USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 45 SER OG : rot 86:sc= 1.21 USER MOD Set 1.2: A 58 THR OG1 : rot 81:sc=-0.00298 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -1.4 K(o=-1.5,f=-10!) USER MOD Set 2.2: A 56 HIS :FLIP no HD1:sc= -0.0523 F(o=-2.2,f=-1.5) USER MOD Single : A 12 GLN : amide:sc= 2.41 K(o=2.4,f=-9.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.644 USER MOD Single : A 22 SER OG : rot 177:sc= 1.07 USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0645) USER MOD Single : A 27 SER OG : rot 180:sc= -0.158 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 37 SER OG : rot 180:sc= 0.146 USER MOD Single : A 46 HIS : no HD1:sc= 0.596 K(o=0.6,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0647) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.403 K(o=0.4,f=-2.3) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.0867 K(o=0.087,f=-2!) USER MOD Single : A 64 ASN : amide:sc= 0.571 K(o=0.57,f=-0.15) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.669 F(o=-1.3,f=-0.67) USER MOD Single : A 70 THR OG1 : rot -6:sc= 1.08 USER MOD Single : A 71 SER OG : rot 180:sc= -0.315 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 0.732 (180deg=-0.00598) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0.573 (180deg=0.446) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.737 1.421 -7.877 1.00 0.00 N ATOM 62 CA GLY A 5 11.717 0.385 -7.918 1.00 0.00 C ATOM 63 C GLY A 5 11.822 -0.488 -6.673 1.00 0.00 C ATOM 64 O GLY A 5 10.932 -0.481 -5.824 1.00 0.00 O ATOM 0 HA2 GLY A 5 10.727 0.838 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.840 -0.225 -8.813 1.00 0.00 H new ATOM 68 N ALA A 6 12.915 -1.245 -6.576 1.00 0.00 N ATOM 69 CA ALA A 6 13.226 -2.072 -5.421 1.00 0.00 C ATOM 70 C ALA A 6 13.617 -1.124 -4.292 1.00 0.00 C ATOM 71 O ALA A 6 14.409 -0.206 -4.503 1.00 0.00 O ATOM 72 CB ALA A 6 14.354 -3.049 -5.757 1.00 0.00 C ATOM 0 H ALA A 6 13.618 -1.298 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 6 12.370 -2.677 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.577 -3.662 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.045 -3.691 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.245 -2.491 -6.045 1.00 0.00 H new ATOM 78 N CYS A 7 13.027 -1.315 -3.115 1.00 0.00 N ATOM 79 CA CYS A 7 13.159 -0.406 -1.990 1.00 0.00 C ATOM 80 C CYS A 7 13.262 -1.149 -0.657 1.00 0.00 C ATOM 81 O CYS A 7 12.845 -2.300 -0.552 1.00 0.00 O ATOM 82 CB CYS A 7 11.942 0.519 -2.058 1.00 0.00 C ATOM 83 SG CYS A 7 11.477 1.304 -0.514 1.00 0.00 S ATOM 0 H CYS A 7 12.434 -2.121 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 7 14.084 0.167 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.140 1.297 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.091 -0.056 -2.423 1.00 0.00 H new ATOM 88 N GLU A 8 13.828 -0.482 0.353 1.00 0.00 N ATOM 89 CA GLU A 8 13.928 -0.933 1.724 1.00 0.00 C ATOM 90 C GLU A 8 12.827 -0.259 2.554 1.00 0.00 C ATOM 91 O GLU A 8 12.156 -0.944 3.321 1.00 0.00 O ATOM 92 CB GLU A 8 15.295 -0.550 2.281 1.00 0.00 C ATOM 93 CG GLU A 8 16.483 -1.156 1.530 1.00 0.00 C ATOM 94 CD GLU A 8 17.768 -0.483 1.996 1.00 0.00 C ATOM 95 OE1 GLU A 8 18.274 -0.882 3.068 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.185 0.471 1.303 1.00 0.00 O ATOM 0 H GLU A 8 14.249 0.437 0.217 1.00 0.00 H new ATOM 0 HA GLU A 8 13.809 -2.016 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.388 0.536 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.347 -0.859 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.534 -2.229 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.357 -1.021 0.456 1.00 0.00 H new ATOM 103 N ARG A 9 12.651 1.069 2.429 1.00 0.00 N ATOM 104 CA ARG A 9 11.591 1.803 3.129 1.00 0.00 C ATOM 105 C ARG A 9 11.104 3.036 2.353 1.00 0.00 C ATOM 106 O ARG A 9 11.872 3.651 1.609 1.00 0.00 O ATOM 107 CB ARG A 9 11.973 2.144 4.580 1.00 0.00 C ATOM 108 CG ARG A 9 12.946 3.318 4.790 1.00 0.00 C ATOM 109 CD ARG A 9 14.358 3.099 4.236 1.00 0.00 C ATOM 110 NE ARG A 9 15.029 1.964 4.885 1.00 0.00 N ATOM 111 CZ ARG A 9 16.269 1.548 4.591 1.00 0.00 C ATOM 112 NH1 ARG A 9 17.002 2.193 3.676 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.766 0.463 5.191 1.00 0.00 N ATOM 0 H ARG A 9 13.240 1.658 1.841 1.00 0.00 H new ATOM 0 HA ARG A 9 10.741 1.122 3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.057 2.361 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.413 1.255 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.523 4.208 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.019 3.522 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.304 2.923 3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.950 4.003 4.382 1.00 0.00 H new ATOM 0 HE ARG A 9 14.517 1.459 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.618 3.007 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.945 1.870 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.202 -0.047 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.709 0.144 4.969 1.00 0.00 H new ATOM 127 N ASP A 10 9.826 3.388 2.568 1.00 0.00 N ATOM 128 CA ASP A 10 9.053 4.459 1.922 1.00 0.00 C ATOM 129 C ASP A 10 9.878 5.686 1.534 1.00 0.00 C ATOM 130 O ASP A 10 9.773 6.183 0.410 1.00 0.00 O ATOM 131 CB ASP A 10 7.918 4.920 2.853 1.00 0.00 C ATOM 132 CG ASP A 10 6.691 4.021 2.892 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.699 2.908 2.324 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.713 4.442 3.546 1.00 0.00 O ATOM 0 H ASP A 10 9.261 2.889 3.255 1.00 0.00 H new ATOM 0 HA ASP A 10 8.670 4.023 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.315 5.006 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.605 5.918 2.547 1.00 0.00 H new ATOM 139 N LEU A 11 10.662 6.192 2.490 1.00 0.00 N ATOM 140 CA LEU A 11 11.511 7.371 2.351 1.00 0.00 C ATOM 141 C LEU A 11 12.288 7.398 1.032 1.00 0.00 C ATOM 142 O LEU A 11 12.508 8.467 0.469 1.00 0.00 O ATOM 143 CB LEU A 11 12.511 7.439 3.516 1.00 0.00 C ATOM 144 CG LEU A 11 11.889 7.529 4.920 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.024 7.531 5.951 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.049 8.800 5.095 1.00 0.00 C ATOM 0 H LEU A 11 10.723 5.772 3.418 1.00 0.00 H new ATOM 0 HA LEU A 11 10.844 8.233 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.149 6.556 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.156 8.305 3.368 1.00 0.00 H new ATOM 0 HG LEU A 11 11.228 6.674 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.604 7.594 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.602 6.612 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.674 8.388 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.629 8.823 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.680 9.676 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.241 8.805 4.364 1.00 0.00 H new ATOM 158 N GLN A 12 12.715 6.233 0.539 1.00 0.00 N ATOM 159 CA GLN A 12 13.512 6.133 -0.677 1.00 0.00 C ATOM 160 C GLN A 12 12.730 6.472 -1.953 1.00 0.00 C ATOM 161 O GLN A 12 13.343 6.604 -3.009 1.00 0.00 O ATOM 162 CB GLN A 12 14.113 4.727 -0.755 1.00 0.00 C ATOM 163 CG GLN A 12 15.077 4.499 0.417 1.00 0.00 C ATOM 164 CD GLN A 12 15.512 3.045 0.512 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.671 2.155 0.598 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.817 2.794 0.544 1.00 0.00 N ATOM 0 H GLN A 12 12.515 5.333 0.976 1.00 0.00 H new ATOM 0 HA GLN A 12 14.302 6.881 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.318 3.982 -0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.641 4.601 -1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.954 5.134 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.595 4.796 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.486 3.561 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.150 1.835 0.643 1.00 0.00 H new ATOM 175 N CYS A 13 11.402 6.606 -1.877 1.00 0.00 N ATOM 176 CA CYS A 13 10.555 6.881 -3.034 1.00 0.00 C ATOM 177 C CYS A 13 9.620 8.052 -2.760 1.00 0.00 C ATOM 178 O CYS A 13 9.493 8.944 -3.597 1.00 0.00 O ATOM 179 CB CYS A 13 9.776 5.623 -3.401 1.00 0.00 C ATOM 180 SG CYS A 13 10.830 4.245 -3.899 1.00 0.00 S ATOM 0 H CYS A 13 10.884 6.525 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 13 11.184 7.164 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.171 5.318 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.087 5.855 -4.213 1.00 0.00 H new ATOM 185 N GLY A 14 8.970 8.059 -1.594 1.00 0.00 N ATOM 186 