.00 0.00 C ATOM 1248 CD GLN A 81 -5.656 7.284 3.194 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -6.023 8.452 3.303 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -4.521 6.848 3.715 1.00 0.00 N ATOM 0 H GLN A 81 -10.653 6.411 2.512 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.451 5.799 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.157 7.628 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.312 6.382 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.309 5.273 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.226 6.252 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.251 5.871 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.916 7.489 4.229 1.00 0.00 H new ATOM 1259 N GLU A 82 -8.511 3.419 1.151 1.00 0.00 N ATOM 1260 CA GLU A 82 -8.402 2.006 1.449 1.00 0.00 C ATOM 1261 C GLU A 82 -7.038 1.741 2.072 1.00 0.00 C ATOM 1262 O GLU A 82 -6.039 1.572 1.375 1.00 0.00 O ATOM 1263 CB GLU A 82 -8.608 1.175 0.177 1.00 0.00 C ATOM 1264 CG GLU A 82 -8.609 -0.330 0.402 1.00 0.00 C ATOM 1265 CD GLU A 82 -8.842 -1.108 -0.880 1.00 0.00 C ATOM 1266 OE1 GLU A 82 -7.931 -1.133 -1.738 1.00 0.00 O ATOM 1267 OE2 GLU A 82 -9.931 -1.704 -1.030 1.00 0.00 O ATOM 0 H GLU A 82 -8.258 3.669 0.195 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.177 1.713 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.555 1.462 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.821 1.423 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.656 -0.630 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.384 -0.586 1.125 1.00 0.00 H new ATOM 1274 N ASN A 83 -6.999 1.762 3.394 1.00 0.00 N ATOM 1275 CA ASN A 83 -5.762 1.569 4.131 1.00 0.00 C ATOM 1276 C ASN A 83 -5.523 0.087 4.346 1.00 0.00 C ATOM 1277 O ASN A 83 -6.145 -0.528 5.210 1.00 0.00 O ATOM 1278 CB ASN A 83 -5.817 2.286 5.487 1.00 0.00 C ATOM 1279 CG ASN A 83 -5.761 3.797 5.364 1.00 0.00 C ATOM 1280 OD1 ASN A 83 -4.692 4.396 5.414 1.00 0.00 O ATOM 1281 ND2 ASN A 83 -6.911 4.427 5.203 1.00 0.00 N ATOM 0 H ASN A 83 -7.818 1.912 3.983 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.943 1.992 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.734 2.003 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.985 1.947 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.928 5.443 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.782 3.897 5.166 1.00 0.00 H new ATOM 1288 N VAL A 84 -4.639 -0.493 3.553 1.00 0.00 N ATOM 1289 CA VAL A 84 -4.403 -1.932 3.633 1.00 0.00 C ATOM 1290 C VAL A 84 -3.001 -2.232 4.135 1.00 0.00 C ATOM 1291 O VAL A 84 -2.025 -2.097 3.406 1.00 0.00 O ATOM 1292 CB VAL A 84 -4.618 -2.636 2.276 1.00 0.00 C ATOM 1293 CG1 VAL A 84 -4.515 -4.146 2.435 1.00 0.00 C ATOM 1294 CG2 VAL A 84 -5.961 -2.257 1.676 1.00 0.00 C ATOM 0 H VAL A 84 -4.079 -0.003 2.856 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.134 -2.322 4.342 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.834 -2.304 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.669 -4.625 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.527 -4.405 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.275 -4.491 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.089 -2.766 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.760 -2.554 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.999 -1.179 1.521 1.00 0.00 H new ATOM 1304 N THR A 85 -2.903 -2.643 5.384 1.00 0.00 N ATOM 1305 CA THR A 85 -1.614 -2.934 5.985 1.00 0.00 C ATOM 1306 C THR A 85 -1.331 -4.430 5.950 1.00 0.00 C ATOM 1307 O THR A 85 -1.913 -5.196 6.709 1.00 0.00 O ATOM 1308 CB THR A 85 -1.558 -2.424 7.438 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.945 -1.043 7.472 1.00 0.00 O ATOM 1310 CG2 THR A 85 -0.159 -2.577 8.020 1.00 0.00 C ATOM 0 H THR A 85 -3.701 -2.783 6.004 1.00 0.00 H new ATOM 0 HA THR A 85 -0.850 -2.417 5.404 1.00 0.00 H new ATOM 0 HB THR A 85 -2.245 -3.019 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.912 -0.717 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.150 -2.209 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.127 -3.629 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.549 -2.003 7.422 1.00 0.00 H new ATOM 1318 N ILE A 86 -0.444 -4.843 5.062 1.00 0.00 N ATOM 1319 CA ILE A 86 -0.131 -6.253 4.892 1.00 0.00 C ATOM 1320 C ILE A 86 1.059 -6.647 5.757 1.00 0.00 C ATOM 1321 O ILE A 86 2.119 -6.021 5.683 1.00 0.00 O ATOM 1322 CB ILE A 86 0.189 -6.604 3.415 1.00 0.00 C ATOM 1323 CG1 ILE A 86 -0.982 -6.267 2.484 1.00 0.00 C ATOM 1324 CG2 ILE A 86 0.544 -8.075 3.282 1.00 0.00 C ATOM 1325 CD1 ILE A 86 -0.992 -4.833 1.997 1.00 0.00 C ATOM 0 H ILE A 86 0.075 -4.219 4.444 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.017 -6.809 5.198 1.00 0.00 H new ATOM 0 HB ILE A 86 1.044 -5.997 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.949 -6.932 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.917 -6.469 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.765 -8.303 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.418 -8.295 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.296 -8.684 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.851 -4.676 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.058 -4.159 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.075 -4.630 1.444 1.00 0.00 H new ATOM 1337 N ASP A 87 0.885 -7.669 6.585 1.00 0.00 N ATOM 1338 CA ASP A 87 1.984 -8.180 7.389 1.00 0.00 C ATOM 1339 C ASP A 87 2.787 -9.178 6.570 1.00 0.00 C ATOM 1340 O ASP A 87 2.290 -10.239 6.193 1.00 0.00 O ATOM 1341 CB ASP A 87 1.484 -8.834 8.672 1.00 0.00 C ATOM 1342 CG ASP A 87 2.623 -9.195 9.602 1.00 0.00 C ATOM 1343 OD1 ASP A 87 2.998 -8.343 10.441 1.00 0.00 O ATOM 1344 OD2 ASP A 87 3.149 -10.323 9.500 1.00 0.00 O ATOM 0 H ASP A 87 -0.001 -8.157 6.716 1.00 0.00 H new ATOM 0 HA ASP A 87 2.619 -7.341 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.800 -8.156 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.918 -9.732 8.425 1.00 0.00 H new ATOM 1349 N MET A 88 4.033 -8.833 6.314 1.00 0.00 N ATOM 1350 CA MET A 88 4.859 -9.562 5.365 1.00 0.00 C ATOM 1351 C MET A 88 5.694 -10.622 6.074 1.00 0.00 C ATOM 1352 O MET A 88 6.634 -11.180 5.505 1.00 0.00 O ATOM 1353 CB MET A 88 5.749 -8.566 4.619 1.00 0.00 C ATOM 1354 CG MET A 88 4.980 -7.334 4.159 1.00 0.00 C ATOM 1355 SD MET A 88 6.040 -5.999 3.584 1.00 0.00 S ATOM 1356 CE MET A 88 6.361 -6.505 1.900 1.00 0.00 C ATOM 0 H MET A 88 4.503 -8.042 6.755 1.00 0.00 H new ATOM 0 HA MET A 88 4.221 -10.081 4.649 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.569 -8.258 5.268 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.194 -9.057 3.754 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.300 -7.619 3.356 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.366 -6.970 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.854 -5.694 1.364 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.005 -7.384 1.901 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.419 -6.746 1.407 1.00 0.00 H new ATOM 1366 N GLU A 89 5.325 -10.913 7.311 1.00 0.00 N ATOM 1367 CA GLU A 89 5.987 -11.948 8.087 1.00 0.00 C ATOM 1368 C GLU A 89 5.136 -13.209 8.104 1.00 0.00 C ATOM 1369 O GLU A 89 5.547 -14.241 8.634 1.00 0.00 O ATOM 1370 CB GLU A 89 6.232 -11.469 9.521 1.00 0.00 C ATOM 1371 CG GLU A 89 7.424 -10.539 9.669 1.00 0.00 C ATOM 1372 CD GLU A 89 8.745 -11.259 9.492 1.00 0.00 C ATOM 1373 OE1 GLU A 89 9.109 -12.070 10.372 1.00 0.00 O ATOM 1374 OE2 GLU A 89 9.433 -11.020 8.483 1.00 0.00 O ATOM 0 H GLU A 89 4.565 -10.443 7.802 1.00 0.00 H new ATOM 0 HA GLU A 89 6.948 -12.168 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.339 -10.957 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.381 -12.338 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.349 -9.737 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.397 -10.072 10.654 1.00 0.00 H new ATOM 1381 N LYS A 90 3.945 -13.114 7.528 1.00 0.00 N ATOM 1382 CA LYS A 90 3.003 -14.226 7.532 1.00 0.00 C ATOM 1383 C LYS A 90 2.307 -14.344 6.174 1.00 0.00 C ATOM 1384 O LYS A 90 1.456 -15.209 5.979 1.00 0.00 O ATOM 1385 CB LYS A 90 1.958 -13.990 8.631 1.00 0.00 C ATOM 1386 CG LYS A 90 1.233 -15.246 9.091 1.00 0.00 C ATOM 1387 CD LYS A 90 0.006 -14.911 9.932 1.00 0.00 C ATOM 1388 CE LYS A 90 0.340 -13.990 11.099 1.00 0.00 C ATOM 1389 NZ LYS A 90 1.258 -14.624 12.082 1.00 0.00 N ATOM 0 H LYS A 90 3.608 -12.278 7.052 1.00 0.00 H new ATOM 0 HA LYS A 90 3.543 -15.153 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.449 -13.534 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.222 -13.273 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.931 -15.831 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.914 -15.868 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.746 -14.437 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.433 -15.833 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.797 -13.077 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.582 -13.699 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.453 -13.956 12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.814 -15.481 12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.149 -14.878 11.611 1.00 0.00 H new ATOM 1403 N VAL A 91 2.700 -13.469 5.244 1.00 0.00 N ATOM 1404 CA VAL A 91 2.011 -13.298 3.954 1.00 0.00 C ATOM 1405 C VAL A 91 1.710 -14.603 3.227 1.00 0.00 C ATOM 1406 O VAL A 91 2.588 -15.444 3.028 1.00 0.00 O ATOM 1407 CB VAL A 91 2.814 -12.403 2.987 1.00 0.00 C ATOM 1408 CG1 VAL A 91 2.357 -10.960 3.080 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.305 -12.513 3.262 1.00 0.00 C ATOM 0 H VAL A 91 3.507 -12.856 5.361 1.00 0.00 H new ATOM 0 HA VAL A 91 1.066 -12.829 4.226 1.00 0.00 H new ATOM 0 HB VAL A 91 2.628 -12.753 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.938 -10.349 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.300 -10.896 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.504 -10.597 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.851 -11.874 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.511 -12.198 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.624 -13.547 