CA GLY A 14 8.092 9.143 -1.179 1.00 0.00 C ATOM 187 C GLY A 14 6.611 8.808 -1.352 1.00 0.00 C ATOM 188 O GLY A 14 6.243 7.903 -2.103 1.00 0.00 O ATOM 0 H GLY A 14 9.042 7.305 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.286 9.381 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.327 10.036 -1.758 1.00 0.00 H new ATOM 192 N LYS A 15 5.783 9.608 -0.666 1.00 0.00 N ATOM 193 CA LYS A 15 4.332 9.515 -0.511 1.00 0.00 C ATOM 194 C LYS A 15 3.510 9.159 -1.753 1.00 0.00 C ATOM 195 O LYS A 15 2.404 8.644 -1.613 1.00 0.00 O ATOM 196 CB LYS A 15 3.811 10.801 0.150 1.00 0.00 C ATOM 197 CG LYS A 15 4.040 12.055 -0.706 1.00 0.00 C ATOM 198 CD LYS A 15 3.521 13.293 0.035 1.00 0.00 C ATOM 199 CE LYS A 15 3.729 14.553 -0.812 1.00 0.00 C ATOM 200 NZ LYS A 15 3.238 15.755 -0.115 1.00 0.00 N ATOM 0 H LYS A 15 6.152 10.412 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 15 4.180 8.643 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.745 10.694 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.303 10.932 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.102 12.169 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.528 11.952 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.462 13.171 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.041 13.398 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.789 14.670 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.209 14.444 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.393 16.591 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.222 15.652 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.753 15.871 0.781 1.00 0.00 H new ATOM 214 N GLY A 16 3.997 9.448 -2.962 1.00 0.00 N ATOM 215 CA GLY A 16 3.300 9.040 -4.179 1.00 0.00 C ATOM 216 C GLY A 16 3.233 7.510 -4.284 1.00 0.00 C ATOM 217 O GLY A 16 2.440 6.956 -5.047 1.00 0.00 O ATOM 0 H GLY A 16 4.865 9.959 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.291 9.453 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.813 9.446 -5.051 1.00 0.00 H new ATOM 221 N THR A 17 4.083 6.821 -3.522 1.00 0.00 N ATOM 222 CA THR A 17 4.189 5.383 -3.479 1.00 0.00 C ATOM 223 C THR A 17 4.358 4.945 -2.024 1.00 0.00 C ATOM 224 O THR A 17 4.456 5.782 -1.127 1.00 0.00 O ATOM 225 CB THR A 17 5.446 4.982 -4.274 1.00 0.00 C ATOM 226 OG1 THR A 17 6.606 5.521 -3.661 1.00 0.00 O ATOM 227 CG2 THR A 17 5.431 5.463 -5.727 1.00 0.00 C ATOM 0 H THR A 17 4.741 7.282 -2.894 1.00 0.00 H new ATOM 0 HA THR A 17 3.300 4.914 -3.902 1.00 0.00 H new ATOM 0 HB THR A 17 5.455 3.892 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.354 6.281 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.347 5.145 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.570 5.037 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.365 6.551 -5.750 1.00 0.00 H new ATOM 235 N CYS A 18 4.398 3.633 -1.800 1.00 0.00 N ATOM 236 CA CYS A 18 4.752 3.031 -0.531 1.00 0.00 C ATOM 237 C CYS A 18 5.607 1.802 -0.848 1.00 0.00 C ATOM 238 O CYS A 18 5.402 1.135 -1.868 1.00 0.00 O ATOM 239 CB CYS A 18 3.520 2.725 0.322 1.00 0.00 C ATOM 240 SG CYS A 18 2.982 1.004 0.290 1.00 0.00 S ATOM 0 H CYS A 18 4.178 2.946 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 18 5.328 3.721 0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.732 3.005 1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.697 3.354 -0.016 1.00 0.00 H new ATOM 245 N CYS A 19 6.583 1.516 0.007 1.00 0.00 N ATOM 246 CA CYS A 19 7.561 0.452 -0.170 1.00 0.00 C ATOM 247 C CYS A 19 6.946 -0.892 0.215 1.00 0.00 C ATOM 248 O CYS A 19 7.313 -1.500 1.220 1.00 0.00 O ATOM 249 CB CYS A 19 8.756 0.821 0.697 1.00 0.00 C ATOM 250 SG CYS A 19 10.254 -0.117 0.399 1.00 0.00 S ATOM 0 H CYS A 19 6.718 2.038 0.873 1.00 0.00 H new ATOM 0 HA CYS A 19 7.879 0.349 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.976 1.878 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.474 0.698 1.743 1.00 0.00 H new ATOM 255 N ALA A 20 5.952 -1.320 -0.562 1.00 0.00 N ATOM 256 CA ALA A 20 5.170 -2.517 -0.291 1.00 0.00 C ATOM 257 C ALA A 20 6.017 -3.782 -0.369 1.00 0.00 C ATOM 258 O ALA A 20 7.074 -3.785 -0.986 1.00 0.00 O ATOM 259 CB ALA A 20 4.010 -2.592 -1.277 1.00 0.00 C ATOM 0 H ALA A 20 5.666 -0.833 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 20 4.788 -2.452 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.421 -3.487 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.379 -1.710 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.399 -2.632 -2.294 1.00 0.00 H new ATOM 265 N VAL A 21 5.559 -4.872 0.246 1.00 0.00 N ATOM 266 CA VAL A 21 6.286 -6.137 0.233 1.00 0.00 C ATOM 267 C VAL A 21 6.412 -6.666 -1.205 1.00 0.00 C ATOM 268 O VAL A 21 5.695 -6.225 -2.102 1.00 0.00 O ATOM 269 CB VAL A 21 5.570 -7.129 1.176 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.236 -8.505 1.263 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.604 -6.571 2.599 1.00 0.00 C ATOM 0 H VAL A 21 4.680 -4.902 0.763 1.00 0.00 H new ATOM 0 HA VAL A 21 7.304 -5.999 0.598 1.00 0.00 H new ATOM 0 HB VAL A 21 4.567 -7.247 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.671 -9.140 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.256 -8.963 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.256 -8.393 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.101 -7.264 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.639 -6.444 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.096 -5.607 2.624 1.00 0.00 H new ATOM 281 N SER A 22 7.337 -7.602 -1.434 1.00 0.00 N ATOM 282 CA SER A 22 7.509 -8.288 -2.710 1.00 0.00 C ATOM 283 C SER A 22 6.608 -9.525 -2.756 1.00 0.00 C ATOM 284 O SER A 22 6.446 -10.233 -1.761 1.00 0.00 O ATOM 285 CB SER A 22 8.978 -8.698 -2.866 1.00 0.00 C ATOM 286 OG SER A 22 9.170 -9.750 -3.800 1.00 0.00 O ATOM 0 H SER A 22 7.999 -7.908 -0.721 1.00 0.00 H new ATOM 0 HA SER A 22 7.232 -7.622 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.559 -7.831 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.367 -9.007 -1.896 1.00 0.00 H new ATOM 0 HG SER A 22 10.128 -9.934 -3.893 1.00 0.00 H new ATOM 292 N LEU A 23 6.026 -9.803 -3.924 1.00 0.00 N ATOM 293 CA LEU A 23 5.236 -11.003 -4.156 1.00 0.00 C ATOM 294 C LEU A 23 6.157 -12.225 -4.270 1.00 0.00 C ATOM 295 O LEU A 23 5.672 -13.352 -4.214 1.00 0.00 O ATOM 296 CB LEU A 23 4.452 -10.845 -5.472 1.00 0.00 C ATOM 297 CG LEU A 23 3.204 -9.950 -5.443 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.121 -10.475 -4.497 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.516 -8.493 -5.113 1.00 0.00 C ATOM 0 H LEU A 23 6.093 -9.194 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 23 4.549 -11.145 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.133 -10.450 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.148 -11.837 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 23 2.817 -9.986 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.263 -9.803 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.810 -11.470 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.517 -10.527 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.592 -7.915 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.985 -8.435 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.194 -8.087 -5.864 1.00 0.00 H new ATOM 311 N TRP A 24 7.469 -12.013 -4.442 1.00 0.00 N ATOM 312 CA TRP A 24 8.430 -13.071 -4.716 1.00 0.00 C ATOM 313 C TRP A 24 9.239 -13.461 -3.481 1.00 0.00 C ATOM 314 O TRP A 24 9.424 -14.650 -3.233 1.00 0.00 O ATOM 315 CB TRP A 24 9.274 -12.641 -5.923 1.00 0.00 C ATOM 316 CG TRP A 24 8.399 -12.295 -7.093 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.814 -13.206 -7.904 1.00 0.00 C ATOM 318 CD2 TRP A 24 7.764 -11.018 -7.412 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.841 -12.599 -8.670 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.739 -11.257 -8.374 1.00 0.00 C ATOM 321 CE3 TRP A 24 7.894 -9.694 -6.935 1.00 0.00 C ATOM 322 CZ2 TRP A 24 5.858 -10.253 -8.800 1.00 0.00 C ATOM 323 CZ3 TRP A 24 7.018 -8.677 -7.357 1.00 0.00 C ATOM 324 CH2 TRP A 24 5.978 -8.964 -8.259 1.00 0.00 C ATOM 0 H TRP A 24 7.891 -11.086 -4.392 1.00 0.00 H new ATOM 0 HA TRP A 24 7.914 -13.996 -4.975 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.887 -11.780 -5.655 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.957 -13.445 -6.199 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.071 -14.254 -7.946 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.271 -13.081 -9.365 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.681 -9.458 -6.