3.130 1.00 0.00 H new ATOM 1419 N ASP A 92 0.453 -14.746 2.819 1.00 0.00 N ATOM 1420 CA ASP A 92 0.052 -15.826 1.932 1.00 0.00 C ATOM 1421 C ASP A 92 -0.008 -15.297 0.506 1.00 0.00 C ATOM 1422 O ASP A 92 -0.982 -14.653 0.106 1.00 0.00 O ATOM 1423 CB ASP A 92 -1.307 -16.409 2.342 1.00 0.00 C ATOM 1424 CG ASP A 92 -1.822 -17.437 1.352 1.00 0.00 C ATOM 1425 OD1 ASP A 92 -1.278 -18.560 1.315 1.00 0.00 O ATOM 1426 OD2 ASP A 92 -2.784 -17.129 0.613 1.00 0.00 O ATOM 0 H ASP A 92 -0.307 -14.123 3.092 1.00 0.00 H new ATOM 0 HA ASP A 92 0.786 -16.629 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.219 -16.870 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.033 -15.601 2.432 1.00 0.00 H new ATOM 1431 N PHE A 93 1.052 -15.538 -0.250 1.00 0.00 N ATOM 1432 CA PHE A 93 1.168 -15.000 -1.601 1.00 0.00 C ATOM 1433 C PHE A 93 0.215 -15.688 -2.571 1.00 0.00 C ATOM 1434 O PHE A 93 0.011 -15.210 -3.682 1.00 0.00 O ATOM 1435 CB PHE A 93 2.605 -15.115 -2.110 1.00 0.00 C ATOM 1436 CG PHE A 93 3.581 -14.255 -1.362 1.00 0.00 C ATOM 1437 CD1 PHE A 93 3.531 -12.875 -1.472 1.00 0.00 C ATOM 1438 CD2 PHE A 93 4.549 -14.825 -0.553 1.00 0.00 C ATOM 1439 CE1 PHE A 93 4.428 -12.078 -0.788 1.00 0.00 C ATOM 1440 CE2 PHE A 93 5.451 -14.034 0.135 1.00 0.00 C ATOM 1441 CZ PHE A 93 5.391 -12.658 0.016 1.00 0.00 C ATOM 0 H PHE A 93 1.847 -16.104 0.048 1.00 0.00 H new ATOM 0 HA PHE A 93 0.892 -13.947 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.923 -16.155 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.630 -14.844 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.782 -12.417 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.600 -15.900 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.377 -11.003 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.201 -14.490 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.095 -12.037 0.550 1.00 0.00 H new ATOM 1451 N LYS A 94 -0.373 -16.803 -2.150 1.00 0.00 N ATOM 1452 CA LYS A 94 -1.330 -17.516 -2.986 1.00 0.00 C ATOM 1453 C LYS A 94 -2.533 -16.631 -3.286 1.00 0.00 C ATOM 1454 O LYS A 94 -2.963 -16.510 -4.436 1.00 0.00 O ATOM 1455 CB LYS A 94 -1.783 -18.806 -2.303 1.00 0.00 C ATOM 1456 CG LYS A 94 -0.673 -19.826 -2.124 1.00 0.00 C ATOM 1457 CD LYS A 94 -0.135 -20.302 -3.463 1.00 0.00 C ATOM 1458 CE LYS A 94 0.907 -21.391 -3.285 1.00 0.00 C ATOM 1459 NZ LYS A 94 1.377 -21.923 -4.588 1.00 0.00 N ATOM 0 H LYS A 94 -0.204 -17.230 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.840 -17.774 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.201 -18.562 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.585 -19.254 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.136 -19.387 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.048 -20.678 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.956 -20.678 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.303 -19.461 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.755 -20.994 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.486 -22.203 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.088 -22.664 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.572 -22.324 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.801 -21.154 -5.144 1.00 0.00 H new ATOM 1473 N ALA A 95 -3.059 -16.000 -2.244 1.00 0.00 N ATOM 1474 CA ALA A 95 -4.181 -15.090 -2.393 1.00 0.00 C ATOM 1475 C ALA A 95 -3.707 -13.722 -2.870 1.00 0.00 C ATOM 1476 O ALA A 95 -4.258 -13.159 -3.814 1.00 0.00 O ATOM 1477 CB ALA A 95 -4.931 -14.965 -1.075 1.00 0.00 C ATOM 0 H ALA A 95 -2.724 -16.104 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.858 -15.495 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.770 -14.280 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.303 -15.944 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.258 -14.580 -0.309 1.00 0.00 H new ATOM 1483 N LEU A 96 -2.649 -13.221 -2.238 1.00 0.00 N ATOM 1484 CA LEU A 96 -2.151 -11.868 -2.493 1.00 0.00 C ATOM 1485 C LEU A 96 -1.725 -11.683 -3.952 1.00 0.00 C ATOM 1486 O LEU A 96 -1.728 -10.565 -4.464 1.00 0.00 O ATOM 1487 CB LEU A 96 -0.989 -11.560 -1.531 1.00 0.00 C ATOM 1488 CG LEU A 96 -0.393 -10.147 -1.614 1.00 0.00 C ATOM 1489 CD1 LEU A 96 0.095 -9.698 -0.250 1.00 0.00 C ATOM 1490 CD2 LEU A 96 0.755 -10.096 -2.614 1.00 0.00 C ATOM 0 H LEU A 96 -2.114 -13.736 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.962 -11.162 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.336 -11.725 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.191 -12.279 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.179 -9.472 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.515 -8.695 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.740 -9.690 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.862 -10.386 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.159 -9.084 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.538 -10.788 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.390 -10.380 -3.601 1.00 0.00 H new ATOM 1502 N GLN A 97 -1.387 -12.780 -4.625 1.00 0.00 N ATOM 1503 CA GLN A 97 -0.975 -12.727 -6.028 1.00 0.00 C ATOM 1504 C GLN A 97 -2.061 -12.091 -6.899 1.00 0.00 C ATOM 1505 O GLN A 97 -1.773 -11.508 -7.947 1.00 0.00 O ATOM 1506 CB GLN A 97 -0.650 -14.136 -6.540 1.00 0.00 C ATOM 1507 CG GLN A 97 -0.146 -14.170 -7.976 1.00 0.00 C ATOM 1508 CD GLN A 97 0.250 -15.562 -8.431 1.00 0.00 C ATOM 1509 OE1 GLN A 97 -0.294 -16.565 -7.962 1.00 0.00 O ATOM 1510 NE2 GLN A 97 1.191 -15.629 -9.362 1.00 0.00 N ATOM 0 H GLN A 97 -1.390 -13.717 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.080 -12.108 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.103 -14.583 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.544 -14.755 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.922 -13.784 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.712 -13.505 -8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.614 -14.774 -9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.492 -16.536 -9.719 1.00 0.00 H new ATOM 1519 N GLY A 98 -3.305 -12.192 -6.456 1.00 0.00 N ATOM 1520 CA GLY A 98 -4.405 -11.644 -7.216 1.00 0.00 C ATOM 1521 C GLY A 98 -4.657 -10.175 -6.925 1.00 0.00 C ATOM 1522 O GLY A 98 -5.153 -9.445 -7.789 1.00 0.00 O ATOM 0 H GLY A 98 -3.571 -12.645 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.201 -11.768 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.309 -12.212 -6.996 1.00 0.00 H new ATOM 1526 N ILE A 99 -4.303 -9.726 -5.724 1.00 0.00 N ATOM 1527 CA ILE A 99 -4.633 -8.369 -5.295 1.00 0.00 C ATOM 1528 C ILE A 99 -3.376 -7.548 -5.034 1.00 0.00 C ATOM 1529 O ILE A 99 -2.725 -7.712 -4.002 1.00 0.00 O ATOM 1530 CB ILE A 99 -5.492 -8.346 -4.007 1.00 0.00 C ATOM 1531 CG1 ILE A 99 -6.544 -9.459 -4.002 1.00 0.00 C ATOM 1532 CG2 ILE A 99 -6.176 -6.992 -3.859 1.00 0.00 C ATOM 1533 CD1 ILE A 99 -6.055 -10.765 -3.419 1.00 0.00 C ATOM 0 H ILE A 99 -3.791 -10.277 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.206 -7.935 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.822 -8.515 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.412 -9.122 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.879 -9.632 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.778 -6.986 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.421 -6.208 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.819 -6.813 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.858 -11.501 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.207 -11.128 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.747 -10.609 -2.385 1.00 0.00 H new ATOM 1648 N ASP A 108 9.074 -12.652 -8.147 1.00 0.00 N ATOM 1649 CA ASP A 108 9.728 -11.799 -7.164 1.00 0.00 C ATOM 1650 C ASP A 108 8.948 -11.812 -5.858 1.00 0.00 C ATOM 1651 O ASP A 108 9.508 -12.043 -4.788 1.00 0.00 O ATOM 1652 CB ASP A 108 9.830 -10.361 -7.686 1.00 0.00 C ATOM 1653 CG ASP A 108 10.937 -9.577 -7.012 1.00 0.00 C ATOM 1654 OD1 ASP A 108 10.710 -9.056 -5.904 1.00 0.00 O ATOM 1655 OD2 ASP A 108 12.035 -9.484 -7.597 1.00 0.00 O ATOM 0 HA ASP A 108 10.732 -12.185 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.005 -10.380 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.880 -9.852 -7.527 1.00 0.00 H new ATOM 1660 N ALA A 109 7.644 -11.586 -5.964 1.00 0.00 N ATOM 1661 CA ALA A 109 6.764 -11.562 -4.803 1.00 0.00 C ATOM 1662 C ALA A 109 6.836 -12.870 -4.024 1.00 0.00 C ATOM 1663 O ALA A 109 6.862 -12.873 -2.795 1.00 0.00 O ATOM 1664 CB ALA A 109 5.332 -11.279 -5.233 1.00 0.00 C ATOM 0 H ALA A 109 7.170 -11.415 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 109 7.101 -10.762 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.685 -11.264 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.287 -10.312 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.997 -12.058 -5.918 1.00 0.00 H new ATOM 1670 N LYS A 110 6.905 -13.980 -4.743 1.00 0.00 N ATOM 1671 CA LYS A 110 6.880 -15.294 -4.117 1.00 0.00 C ATOM 1672 C LYS A 110 8.260 -15.722 -3.609 1.00 0.00 C ATOM 1673 O LYS A 110 8.423 -16.844 -3.130 1.00 0.00 O ATOM 1674 CB LYS A 110 6.295 -16.335 -5.073 1.00 0.00 C ATOM 1675 CG LYS A 110 4.842 -16.053 -5.440 1.00 0.00 C ATOM 1676 CD LYS A 110 4.169 -17.233 -6.134 1.00 0.00 C ATOM 1677 CE LYS A 110 4.625 -17.408 -7.579 1.00 0.00 C ATOM 1678 NZ LYS A 110 5.990 -17.986 -7.685 1.00 0.00 N ATOM 0 H LYS A 110 6.979 -13.998 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 110 6.233 -15.225 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.895 -16.364 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.364 -17.321 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.286 -15.803 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.799 -15.181 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.382 -18.146 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.088 -17.092 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.920 -18.054 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.605 -16.441 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.004 -18.709 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.669 -17.233 