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.097 -10.469 -9.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.145 -7.671 -6.986 1.00 0.00 H new ATOM 0 HH2 TRP A 24 5.273 -8.194 -8.535 1.00 0.00 H new ATOM 335 N ILE A 25 9.718 -12.490 -2.696 1.00 0.00 N ATOM 336 CA ILE A 25 10.466 -12.773 -1.483 1.00 0.00 C ATOM 337 C ILE A 25 10.381 -11.578 -0.532 1.00 0.00 C ATOM 338 O ILE A 25 10.859 -10.492 -0.851 1.00 0.00 O ATOM 339 CB ILE A 25 11.908 -13.203 -1.818 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.553 -13.728 -0.531 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.746 -12.108 -2.494 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.871 -14.465 -0.786 1.00 0.00 C ATOM 0 H ILE A 25 9.595 -11.496 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 25 10.022 -13.620 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 25 11.870 -13.993 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.734 -12.893 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.857 -14.400 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.747 -12.489 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.273 -11.814 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.814 -11.243 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.282 -14.814 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.690 -15.318 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.580 -13.788 -1.261 1.00 0.00 H new ATOM 354 N LYS A 26 9.803 -11.784 0.657 1.00 0.00 N ATOM 355 CA LYS A 26 9.564 -10.741 1.654 1.00 0.00 C ATOM 356 C LYS A 26 10.826 -10.017 2.146 1.00 0.00 C ATOM 357 O LYS A 26 10.723 -9.042 2.889 1.00 0.00 O ATOM 358 CB LYS A 26 8.763 -11.317 2.830 1.00 0.00 C ATOM 359 CG LYS A 26 7.418 -11.904 2.380 1.00 0.00 C ATOM 360 CD LYS A 26 6.544 -12.205 3.605 1.00 0.00 C ATOM 361 CE LYS A 26 5.181 -12.786 3.211 1.00 0.00 C ATOM 362 NZ LYS A 26 4.360 -11.814 2.466 1.00 0.00 N ATOM 0 H LYS A 26 9.482 -12.704 0.957 1.00 0.00 H new ATOM 0 HA LYS A 26 8.984 -9.969 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.350 -12.092 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.588 -10.533 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.907 -11.202 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.583 -12.816 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.063 -12.908 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.396 -11.290 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.330 -13.677 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.647 -13.099 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.401 -12.196 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.309 -10.922 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.790 -11.637 1.536 1.00 0.00 H new ATOM 376 N SER A 27 12.018 -10.487 1.773 1.00 0.00 N ATOM 377 CA SER A 27 13.257 -9.802 2.085 1.00 0.00 C ATOM 378 C SER A 27 13.339 -8.511 1.259 1.00 0.00 C ATOM 379 O SER A 27 13.934 -7.532 1.701 1.00 0.00 O ATOM 380 CB SER A 27 14.424 -10.751 1.792 1.00 0.00 C ATOM 381 OG SER A 27 14.418 -11.152 0.438 1.00 0.00 O ATOM 0 H SER A 27 12.143 -11.352 1.247 1.00 0.00 H new ATOM 0 HA SER A 27 13.301 -9.523 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.367 -10.257 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.356 -11.628 2.436 1.00 0.00 H new ATOM 0 HG SER A 27 15.172 -11.756 0.272 1.00 0.00 H new ATOM 387 N VAL A 28 12.754 -8.522 0.054 1.00 0.00 N ATOM 388 CA VAL A 28 12.715 -7.392 -0.860 1.00 0.00 C ATOM 389 C VAL A 28 11.349 -6.716 -0.733 1.00 0.00 C ATOM 390 O VAL A 28 10.342 -7.368 -0.448 1.00 0.00 O ATOM 391 CB VAL A 28 12.967 -7.889 -2.299 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.813 -6.773 -3.342 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.380 -8.472 -2.429 1.00 0.00 C ATOM 0 H VAL A 28 12.282 -9.348 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 28 13.491 -6.666 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 28 12.215 -8.654 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.001 -7.176 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.801 -6.371 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.528 -5.978 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.539 -8.817 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.114 -7.704 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.492 -9.310 -1.741 1.00 0.00 H new ATOM 403 N ARG A 29 11.315 -5.401 -0.949 1.00 0.00 N ATOM 404 CA ARG A 29 10.109 -4.592 -0.956 1.00 0.00 C ATOM 405 C ARG A 29 10.206 -3.729 -2.218 1.00 0.00 C ATOM 406 O ARG A 29 11.307 -3.528 -2.736 1.00 0.00 O ATOM 407 CB ARG A 29 9.987 -3.791 0.352 1.00 0.00 C ATOM 408 CG ARG A 29 10.336 -4.648 1.567 1.00 0.00 C ATOM 409 CD ARG A 29 9.948 -3.946 2.874 1.00 0.00 C ATOM 410 NE ARG A 29 9.164 -4.847 3.725 1.00 0.00 N ATOM 411 CZ ARG A 29 9.560 -6.070 4.109 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.822 -6.471 3.938 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.670 -6.902 4.656 1.00 0.00 N ATOM 0 H ARG A 29 12.159 -4.857 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 29 9.194 -5.184 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.649 -2.926 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.971 -3.410 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.820 -5.606 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.405 -4.861 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.846 -3.626 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.370 -3.048 2.654 1.00 0.00 H new ATOM 0 HE ARG A 29 8.253 -4.521 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.503 -5.844 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.105 -7.404 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.702 -6.605 4.778 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.958 -7.834 4.952 1.00 0.00 H new ATOM 427 N VAL A 30 9.078 -3.276 -2.765 1.00 0.00 N ATOM 428 CA VAL A 30 9.012 -2.524 -4.005 1.00 0.00 C ATOM 429 C VAL A 30 8.073 -1.320 -3.852 1.00 0.00 C ATOM 430 O VAL A 30 6.995 -1.400 -3.252 1.00 0.00 O ATOM 431 CB VAL A 30 8.603 -3.447 -5.167 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.672 -4.509 -5.456 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.274 -4.168 -4.905 1.00 0.00 C ATOM 0 H VAL A 30 8.163 -3.430 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 30 10.000 -2.129 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 30 8.490 -2.789 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.344 -5.140 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.609 -4.019 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.823 -5.124 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.032 -4.806 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.362 -4.779 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.482 -3.432 -4.767 1.00 0.00 H new ATOM 443 N CYS A 31 8.501 -0.184 -4.401 1.00 0.00 N ATOM 444 CA CYS A 31 7.762 1.068 -4.349 1.00 0.00 C ATOM 445 C CYS A 31 6.551 0.984 -5.258 1.00 0.00 C ATOM 446 O CYS A 31 6.637 1.205 -6.463 1.00 0.00 O ATOM 447 CB CYS A 31 8.663 2.252 -4.676 1.00 0.00 C ATOM 448 SG CYS A 31 9.732 2.617 -3.278 1.00 0.00 S ATOM 0 H CYS A 31 9.387 -0.111 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 31 7.402 1.234 -3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.266 2.028 -5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.057 3.125 -4.918 1.00 0.00 H new ATOM 453 N THR A 32 5.415 0.668 -4.649 1.00 0.00 N ATOM 454 CA THR A 32 4.142 0.486 -5.315 1.00 0.00 C ATOM 455 C THR A 32 3.336 1.778 -5.136 1.00 0.00 C ATOM 456 O THR A 32 3.412 2.380 -4.066 1.00 0.00 O ATOM 457 CB THR A 32 3.473 -0.734 -4.675 1.00 0.00 C ATOM 458 OG1 THR A 32 4.379 -1.822 -4.720 1.00 0.00 O ATOM 459 CG2 THR A 32 2.187 -1.128 -5.403 1.00 0.00 C ATOM 0 H THR A 32 5.358 0.527 -3.640 1.00 0.00 H new ATOM 0 HA THR A 32 4.232 0.301 -6.385 1.00 0.00 H new ATOM 0 HB THR A 32 3.212 -0.480 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.915 -2.645 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.745 -1.998 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.482 -0.297 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.416 -1.370 -6.441 1.00 0.00 H new ATOM 467 N PRO A 33 2.624 2.261 -6.166 1.00 0.00 N ATOM 468 CA PRO A 33 1.794 3.454 -6.072 1.00 0.00 C ATOM 469 C PRO A 33 0.818 3.391 -4.895 1.00 0.00 C ATOM 470 O PRO A 33 0.376 2.304 -4.523 1.00 0.00 