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.254 -18.421 -6.778 1.00 0.00 H new ATOM 1692 N LYS A 111 9.253 -14.840 -3.720 1.00 0.00 N ATOM 1693 CA LYS A 111 10.552 -15.084 -3.093 1.00 0.00 C ATOM 1694 C LYS A 111 10.457 -14.784 -1.606 1.00 0.00 C ATOM 1695 O LYS A 111 11.078 -15.445 -0.774 1.00 0.00 O ATOM 1696 CB LYS A 111 11.651 -14.179 -3.669 1.00 0.00 C ATOM 1697 CG LYS A 111 11.857 -14.267 -5.168 1.00 0.00 C ATOM 1698 CD LYS A 111 12.937 -13.289 -5.613 1.00 0.00 C ATOM 1699 CE LYS A 111 12.921 -13.065 -7.116 1.00 0.00 C ATOM 1700 NZ LYS A 111 13.255 -14.297 -7.874 1.00 0.00 N ATOM 0 H LYS A 111 9.185 -13.960 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 111 10.809 -16.126 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.416 -13.146 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.592 -14.423 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.141 -15.283 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.922 -14.046 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.795 -12.336 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.914 -13.668 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.935 -12.712 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.633 -12.280 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.231 -14.094 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.207 -14.621 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.561 -15.040 -7.652 1.00 0.00 H new ATOM 1714 N GLY A 112 9.646 -13.787 -1.294 1.00 0.00 N ATOM 1715 CA GLY A 112 9.666 -13.191 0.018 1.00 0.00 C ATOM 1716 C GLY A 112 10.295 -11.822 -0.068 1.00 0.00 C ATOM 1717 O GLY A 112 11.517 -11.693 -0.035 1.00 0.00 O ATOM 0 H GLY A 112 8.968 -13.378 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.652 -13.114 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.229 -13.820 0.708 1.00 0.00 H new ATOM 1721 N ILE A 113 9.456 -10.803 -0.200 1.00 0.00 N ATOM 1722 CA ILE A 113 9.924 -9.463 -0.534 1.00 0.00 C ATOM 1723 C ILE A 113 10.836 -8.889 0.545 1.00 0.00 C ATOM 1724 O ILE A 113 10.494 -8.850 1.728 1.00 0.00 O ATOM 1725 CB ILE A 113 8.739 -8.498 -0.784 1.00 0.00 C ATOM 1726 CG1 ILE A 113 7.921 -8.956 -2.000 1.00 0.00 C ATOM 1727 CG2 ILE A 113 9.232 -7.069 -0.983 1.00 0.00 C ATOM 1728 CD1 ILE A 113 8.699 -8.949 -3.302 1.00 0.00 C ATOM 0 H ILE A 113 8.446 -10.879 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 113 10.503 -9.559 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 113 8.096 -8.516 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.548 -9.964 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.051 -8.308 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.380 -6.411 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.768 -6.741 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.901 -7.031 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.053 -9.285 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.049 -7.938 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.555 -9.619 -3.218 1.00 0.00 H new ATOM 1740 N THR A 114 12.006 -8.447 0.113 1.00 0.00 N ATOM 1741 CA THR A 114 12.993 -7.869 1.003 1.00 0.00 C ATOM 1742 C THR A 114 13.061 -6.363 0.785 1.00 0.00 C ATOM 1743 O THR A 114 12.269 -5.809 0.019 1.00 0.00 O ATOM 1744 CB THR A 114 14.381 -8.487 0.756 1.00 0.00 C ATOM 1745 OG1 THR A 114 14.709 -8.397 -0.636 1.00 0.00 O ATOM 1746 CG2 THR A 114 14.414 -9.943 1.197 1.00 0.00 C ATOM 0 H THR A 114 12.296 -8.480 -0.864 1.00 0.00 H new ATOM 0 HA THR A 114 12.696 -8.080 2.030 1.00 0.00 H new ATOM 0 HB THR A 114 15.114 -7.933 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.296 -9.143 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.405 -10.357 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 114 14.187 -10.006 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 114 13.673 -10.511 0.634 1.00 0.00 H new ATOM 1754 N MET A 115 14.009 -5.702 1.432 1.00 0.00 N ATOM 1755 CA MET A 115 14.142 -4.262 1.290 1.00 0.00 C ATOM 1756 C MET A 115 14.743 -3.932 -0.068 1.00 0.00 C ATOM 1757 O MET A 115 14.270 -3.034 -0.763 1.00 0.00 O ATOM 1758 CB MET A 115 15.002 -3.677 2.412 1.00 0.00 C ATOM 1759 CG MET A 115 15.094 -2.161 2.370 1.00 0.00 C ATOM 1760 SD MET A 115 13.478 -1.369 2.486 1.00 0.00 S ATOM 1761 CE MET A 115 13.944 0.354 2.374 1.00 0.00 C ATOM 0 H MET A 115 14.691 -6.135 2.054 1.00 0.00 H new ATOM 0 HA MET A 115 13.151 -3.814 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.590 -3.983 3.374 1.00 0.00 H new ATOM 0 HB3 MET A 115 16.006 -4.097 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.724 -1.815 3.189 1.00 0.00 H new ATOM 0 HG3 MET A 115 15.580 -1.855 1.443 1.00 0.00 H new ATOM 0 HE1 MET A 115 13.840 0.823 3.352 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.980 0.430 2.044 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.297 0.860 1.658 1.00 0.00 H new ATOM 1771 N ALA A 116 15.772 -4.684 -0.450 1.00 0.00 N ATOM 1772 CA ALA A 116 16.407 -4.509 -1.750 1.00 0.00 C ATOM 1773 C ALA A 116 15.386 -4.678 -2.869 1.00 0.00 C ATOM 1774 O ALA A 116 15.336 -3.879 -3.808 1.00 0.00 O ATOM 1775 CB ALA A 116 17.548 -5.501 -1.915 1.00 0.00 C ATOM 0 H ALA A 116 16.183 -5.420 0.124 1.00 0.00 H new ATOM 0 HA ALA A 116 16.813 -3.499 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 116 18.014 -5.360 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 116 18.288 -5.338 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 116 17.160 -6.517 -1.842 1.00 0.00 H new ATOM 1781 N GLN A 117 14.563 -5.715 -2.750 1.00 0.00 N ATOM 1782 CA GLN A 117 13.492 -5.963 -3.705 1.00 0.00 C ATOM 1783 C GLN A 117 12.529 -4.789 -3.757 1.00 0.00 C ATOM 1784 O GLN A 117 12.352 -4.185 -4.804 1.00 0.00 O ATOM 1785 CB GLN A 117 12.741 -7.241 -3.344 1.00 0.00 C ATOM 1786 CG GLN A 117 13.422 -8.502 -3.839 1.00 0.00 C ATOM 1787 CD GLN A 117 12.855 -9.758 -3.212 1.00 0.00 C ATOM 1788 OE1 GLN A 117 13.334 -10.218 -2.175 1.00 0.00 O ATOM 1789 NE2 GLN A 117 11.821 -10.307 -3.822 1.00 0.00 N ATOM 0 H GLN A 117 14.619 -6.400 -1.996 1.00 0.00 H new ATOM 0 HA GLN A 117 13.941 -6.084 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 117 12.634 -7.297 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.735 -7.193 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 117 13.320 -8.564 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 117 14.489 -8.443 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.456 -9.893 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.387 -11.145 -3.436 1.00 0.00 H new ATOM 1798 N MET A 118 11.928 -4.469 -2.617 1.00 0.00 N ATOM 1799 CA MET A 118 10.957 -3.382 -2.517 1.00 0.00 C ATOM 1800 C MET A 118 11.447 -2.105 -3.203 1.00 0.00 C ATOM 1801 O MET A 118 10.729 -1.526 -4.014 1.00 0.00 O ATOM 1802 CB MET A 118 10.643 -3.083 -1.049 1.00 0.00 C ATOM 1803 CG MET A 118 9.443 -2.167 -0.855 1.00 0.00 C ATOM 1804 SD MET A 118 7.877 -3.060 -0.710 1.00 0.00 S ATOM 1805 CE MET A 118 7.864 -4.037 -2.211 1.00 0.00 C ATOM 0 H MET A 118 12.099 -4.954 -1.736 1.00 0.00 H new ATOM 0 HA MET A 118 10.054 -3.713 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 118 10.460 -4.022 -0.527 1.00 0.00 H new ATOM 0 HB3 MET A 118 11.517 -2.626 -0.585 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.595 -1.566 0.042 1.00 0.00 H new ATOM 0 HG3 MET A 118 9.383 -1.476 -1.696 1.00 0.00 H new ATOM 0 HE1 MET A 118 6.929 -4.594 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 118 7.953 -3.378 -3.075 1.00 0.00 H new ATOM 0 HE3 MET A 118 8.702 -4.734 -2.199 1.00 0.00 H new ATOM 1815 N GLU A 119 12.666 -1.682 -2.889 1.00 0.00 N ATOM 1816 CA GLU A 119 13.211 -0.442 -3.440 1.00 0.00 C ATOM 1817 C GLU A 119 13.248 -0.471 -4.970 1.00 0.00 C ATOM 1818 O GLU A 119 12.652 0.382 -5.630 1.00 0.00 O ATOM 1819 CB GLU A 119 14.619 -0.184 -2.894 1.00 0.00 C ATOM 1820 CG GLU A 119 14.672 0.002 -1.386 1.00 0.00 C ATOM 1821 CD GLU A 119 13.931 1.236 -0.911 1.00 0.00 C ATOM 1822 OE1 GLU A 119 12.688 1.196 -0.830 1.00 0.00 O ATOM 1823 OE2 GLU A 119 14.593 2.249 -0.591 1.00 0.00 O ATOM 0 H GLU A 119 13.296 -2.176 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 119 12.550 0.368 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.263 -1.019 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.027 0.706 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.247 -0.878 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.713 0.067 -1.071 1.00 0.00 H new ATOM 1830 N LEU A 120 13.942 -1.455 -5.535 1.00 0.00 N ATOM 1831 CA LEU A 120 14.100 -1.540 -6.989 1.00 0.00 C ATOM 1832 C LEU A 120 12.775 -1.860 -7.676 1.00 0.00 C ATOM 1833 O LEU A 120 12.479 -1.340 -8.752 1.00 0.00 O ATOM 1834 CB LEU A 120 15.139 -2.603 -7.372 1.00 0.00 C ATOM 1835 CG LEU A 120 16.608 -2.183 -7.247 1.00 0.00 C ATOM 1836 CD1 LEU A 120 17.015 -2.020 -5.790 1.00 0.00 C ATOM 1837 CD2 LEU A 120 17.506 -3.197 -7.940 1.00 0.00 C ATOM 0 H LEU A 120 14.402 -2.202 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 120 14.446 -0.563 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 120 14.978 -3.481 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 120 14.955 -2.907 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 120 16.725 -1.216 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 120 18.062 -1.722 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 120 16.395 -1.255 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 120 16.880 -2.966 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 120 18.547 -2.887 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 120 17.375 -4.175 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 120 17.241 -3.256 -8.996 1.00 0.00 H new ATOM 1849 N VAL A 121 11.986 -2.698 -7.032 1.00 0.00 N ATOM 1850 CA VAL A 121 10.746 -3.206 -7.600 1.00 0.00 C ATOM 1851 C VAL A 121 9.631 -2.153 -7.578 1.00 0.00 C ATOM 1852 O VAL A 121 8.877 -2.027 -8.544 1.00 0.00 O ATOM 1853 CB VAL A 121 10.325 -4.505 -6.864 1.00 0.00 C ATOM 1854 CG1 VAL A 121 8.825 -4.672 -6.765 1.00 0.00 C ATOM 1855 CG2 VAL A 121 10.922 -5.712 -7.561 1.00 0.00 C ATOM 0 H VAL A 121 12.185 -3.049 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 121 10.921 -3.443 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 