O ATOM 471 CB PRO A 33 1.022 3.511 -7.393 1.00 0.00 C ATOM 472 CG PRO A 33 1.948 2.801 -8.379 1.00 0.00 C ATOM 473 CD PRO A 33 2.617 1.729 -7.518 1.00 0.00 C ATOM 0 HA PRO A 33 2.408 4.338 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.057 3.009 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.823 4.539 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.393 2.363 -9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.679 3.485 -8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.068 0.789 -7.566 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.630 1.525 -7.864 1.00 0.00 H new ATOM 481 N VAL A 34 0.475 4.544 -4.307 1.00 0.00 N ATOM 482 CA VAL A 34 -0.560 4.565 -3.273 1.00 0.00 C ATOM 483 C VAL A 34 -1.873 4.027 -3.859 1.00 0.00 C ATOM 484 O VAL A 34 -2.106 4.121 -5.064 1.00 0.00 O ATOM 485 CB VAL A 34 -0.762 5.966 -2.668 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.294 6.255 -1.601 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.760 7.078 -3.720 1.00 0.00 C ATOM 0 H VAL A 34 0.888 5.451 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.232 3.924 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.751 5.960 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.131 7.250 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.219 5.515 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.287 6.206 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.907 8.041 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.195 7.079 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.567 6.906 -4.433 1.00 0.00 H new ATOM 497 N GLY A 35 -2.736 3.464 -3.013 1.00 0.00 N ATOM 498 CA GLY A 35 -3.993 2.890 -3.457 1.00 0.00 C ATOM 499 C GLY A 35 -4.886 3.961 -4.082 1.00 0.00 C ATOM 500 O GLY A 35 -5.306 4.890 -3.394 1.00 0.00 O ATOM 0 H GLY A 35 -2.579 3.396 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.801 2.100 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.506 2.429 -2.613 1.00 0.00 H new ATOM 504 N THR A 36 -5.187 3.836 -5.375 1.00 0.00 N ATOM 505 CA THR A 36 -6.022 4.763 -6.120 1.00 0.00 C ATOM 506 C THR A 36 -7.443 4.198 -6.218 1.00 0.00 C ATOM 507 O THR A 36 -7.698 3.057 -5.835 1.00 0.00 O ATOM 508 CB THR A 36 -5.388 4.966 -7.504 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.916 3.724 -7.988 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.204 5.934 -7.417 1.00 0.00 C ATOM 0 H THR A 36 -4.844 3.062 -5.944 1.00 0.00 H new ATOM 0 HA THR A 36 -6.088 5.729 -5.620 1.00 0.00 H new ATOM 0 HB THR A 36 -6.143 5.378 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.512 3.850 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.768 6.065 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.549 6.898 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.452 5.529 -6.740 1.00 0.00 H new ATOM 518 N SER A 37 -8.379 5.014 -6.708 1.00 0.00 N ATOM 519 CA SER A 37 -9.790 4.706 -6.841 1.00 0.00 C ATOM 520 C SER A 37 -10.062 3.307 -7.408 1.00 0.00 C ATOM 521 O SER A 37 -9.882 3.084 -8.603 1.00 0.00 O ATOM 522 CB SER A 37 -10.403 5.795 -7.727 1.00 0.00 C ATOM 523 OG SER A 37 -9.861 7.050 -7.343 1.00 0.00 O ATOM 0 H SER A 37 -8.154 5.953 -7.037 1.00 0.00 H new ATOM 0 HA SER A 37 -10.247 4.693 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.187 5.595 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.488 5.803 -7.621 1.00 0.00 H new ATOM 0 HG SER A 37 -10.244 7.757 -7.904 1.00 0.00 H new ATOM 529 N GLY A 38 -10.509 2.378 -6.559 1.00 0.00 N ATOM 530 CA GLY A 38 -10.867 1.019 -6.942 1.00 0.00 C ATOM 531 C GLY A 38 -9.784 -0.013 -6.628 1.00 0.00 C ATOM 532 O GLY A 38 -10.071 -1.209 -6.632 1.00 0.00 O ATOM 0 H GLY A 38 -10.633 2.559 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.786 0.736 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.079 0.996 -8.011 1.00 0.00 H new ATOM 536 N GLU A 39 -8.546 0.412 -6.358 1.00 0.00 N ATOM 537 CA GLU A 39 -7.484 -0.523 -6.023 1.00 0.00 C ATOM 538 C GLU A 39 -7.781 -1.173 -4.673 1.00 0.00 C ATOM 539 O GLU A 39 -8.328 -0.531 -3.775 1.00 0.00 O ATOM 540 CB GLU A 39 -6.125 0.186 -5.985 1.00 0.00 C ATOM 541 CG GLU A 39 -5.725 0.763 -7.351 1.00 0.00 C ATOM 542 CD GLU A 39 -5.631 -0.301 -8.440 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.987 -1.338 -8.167 1.00 0.00 O ATOM 544 OE2 GLU A 39 -6.207 -0.063 -9.523 1.00 0.00 O ATOM 0 H GLU A 39 -8.262 1.392 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.440 -1.294 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.159 0.990 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.361 -0.517 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.454 1.517 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.763 1.268 -7.259 1.00 0.00 H new ATOM 551 N ASP A 40 -7.429 -2.453 -4.539 1.00 0.00 N ATOM 552 CA ASP A 40 -7.612 -3.189 -3.300 1.00 0.00 C ATOM 553 C ASP A 40 -6.636 -2.667 -2.247 1.00 0.00 C ATOM 554 O ASP A 40 -5.545 -2.207 -2.584 1.00 0.00 O ATOM 555 CB ASP A 40 -7.408 -4.689 -3.536 1.00 0.00 C ATOM 556 CG ASP A 40 -8.486 -5.263 -4.447 1.00 0.00 C ATOM 557 OD1 ASP A 40 -9.630 -5.401 -3.963 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.156 -5.531 -5.622 1.00 0.00 O ATOM 0 H ASP A 40 -7.010 -3.003 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.630 -3.041 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.427 -4.858 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.420 -5.214 -2.581 1.00 0.00 H new ATOM 563 N CYS A 41 -7.022 -2.746 -0.974 1.00 0.00 N ATOM 564 CA CYS A 41 -6.196 -2.324 0.146 1.00 0.00 C ATOM 565 C CYS A 41 -6.390 -3.260 1.326 1.00 0.00 C ATOM 566 O CYS A 41 -7.411 -3.938 1.437 1.00 0.00 O ATOM 567 CB CYS A 41 -6.458 -0.855 0.516 1.00 0.00 C ATOM 568 SG CYS A 41 -6.447 -0.423 2.273 1.00 0.00 S ATOM 0 H CYS A 41 -7.932 -3.111 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.150 -2.383 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.709 -0.243 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.428 -0.572 0.106 1.00 0.00 H new ATOM 573 N HIS A 42 -5.381 -3.286 2.192 1.00 0.00 N ATOM 574 CA HIS A 42 -5.392 -4.033 3.438 1.00 0.00 C ATOM 575 C HIS A 42 -5.740 -3.002 4.514 1.00 0.00 C ATOM 576 O HIS A 42 -5.087 -1.960 4.563 1.00 0.00 O ATOM 577 CB HIS A 42 -4.015 -4.670 3.669 1.00 0.00 C ATOM 578 CG HIS A 42 -3.961 -5.595 4.854 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.309 -5.176 6.137 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.604 -6.915 4.903 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.171 -6.267 6.896 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.754 -7.337 6.205 1.00 0.00 N ATOM 0 H HIS A 42 -4.512 -2.774 2.039 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.110 -4.853 3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.727 -5.224 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.278 -3.879 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.266 -7.516 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.374 -6.285 7.957 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.583 -8.274 6.570 1.00 0.00 H new ATOM 590 N PRO A 43 -6.742 -3.234 5.374 1.00 0.00 N ATOM 591 CA PRO A 43 -7.167 -2.254 6.367 1.00 0.00 C ATOM 592 C PRO A 43 -6.013 -1.834 7.274 1.00 0.00 C ATOM 593 O PRO A 43 -6.021 -0.728 7.808 1.00 0.00 O ATOM 594 CB PRO A 43 -8.283 -2.928 7.168 1.00 0.00 C ATOM 595 CG PRO A 43 -7.975 -4.415 7.007 1.00 0.00 C ATOM 596 CD PRO A 43 -7.406 -4.504 5.593 1.00 0.00 C ATOM 0 HA PRO A 43 -7.515 -1.338 5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.268 -2.624 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.269 -2.676 6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.258 -4.760 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.871 -5.026 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.707 -5.336 5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.196 -4.668 4.860 1.00 0.00 H new ATOM 604 N ALA A 44 -5.010 -2.703 7.412 1.00 0.00 N ATOM 605 CA ALA A 44 -3.834 -2.430 8.232 1.00 0.00 C ATOM 606 C ALA A 44 -2.637 -1.941 7.403 1.00 0.00 C ATOM 607 O ALA A 44 -1.509 -2.013 7.886 1.00 0.00 O ATOM 608 CB ALA A 44 -3.466 -3.675 9.044 1.00 0.00 C ATOM 0 H ALA A 44 -4.993 -3.616 6.957 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.089 -1.618 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.587 -3.465 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.300 -3.947 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.248 -4.500 8.366 1.00 0.00 H new ATOM 614 N SER A 45 -2.853 -1.436 6.179 1.00 0.00 N ATOM 615 CA SER A 45 -1.794 -0.844 5.378 1.00 0.00 C ATOM 616 C SER A 45 -1.226 0.340 6.163 1.00 0.00 C ATOM 617 O SER A 45 -1.890 1.369 6.273 1.00 0.00 O ATOM 618 CB SER A 45 -2.364 -0.344 4.045 1.00 0.00 C ATOM 619 OG SER A 45 -2.795 -1.411 3.225 1.00 0.00 O ATOM 0 H SER A 45 -3.767 -1.431 5.726 1.00 0.00 H new ATOM 0 HA SER A 45 -1.018 -1.581 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.201 0.328 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.605 0.235 3.519 1.00 0.00 H new ATOM 0 HG SER A 45 -3.714 -1.655 3.462 1.00 0.00 H new ATOM 625 N HIS A 46 -0.013 0.203 6.704 1.00 0.00 N ATOM 626 CA HIS A 46 0.612 1.223 7.538 1.00 0.00 C ATOM 627 C HIS A 46 0.600 2.587 6.856 1.00 0.00 C ATOM 628 O HIS A 46 0.765 2.653 5.635 1.00 0.00 O ATOM 629 CB HIS A 46 2.052 0.825 7.880 1.00 0.00 C ATOM 630 CG HIS A 46 2.184 -0.623 8.252 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.247 -1.612 7.269 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.091 -1.210 9.483 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.193 -2.760 7.951 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.109 -2.575 9.279 1.00 0.00 N ATOM 0 H HIS A 46 0.565 -0.627 6.572 1.00 0.00 H new ATOM 0 HA HIS A 46 0.031 1.298 8.457 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.695 1.036 7.025 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.408 1.441 8.706 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.017 -0.703 10.434 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.215 -3.734 7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.067 -3.300 9.995 1.00 0.00 H new ATOM 642 N LYS A 47 0.448 3.664 7.634 1.00 0.00 N ATOM 643 CA LYS A 47 0.402 5.017 7.101 1.00 0.00 C ATOM 644 C LYS A 47 1.694 5.388 6.361 1.00 0.00 C ATOM 645 O LYS A 47 2.607 4.576 6.235 1.00 0.00 O ATOM 646 CB LYS A 47 0.122 5.993 8.244 1.00 0.00 C ATOM 647 CG LYS A 47 1.319 6.113 9.198 1.00 0.00 C ATOM 648 CD LYS A 47 0.989 7.221 10.188 1.00 0.00 C ATOM 649 CE LYS A 47 2.136 7.490 11.171 1.00 0.00 C ATOM 650 NZ LYS A 47 3.338 8.007 10.491 1.00 0.00 N ATOM 0 H LYS A 47 0.354 3.616 8.649 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.401 5.075 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.116 6.975 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.754 5.659 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.494 5.171 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.230 6.347 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.761 8.136 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.092 6.951 10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.808 8.208 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.386 6.569 11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.039 8.302 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.746 7.261 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.079 8.823 9.900 1.00 0.00 H new ATOM 664 N ILE A 48 1.796 6.633 5.900 1.00 0.00 N ATOM 665 CA ILE A 48 2.950 7.147 5.173 1.00 0.00 C ATOM 666 C ILE A 48 3.512 8.333 5.965 1.00 0.00 C ATOM 667 O ILE A 48 2.722 9.083 6.538 1.00 0.00 O ATOM 668 CB ILE A 48 2.491 7.536 3.751 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.337 6.244 2.928 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.433 8.512 3.030 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.725 6.467 1.545 1.00 0.00 C ATOM 0 H ILE A 48 1.060 7.327 6.026 1.00 0.00 H new ATOM 0 HA ILE A 48 3.744 6.407 5.069 1.00 0.00 H new ATOM 0 HB ILE A 48 1.545 8.068 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.316 5.779 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.714 5.542 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.038 8.733 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.510 9.435 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.421 8.061 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.647 5.513 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.732 6.904 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.359 7.144 0.972 1.00 0.00 H new ATOM 683 N PRO A 49 4.840 8.538 5.997 1.00 0.00 N ATOM 684 CA PRO A 49 5.878 7.645 5.497 1.00 0.00 C ATOM 685 C PRO A 49 6.141 6.533 6.519 1.00 0.00 C ATOM 686 O PRO A 49 6.257 6.810 7.712 1.00 0.00 O ATOM 687 CB PRO A 49 7.111 8.535 5.337 1.00 0.00 C ATOM 688 CG PRO A 49 6.948 9.571 6.451 1.00 0.00 C ATOM 689 CD PRO A 49 5.430 9.745 6.554 1.00 0.00 C ATOM 0 HA PRO A 49 5.603 7.159 4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.034 7.966 5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.143 9.004 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.377 9.222 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.444 10.509 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.124 9.884 7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.102 10.627 6.004 1.00 0.00 H new ATOM 697 N PHE A 50 6.238 5.280 6.069 1.00 0.00 N ATOM 698 CA PHE A 50 6.544 4.157 6.943 1.00 0.00 C ATOM 699 C PHE A 50 8.026 3.823 6.812 1.00 0.00 C ATOM 700 O PHE A 50 8.424 3.012 5.974 1.00 0.00 O ATOM 701 CB PHE A 50 5.666 2.948 6.613 1.00 0.00 C ATOM 702 CG PHE A 50 5.704 1.872 7.681 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.009 2.069 8.888 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.481 0.713 7.505 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.026 1.076 9.883 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.486 -0.286 8.495 1.00 0.00 C ATOM 707 CZ PHE A 50 5.750 -0.110 9.678 1.00 0.00 C ATOM 0 H PHE A 50 6.106 5.021 5.091 1.00 0.00 H new ATOM 0 HA PHE A 50 6.329 4.429 7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.637 3.281 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.990 2.520 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.461 2.985 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.073 0.590 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.483 1.225 10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.057 -1.190 8.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.741 -0.886 10.429 1.00 0.00 H new ATOM 717 N SER A 51 8.852 4.452 7.648 1.00 0.00 N ATOM 718 CA SER A 51 10.290 4.248 7.681 1.00 0.00 C ATOM 719 C SER A 51 10.633 2.893 8.316 1.00 0.00 C ATOM 720 O SER A 51 11.340 2.844 9.320 1.00 0.00 O ATOM 721 CB SER A 51 10.909 5.408 8.468 1.00 0.00 C ATOM 722 OG SER A 51 10.359 6.630 8.007 1.00 0.00 O ATOM 0 H SER A 51 8.527 5.132 8.335 1.00 0.00 H new ATOM 0 HA SER A 51 10.695 4.231 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.713 5.286 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.992 5.412 8.342 1.00 0.00 H new ATOM 0 HG SER A 51 10.751 7.375 8.509 1.00 0.00 H new ATOM 728 N GLY A 52 10.139 1.794 7.743 1.00 0.00 N ATOM 729 CA GLY A 52 10.355 0.455 8.255 1.00 0.00 C ATOM 730 C GLY A 52 9.895 -0.579 7.233 1.00 0.00 C ATOM 731 O GLY A 52 9.468 -0.231 6.133 1.00 0.00 O ATOM 0 H GLY A 52 9.570 1.818 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.412 0.310 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.809 0.322 9.189 1.00 0.00 H new ATOM 735 N GLN A 53 9.986 -1.858 7.600 1.00 0.00 N ATOM 736 CA GLN A 53 9.614 -2.966 6.735 1.00 0.00 C ATOM 737 C GLN A 53 8.097 -3.153 6.736 1.00 0.00 C ATOM 738 O GLN A 53 7.544 -3.715 7.680 1.00 0.00 O ATOM 739 CB GLN A 53 10.329 -4.247 7.203 1.00 0.00 C ATOM 740 CG GLN A 53 11.865 -4.175 7.154 1.00 0.00 C ATOM 741 CD GLN A 53 12.381 -3.738 5.787 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.643 -4.559 4.912 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.498 -2.430 5.590 1.00 0.00 N ATOM 0 H GLN A 53 10.324 -2.151 8.517 1.00 0.00 H new ATOM 0 HA GLN A 53 9.923 -2.748 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.021 -4.467 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.997 -5.080 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.218 -3.477 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.280 -5.152 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.271 -1.779 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.815 -2.077 4.687 1.00 0.00 H new ATOM 752 N ARG A 54 7.412 -2.645 5.707 1.00 0.00 N ATOM 753 CA ARG A 54 5.979 -2.870 5.549 1.00 0.00 C ATOM 754 C ARG A 54 5.723 -4.376 5.472 1.00 0.00 C ATOM 755 O ARG A 54 6.582 -5.117 5.002 1.00 0.00 O ATOM 756 CB ARG A 54 5.468 -2.196 4.272 1.00 0.00 C ATOM 757 CG ARG A 54 5.464 -0.674 4.420 1.00 0.00 C ATOM 758 CD ARG A 54 4.921 -0.026 3.144 1.00 0.00 C ATOM 759 NE ARG A 54 4.663 1.403 3.338 