121 10.708 -4.424 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.596 -5.599 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.401 -3.831 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.396 -4.707 -7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.622 -6.620 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.565 -5.751 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.009 -5.634 -7.557 1.00 0.00 H new ATOM 1865 N MET A 122 9.541 -1.378 -6.504 1.00 0.00 N ATOM 1866 CA MET A 122 8.526 -0.331 -6.420 1.00 0.00 C ATOM 1867 C MET A 122 8.839 0.811 -7.372 1.00 0.00 C ATOM 1868 O MET A 122 7.940 1.374 -8.002 1.00 0.00 O ATOM 1869 CB MET A 122 8.381 0.193 -4.994 1.00 0.00 C ATOM 1870 CG MET A 122 7.428 -0.640 -4.165 1.00 0.00 C ATOM 1871 SD MET A 122 5.812 -0.772 -4.949 1.00 0.00 S ATOM 1872 CE MET A 122 5.017 -1.970 -3.891 1.00 0.00 C ATOM 0 H MET A 122 10.149 -1.451 -5.688 1.00 0.00 H new ATOM 0 HA MET A 122 7.576 -0.777 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.359 0.206 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.027 1.223 -5.023 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.846 -1.636 -4.020 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.319 -0.194 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.005 -2.157 -4.249 1.00 0.00 H new ATOM 0 HE2 MET A 122 5.584 -2.901 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 122 4.976 -1.585 -2.872 1.00 0.00 H new ATOM 1882 N LYS A 123 10.114 1.140 -7.499 1.00 0.00 N ATOM 1883 CA LYS A 123 10.523 2.191 -8.412 1.00 0.00 C ATOM 1884 C LYS A 123 10.544 1.666 -9.847 1.00 0.00 C ATOM 1885 O LYS A 123 10.625 2.438 -10.802 1.00 0.00 O ATOM 1886 CB LYS A 123 11.877 2.764 -7.990 1.00 0.00 C ATOM 1887 CG LYS A 123 11.853 3.293 -6.562 1.00 0.00 C ATOM 1888 CD LYS A 123 13.148 3.979 -6.164 1.00 0.00 C ATOM 1889 CE LYS A 123 13.339 5.296 -6.900 1.00 0.00 C ATOM 1890 NZ LYS A 123 14.378 6.142 -6.254 1.00 0.00 N ATOM 0 H LYS A 123 10.877 0.698 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 123 9.799 3.005 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 123 12.641 1.991 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 123 12.158 3.568 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 123 11.027 3.996 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.660 2.467 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.148 4.160 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.989 3.319 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.622 5.097 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 123 12.394 5.838 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.699 6.869 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.977 6.601 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.185 5.548 -5.974 1.00 0.00 H new ATOM 1904 N ALA A 124 10.451 0.347 -9.990 1.00 0.00 N ATOM 1905 CA ALA A 124 10.276 -0.279 -11.297 1.00 0.00 C ATOM 1906 C ALA A 124 8.826 -0.147 -11.747 1.00 0.00 C ATOM 1907 O ALA A 124 8.534 -0.107 -12.943 1.00 0.00 O ATOM 1908 CB ALA A 124 10.677 -1.748 -11.242 1.00 0.00 C ATOM 0 H ALA A 124 10.494 -0.312 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 124 10.919 0.228 -12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.540 -2.199 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.723 -1.829 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.054 -2.268 -10.514 1.00 0.00 H new ATOM 1914 N ALA A 125 7.918 -0.069 -10.778 1.00 0.00 N ATOM 1915 CA ALA A 125 6.495 0.085 -11.060 1.00 0.00 C ATOM 1916 C ALA A 125 6.185 1.499 -11.544 1.00 0.00 C ATOM 1917 O ALA A 125 5.084 1.778 -12.020 1.00 0.00 O ATOM 1918 CB ALA A 125 5.668 -0.250 -9.823 1.00 0.00 C ATOM 0 H ALA A 125 8.145 -0.110 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 125 6.229 -0.611 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.609 -0.130 -10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 125 5.861 -1.280 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.943 0.421 -9.009 1.00 0.00 H new ATOM 1924 N GLY A 126 7.166 2.384 -11.431 1.00 0.00 N ATOM 1925 CA GLY A 126 6.987 3.752 -11.873 1.00 0.00 C ATOM 1926 C GLY A 126 6.392 4.623 -10.790 1.00 0.00 C ATOM 1927 O GLY A 126 5.879 5.710 -11.060 1.00 0.00 O ATOM 0 H GLY A 126 8.085 2.178 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.949 4.162 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.338 3.768 -12.749 1.00 0.00 H new ATOM 1931 N PHE A 127 6.448 4.136 -9.563 1.00 0.00 N ATOM 1932 CA PHE A 127 5.956 4.887 -8.421 1.00 0.00 C ATOM 1933 C PHE A 127 7.095 5.714 -7.840 1.00 0.00 C ATOM 1934 O PHE A 127 8.263 5.357 -8.001 1.00 0.00 O ATOM 1935 CB PHE A 127 5.391 3.938 -7.360 1.00 0.00 C ATOM 1936 CG PHE A 127 4.296 3.032 -7.862 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.458 3.431 -8.891 1.00 0.00 C ATOM 1938 CD2 PHE A 127 4.111 1.778 -7.303 1.00 0.00 C ATOM 1939 CE1 PHE A 127 2.455 2.600 -9.348 1.00 0.00 C ATOM 1940 CE2 PHE A 127 3.108 0.942 -7.756 1.00 0.00 C ATOM 1941 CZ PHE A 127 2.279 1.354 -8.783 1.00 0.00 C ATOM 0 H PHE A 127 6.831 