1.00 0.00 N ATOM 760 CZ ARG A 54 3.567 1.903 3.923 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.604 1.083 4.349 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.444 3.214 4.089 1.00 0.00 N ATOM 0 H ARG A 54 7.831 -2.075 4.972 1.00 0.00 H new ATOM 0 HA ARG A 54 5.451 -2.441 6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.097 -2.481 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.460 -2.546 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.851 -0.385 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.475 -0.317 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.636 -0.161 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.000 -0.526 2.844 1.00 0.00 H new ATOM 0 HE ARG A 54 5.366 2.062 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.703 0.075 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.769 1.464 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.184 3.840 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.610 3.596 4.534 1.00 0.00 H new ATOM 776 N MET A 55 4.541 -4.827 5.902 1.00 0.00 N ATOM 777 CA MET A 55 4.191 -6.245 5.936 1.00 0.00 C ATOM 778 C MET A 55 3.023 -6.581 5.002 1.00 0.00 C ATOM 779 O MET A 55 2.406 -7.632 5.159 1.00 0.00 O ATOM 780 CB MET A 55 3.915 -6.659 7.390 1.00 0.00 C ATOM 781 CG MET A 55 5.155 -6.489 8.281 1.00 0.00 C ATOM 782 SD MET A 55 6.594 -7.487 7.807 1.00 0.00 S ATOM 783 CE MET A 55 7.767 -6.970 9.079 1.00 0.00 C ATOM 0 H MET A 55 3.798 -4.214 6.237 1.00 0.00 H new ATOM 0 HA MET A 55 5.034 -6.824 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.097 -6.059 7.789 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.590 -7.699 7.416 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.445 -5.438 8.275 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.882 -6.739 9.306 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.713 -7.492 8.935 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.931 -5.895 9.007 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.366 -7.211 10.063 1.00 0.00 H new ATOM 793 N HIS A 56 2.731 -5.724 4.015 1.00 0.00 N ATOM 794 CA HIS A 56 1.661 -5.944 3.048 1.00 0.00 C ATOM 795 C HIS A 56 2.128 -5.525 1.653 1.00 0.00 C ATOM 796 O HIS A 56 2.986 -4.652 1.512 1.00 0.00 O ATOM 797 CB HIS A 56 0.393 -5.173 3.454 1.00 0.00 C ATOM 798 CG HIS A 56 -0.072 -5.450 4.858 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.424 -6.634 5.445 1.00 0.00 N flip ATOM 800 CD2 HIS A 56 -0.141 -4.435 5.811 1.00 0.00 C flip ATOM 801 CE1 HIS A 56 -0.692 -6.369 6.771 1.00 0.00 C flip ATOM 802 NE2 HIS A 56 -0.529 -5.047 6.932 1.00 0.00 N flip ATOM 0 H HIS A 56 3.239 -4.852 3.869 1.00 0.00 H new ATOM 0 HA HIS A 56 1.415 -7.006 3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.581 -4.105 3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.410 -5.424 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.072 -3.385 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.977 -7.083 7.529 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.685 -4.562 7.816 1.00 0.00 H new ATOM 810 N HIS A 57 1.577 -6.171 0.621 1.00 0.00 N ATOM 811 CA HIS A 57 1.843 -5.865 -0.784 1.00 0.00 C ATOM 812 C HIS A 57 1.019 -4.668 -1.248 1.00 0.00 C ATOM 813 O HIS A 57 1.277 -4.100 -2.306 1.00 0.00 O ATOM 814 CB HIS A 57 1.447 -7.059 -1.648 1.00 0.00 C ATOM 815 CG HIS A 57 2.212 -8.286 -1.275 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.644 -9.283 -0.496 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.519 -8.592 -1.511 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.629 -10.167 -0.342 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.777 -9.809 -0.935 1.00 0.00 N ATOM 0 H HIS A 57 0.918 -6.940 0.745 1.00 0.00 H new ATOM 0 HA HIS A 57 2.905 -5.641 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.379 -7.249 -1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.624 -6.824 -2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.226 -7.984 -2.055 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.513 -11.088 0.210 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.654 -10.330 -0.954 1.00 0.00 H new ATOM 827 N THR A 58 0.002 -4.311 -0.470 1.00 0.00 N ATOM 828 CA THR A 58 -0.946 -3.278 -0.796 1.00 0.00 C ATOM 829 C THR A 58 -0.553 -2.002 -0.061 1.00 0.00 C ATOM 830 O THR A 58 -0.167 -2.066 1.106 1.00 0.00 O ATOM 831 CB THR A 58 -2.318 -3.785 -0.345 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.337 -3.947 1.063 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.620 -5.164 -0.959 1.00 0.00 C ATOM 0 H THR A 58 -0.181 -4.753 0.431 1.00 0.00 H new ATOM 0 HA THR A 58 -0.967 -3.053 -1.862 1.00 0.00 H new ATOM 0 HB THR A 58 -3.058 -3.053 -0.668 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.482 -3.077 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.600 -5.504 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.614 -5.087 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.860 -5.878 -0.641 1.00 0.00 H new ATOM 841 N CYS A 59 -0.693 -0.854 -0.718 1.00 0.00 N ATOM 842 CA CYS A 59 -0.344 0.436 -0.142 1.00 0.00 C ATOM 843 C CYS A 59 -1.606 1.116 0.367 1.00 0.00 C ATOM 844 O CYS A 59 -2.702 0.783 -0.087 1.00 0.00 O ATOM 845 CB CYS A 59 0.338 1.308 -1.199 1.00 0.00 C ATOM 846 SG CYS A 59 2.046 0.862 -1.558 1.00 0.00 S ATOM 0 H CYS A 59 -1.054 -0.795 -1.670 1.00 0.00 H new ATOM 0 HA CYS A 59 0.346 0.292 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.239 1.253 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.310 2.346 -0.867 1.00 0.00 H new ATOM 851 N PRO A 60 -1.480 2.057 1.316 1.00 0.00 N ATOM 852 CA PRO A 60 -2.635 2.745 1.843 1.00 0.00 C ATOM 853 C PRO A 60 -3.244 3.627 0.753 1.00 0.00 C ATOM 854 O PRO A 60 -2.596 3.975 -0.237 1.00 0.00 O ATOM 855 CB PRO A 60 -2.146 3.533 3.059 1.00 0.00 C ATOM 856 CG PRO A 60 -0.668 3.770 2.761 1.00 0.00 C ATOM 857 CD PRO A 60 -0.253 2.563 1.917 1.00 0.00 C ATOM 0 HA PRO A 60 -3.429 2.067 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.688 4.472 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.284 2.971 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.516 4.704 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.083 3.834 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.468 2.851 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.224 1.801 2.533 1.00 0.00 H new ATOM 865 N CYS A 61 -4.517 3.953 0.943 1.00 0.00 N ATOM 866 CA CYS A 61 -5.310 4.745 0.022 1.00 0.00 C ATOM 867 C CYS A 61 -4.756 6.161 -0.088 1.00 0.00 C ATOM 868 O CYS A 61 -4.344 6.751 0.910 1.00 0.00 O ATOM 869 CB CYS A 61 -6.763 4.715 0.491 1.00 0.00 C ATOM 870 SG CYS A 61 -7.467 3.059 0.620 1.00 0.00 S ATOM 0 H CYS A 61 -5.039 3.662 1.770 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.262 4.325 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.829 5.202 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.368 5.302 -0.200 1.00 0.00 H new ATOM 875 N ALA A 62 -4.720 6.694 -1.314 1.00 0.00 N ATOM 876 CA ALA A 62 -4.233 8.035 -1.590 1.00 0.00 C ATOM 877 C ALA A 62 -4.940 9.040 -0.677 1.00 0.00 C ATOM 878 O ALA A 62 -6.163 8.957 -0.574 1.00 0.00 O ATOM 879 CB ALA A 62 -4.529 8.393 -3.045 1.00 0.00 C ATOM 0 H ALA A 62 -5.033 6.195 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.159 8.070 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.164 9.399 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.030 7.682 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.605 8.354 -3.218 1.00 0.00 H new ATOM 885 N PRO A 63 -4.223 9.976 -0.031 1.00 0.00 N ATOM 886 CA PRO A 63 -4.791 10.993 0.847 1.00 0.00 C ATOM 887 C PRO A 63 -6.004 11.724 0.263 1.00 0.00 C ATOM 888 O PRO A 63 -5.867 12.749 -0.397 1.00 0.00 O ATOM 889 CB PRO A 63 -3.635 11.938 1.178 1.00 0.00 C ATOM 890 CG PRO A 63 -2.472 10.956 1.216 1.00 0.00 C ATOM 891 CD PRO A 63 -2.771 10.036 0.034 1.00 0.00 C ATOM 0 HA PRO A 63 -5.204 10.528 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.501 12.710 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.777 12.448 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.512 11.460 1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.436 10.407 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.349 10.430 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.340 9.046 0.184 1.00 0.00 H new ATOM 899 N ASN A 64 -7.176 11.151 0.539 1.00 0.00 N ATOM 900 CA ASN A 64 -8.553 11.519 0.181 1.00 0.00 C ATOM 901 C ASN A 64 -9.414 10.258 0.205 1.00 0.00 C ATOM 902 O ASN A 64 -10.514 10.247 0.752 1.00 