3.220 -9.331 1.00 0.00 H new ATOM 0 HA PHE A 127 5.154 5.551 -8.743 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.203 3.325 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.006 4.528 -6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.591 4.404 -9.341 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.759 1.450 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.807 2.926 -10.149 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.972 -0.031 -7.309 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.496 0.702 -9.142 1.00 0.00 H new ATOM 1951 N LYS A 128 6.775 6.811 -7.165 1.00 0.00 N ATOM 1952 CA LYS A 128 7.817 7.674 -6.632 1.00 0.00 C ATOM 1953 C LYS A 128 7.733 7.748 -5.120 1.00 0.00 C ATOM 1954 O LYS A 128 6.644 7.747 -4.539 1.00 0.00 O ATOM 1955 CB LYS A 128 7.746 9.086 -7.228 1.00 0.00 C ATOM 1956 CG LYS A 128 6.547 9.901 -6.767 1.00 0.00 C ATOM 1957 CD LYS A 128 6.645 11.348 -7.225 1.00 0.00 C ATOM 1958 CE LYS A 128 7.807 12.080 -6.563 1.00 0.00 C ATOM 1959 NZ LYS A 128 7.635 12.203 -5.088 1.00 0.00 N ATOM 0 H LYS A 128 5.821 7.119 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 128 8.774 7.235 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 128 8.658 9.624 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.721 9.008 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.632 9.456 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.479 9.867 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.768 11.378 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 128 5.713 11.865 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 128 8.735 11.549 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.902 13.074 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.013 13.118 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 6.624 12.144 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.148 11.433 -4.613 1.00 0.00 H new ATOM 1973 N GLU A 129 8.893 7.804 -4.494 1.00 0.00 N ATOM 1974 CA GLU A 129 8.983 7.928 -3.056 1.00 0.00 C ATOM 1975 C GLU A 129 8.614 9.343 -2.640 1.00 0.00 C ATOM 1976 O GLU A 129 8.841 10.295 -3.390 1.00 0.00 O ATOM 1977 CB GLU A 129 10.401 7.601 -2.600 1.00 0.00 C ATOM 1978 CG GLU A 129 10.904 6.264 -3.109 1.00 0.00 C ATOM 1979 CD GLU A 129 12.399 6.115 -2.944 1.00 0.00 C ATOM 1980 OE1 GLU A 129 12.839 5.657 -1.872 1.00 0.00 O ATOM 1981 OE2 GLU A 129 13.140 6.468 -3.886 1.00 0.00 O ATOM 0 H GLU A 129 9.795 7.765 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 129 8.290 7.229 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.075 8.388 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.434 7.602 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.399 5.460 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.644 6.157 -4.162 1.00 0.00 H new ATOM 1988 N VAL A 130 8.017 9.479 -1.470 1.00 0.00 N ATOM 1989 CA VAL A 130 7.722 10.793 -0.921 1.00 0.00 C ATOM 1990 C VAL A 130 8.445 10.977 0.402 1.00 0.00 C ATOM 1991 O VAL A 130 8.620 12.103 0.872 1.00 0.00 O ATOM 1992 CB VAL A 130 6.204 11.021 -0.724 1.00 0.00 C ATOM 1993 CG1 VAL A 130 5.481 10.980 -2.059 1.00 0.00 C ATOM 1994 CG2 VAL A 130 5.614 9.996 0.233 1.00 0.00 C ATOM 0 H VAL A 130 7.727 8.698 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 130 8.073 11.531 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 130 6.068 12.009 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.415 11.142 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.874 11.761 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.634 10.007 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.546 10.181 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.766 8.994 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.106 10.077 1.202 1.00 0.00 H new ATOM 2004 N LYS A 131 8.880 9.851 0.981 1.00 0.00 N ATOM 2005 CA LYS A 131 9.579 9.837 2.261 1.00 0.00 C ATOM 2006 C LYS A 131 8.677 10.443 3.330 1.00 0.00 C ATOM 2007 O LYS A 131 7.451 10.452 3.194 1.00 0.00 O ATOM 2008 CB LYS A 131 10.893 10.635 2.165 1.00 0.00 C ATOM 2009 CG LYS A 131 11.744 10.306 0.943 1.00 0.00 C ATOM 2010 CD LYS A 131 12.320 8.901 1.005 1.00 0.00 C ATOM 2011 CE LYS A 131 13.094 8.559 -0.262 1.00 0.00 C ATOM 2012 NZ LYS A 131 14.151 9.560 -0.563 1.00 0.00 N ATOM 0 H LYS A 131 8.754 8.926 0.570 1.00 0.00 H new ATOM 0 HA LYS A 131 9.821 8.808 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.657 11.699 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.482 10.450 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.139 10.409 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.558 11.027 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.978 8.814 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 131 11.513 8.182 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.549 7.575 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.403 8.499 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.769 9.197 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.709 10.448 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.716 9.736 0.292 1.00 0.00 H new