0.00 O ATOM 903 CB ASN A 64 -8.696 12.198 -1.195 1.00 0.00 C ATOM 904 CG ASN A 64 -8.833 13.710 -1.144 1.00 0.00 C ATOM 905 OD1 ASN A 64 -9.924 14.242 -0.968 1.00 0.00 O ATOM 906 ND2 ASN A 64 -7.733 14.413 -1.352 1.00 0.00 N ATOM 0 H ASN A 64 -7.185 10.298 1.098 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.878 12.256 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.827 11.946 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.569 11.784 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.775 15.432 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.843 13.936 -1.495 1.00 0.00 H new ATOM 913 N LEU A 65 -8.910 9.199 -0.424 1.00 0.00 N ATOM 914 CA LEU A 65 -9.573 7.913 -0.514 1.00 0.00 C ATOM 915 C LEU A 65 -9.491 7.185 0.830 1.00 0.00 C ATOM 916 O LEU A 65 -8.546 7.390 1.591 1.00 0.00 O ATOM 917 CB LEU A 65 -8.892 7.096 -1.618 1.00 0.00 C ATOM 918 CG LEU A 65 -8.823 7.792 -2.983 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.208 6.825 -3.993 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.202 8.223 -3.471 1.00 0.00 C ATOM 0 H LEU A 65 -8.006 9.218 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.627 8.047 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.879 6.853 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.425 6.152 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.213 8.690 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.152 7.306 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.205 6.548 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.827 5.931 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.108 8.712 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.844 7.347 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.640 8.918 -2.755 1.00 0.00 H new ATOM 932 N ALA A 66 -10.472 6.323 1.109 1.00 0.00 N ATOM 933 CA ALA A 66 -10.579 5.519 2.314 1.00 0.00 C ATOM 934 C ALA A 66 -10.647 4.042 1.924 1.00 0.00 C ATOM 935 O ALA A 66 -11.185 3.692 0.873 1.00 0.00 O ATOM 936 CB ALA A 66 -11.828 5.937 3.094 1.00 0.00 C ATOM 0 H ALA A 66 -11.247 6.164 0.465 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.708 5.673 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.910 5.335 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.752 6.990 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.712 5.784 2.475 1.00 0.00 H new ATOM 942 N CYS A 67 -10.067 3.182 2.768 1.00 0.00 N ATOM 943 CA CYS A 67 -10.025 1.739 2.570 1.00 0.00 C ATOM 944 C CYS A 67 -11.328 1.145 3.096 1.00 0.00 C ATOM 945 O CYS A 67 -11.402 0.780 4.268 1.00 0.00 O ATOM 946 CB CYS A 67 -8.814 1.161 3.315 1.00 0.00 C ATOM 947 SG CYS A 67 -8.424 -0.556 2.913 1.00 0.00 S ATOM 0 H CYS A 67 -9.605 3.482 3.626 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.922 1.494 1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.942 1.778 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.995 1.236 4.387 1.00 0.00 H new ATOM 952 N VAL A 68 -12.359 1.053 2.254 1.00 0.00 N ATOM 953 CA VAL A 68 -13.673 0.572 2.670 1.00 0.00 C ATOM 954 C VAL A 68 -13.847 -0.890 2.288 1.00 0.00 C ATOM 955 O VAL A 68 -13.279 -1.362 1.307 1.00 0.00 O ATOM 956 CB VAL A 68 -14.790 1.468 2.118 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.737 1.625 0.594 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.186 0.994 2.537 1.00 0.00 C ATOM 0 H VAL A 68 -12.305 1.309 1.268 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.743 0.630 3.756 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.607 2.445 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.553 2.270 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.785 2.071 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.836 0.647 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.938 1.663 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.354 -0.017 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.260 0.998 3.624 1.00 0.00 H new ATOM 968 N GLN A 69 -14.609 -1.617 3.104 1.00 0.00 N ATOM 969 CA GLN A 69 -14.840 -3.040 2.896 1.00 0.00 C ATOM 970 C GLN A 69 -15.618 -3.295 1.599 1.00 0.00 C ATOM 971 O GLN A 69 -16.424 -2.470 1.174 1.00 0.00 O ATOM 972 CB GLN A 69 -15.417 -3.716 4.159 1.00 0.00 C ATOM 973 CG GLN A 69 -16.532 -2.953 4.891 1.00 0.00 C ATOM 974 CD GLN A 69 -17.630 -2.552 3.927 1.00 0.00 C ATOM 975 OE1 GLN A 69 -18.129 -3.525 3.174 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.952 -1.377 3.795 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.081 -1.235 3.924 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.881 -3.535 2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.802 -4.696 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.600 -3.884 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.947 -3.577 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.118 -2.065 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.541 -0.665 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.631 -1.111 3.082 1.00 0.00 H new ATOM 985 N THR A 70 -15.347 -4.433 0.955 1.00 0.00 N ATOM 986 CA THR A 70 -16.014 -4.845 -0.276 1.00 0.00 C ATOM 987 C THR A 70 -16.406 -6.323 -0.235 1.00 0.00 C ATOM 988 O THR A 70 -17.462 -6.691 -0.749 1.00 0.00 O ATOM 989 CB THR A 70 -15.157 -4.498 -1.503 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.860 -5.053 -1.416 1.00 0.00 O ATOM 991 CG2 THR A 70 -15.033 -2.982 -1.665 1.00 0.00 C ATOM 0 H THR A 70 -14.648 -5.101 1.281 1.00 0.00 H new ATOM 0 HA THR A 70 -16.944 -4.283 -0.364 1.00 0.00 H new ATOM 0 HB THR A 70 -15.663 -4.926 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.739 -5.464 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.422 -2.758 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.024 -2.548 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.564 -2.558 -0.777 1.00 0.00 H new ATOM 999 N SER A 71 -15.579 -7.192 0.352 1.00 0.00 N ATOM 1000 CA SER A 71 -15.880 -8.615 0.496 1.00 0.00 C ATOM 1001 C SER A 71 -15.079 -9.140 1.696 1.00 0.00 C ATOM 1002 O SER A 71 -14.300 -8.370 2.263 1.00 0.00 O ATOM 1003 CB SER A 71 -15.580 -9.373 -0.813 1.00 0.00 C ATOM 1004 OG SER A 71 -15.902 -8.603 -1.956 1.00 0.00 O ATOM 0 H SER A 71 -14.676 -6.924 0.743 1.00 0.00 H new ATOM 0 HA SER A 71 -16.941 -8.776 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.524 -9.642 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.147 -10.304 -0.831 1.00 0.00 H new ATOM 0 HG SER A 71 -15.697 -9.117 -2.765 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.259 -10.404 2.122 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.517 -10.973 3.238 1.00 0.00 C ATOM 1012 C PRO A 72 -13.018 -10.708 3.086 1.00 0.00 C ATOM 1013 O PRO A 72 -12.423 -11.101 2.085 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.857 -12.466 3.240 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.277 -12.475 2.674 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.209 -11.379 1.611 1.00 0.00 C ATOM 0 HA PRO A 72 -14.791 -10.520 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.168 -13.041 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.816 -12.892 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.538 -13.442 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.021 -12.254 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.882 -11.781 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.188 -10.927 1.450 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.434 -10.008 4.066 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.042 -9.570 4.100 1.00 0.00 C ATOM 1026 C LYS A 73 -10.579 -8.919 2.785 1.00 0.00 C ATOM 1027 O LYS A 73 -9.404 -9.002 2.434 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.112 -10.689 4.609 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.061 -11.941 3.723 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.965 -12.895 4.211 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.925 -14.148 3.330 1.00 0.00 C ATOM 1032 NZ LYS A 73 -7.877 -15.083 3.775 1.00 0.00 N ATOM 0 H LYS A 73 -12.950 -9.719 4.897 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.976 -8.765 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.103 -10.288 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.434 -10.982 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.027 -12.446 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.869 -11.655 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.998 -12.393 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.152 -13.176 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.894 -14.645 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.743 -13.861 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.875 -15.921 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.950 -14.614 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.065 -15.375 4.755 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.487 -8.229 2.084 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.216 -7.535 0.836 1.00 0.00 C ATOM 1048 C LYS A 74 -11.802 -6.132 0.950 1.00 0.00 C ATOM 1049 O LYS A 74 -13.023 -5.964 1.039 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.841 -8.307 -0.331 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.439 -7.717 -1.690 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.197 -8.430 -2.814 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.788 -7.855 -4.174 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.540 -8.488 -5.271 1.00 0.00 N ATOM 0 H LYS A 74 -12.457 -8.140 2.386 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.144 -7.468 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.531 -9.351 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.927 -8.292 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.659 -6.650 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.365 -7.824 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.986 -9.499 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.271 -8.313 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.963 -6.779 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.720 -8.006 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.241 -8.078 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.353 -9.511 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.558 -8.323 -5.135 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.931 -5.124 0.945 1.00 0.00 N ATOM 1069 CA PHE A 75 -11.294 -3.722 1.036 1.00 0.00 C ATOM 1070 C PHE A 75 -10.747 -3.022 -0.203 1.00 0.00 C ATOM 1071 O PHE A 75 -9.723 -3.451 -0.734 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.681 -3.093 2.298 1.00 0.00 C ATOM 1073 CG PHE A 75 -11.162 -3.617 3.643 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.870 -4.935 4.047 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.744 -2.729 4.569 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.253 -5.388 5.321 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -12.103 -3.173 5.852 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.875 -4.509 6.223 1.00 0.00 C ATOM 0 H PHE A 75 -9.924 -5.271 0.875 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.377 -3.617 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.600 -3.227 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.871 -2.020 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.349 -5.600 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.915 -1.700 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.069 -6.413 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.554 -2.487 6.554 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.177 -4.859 7.199 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.415 -1.961 -0.659 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.983 -1.146 -1.785 1.00 0.00 C ATOM 1090 C LYS A 76 -10.854 0.314 -1.366 1.00 0.00 C ATOM 1091 O LYS A 76 -11.538 0.784 -0.455 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.945 -1.256 -2.974 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.844 -2.615 -3.673 1.00 0.00 C ATOM 1094 CD LYS A 76 -12.660 -2.576 -4.973 1.00 0.00 C ATOM 1095 CE LYS A 76 -12.453 -3.830 -5.828 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.047 -3.973 -6.246 1.00 0.00 N ATOM 0 H LYS A 76 -12.290 -1.641 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.011 -1.524 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.967 -1.102 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.728 -0.463 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.802 -2.849 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.218 -3.403 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.718 -2.474 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.378 -1.695 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.757 -4.711 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.092 -3.780 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.003 -4.505 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.628 -3.031 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.517 -4.484 -5.511 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.966 1.024 -2.060 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.721 2.439 -1.858 1.00 0.00 C ATOM 1112 C CYS A 77 -10.752 3.216 -2.660 1.00 0.00 C ATOM 1113 O CYS A 77 -10.658 3.253 -3.885 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.299 2.788 -2.305 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.016 2.161 -1.203 1.00 0.00 S ATOM 0 H CYS A 77 -9.387 0.616 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.811 2.699 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.134 2.387 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.206 3.872 -2.376 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.743 3.812 -1.994 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.801 4.575 -2.648 1.00 0.00 C ATOM 1122 C LEU A 78 -12.993 5.903 -1.924 1.00 0.00 C ATOM 1123 O LEU A 78 -12.462 6.109 -0.838 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.113 3.772 -2.635 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.055 2.448 -3.416 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.351 1.664 -3.184 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.895 2.684 -4.923 1.00 0.00 C ATOM 0 H LEU A 78 -11.832 3.777 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.519 4.768 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.384 3.558 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.908 4.391 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.190 1.890 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.312 0.725 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.464 1.455 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.200 2.254 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.858 1.725 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.741 3.263 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.972 3.232 -5.109 1.00 0.00 H new ATOM 1139 N SER A 79 -13.754 6.824 -2.516 1.00 0.00 N ATOM 1140 CA SER A 79 -14.065 8.110 -1.903 1.00 0.00 C ATOM 1141 C SER A 79 -15.232 7.955 -0.918 1.00 0.00 C ATOM 1142 O SER A 79 -16.131 8.794 -0.900 1.00 0.00 O ATOM 1143 CB SER A 79 -14.413 9.104 -3.017 1.00 0.00 C ATOM 1144 OG SER A 79 -13.478 8.992 -4.075 1.00 0.00 O ATOM 0 H SER A 79 -14.172 6.696 -3.437 1.00 0.00 H new ATOM 0 HA SER A 79 -13.207 8.481 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.419 8.910 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.409 10.120 -2.623 1.00 0.00 H new ATOM 0 HG SER A 79 -13.708 9.629 -4.784 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.228 6.876 -0.133 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.235 6.465 0.825 1.00 0.00 C ATOM 1152 C LYS A 80 -15.722 5.146 1.409 1.00 0.00 C ATOM 1153 O LYS A 80 -14.603 4.760 0.997 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.602 6.267 0.146 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.509 5.341 -1.080 1.00 0.00 C ATOM 1156 CD LYS A 80 -18.805 4.553 -1.319 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.810 3.202 -0.585 1.00 0.00 C ATOM 1158 NZ LYS A 80 -18.714 3.341 0.880 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.468 4.523 2.194 1.00 0.00 O ATOM 0 H LYS A 80 -14.450 6.217 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.387 7.221 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.306 5.847 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.998 7.235 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.280 5.936 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.683 4.643 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.656 5.148 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.933 4.384 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.724 2.663 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.976 2.598 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.807 2.405 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.792 3.753 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.475 3.963 1.220 1.00 0.00 H new