USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 83 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.362) USER MOD Set 2.1: A 68 TYR OH : rot 180:sc= 0.0666 USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0414 X(o=0.11,f=0.43) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.538 K(o=-3,f=-4) USER MOD Set 3.2: A 36 ASN : amide:sc= -2.51 K(o=-3,f=-4!) USER MOD Set 4.1: A 12 TYR OH : rot 30:sc= 0.0958 USER MOD Set 4.2: A 102 LYS NZ :NH3+ 156:sc= -0.0811 (180deg=-0.466) USER MOD Single : A 9 SER OG : rot -23:sc= -0.208 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00501 USER MOD Single : A 18 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.031) USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= 0.0261 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.1!) USER MOD Single : A 32 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.33) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -137:sc= 1.24 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 168:sc= -0.052 (180deg=-0.283) USER MOD Single : A 67 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.03) USER MOD Single : A 69 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.2) USER MOD Single : A 73 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.2!) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -174:sc= -1.1 (180deg=-1.26) USER MOD Single : A 91 ASN : amide:sc= 0.499 K(o=0.5,f=-11!) USER MOD Single : A 93 ASN : amide:sc= -0.0504 K(o=-0.05,f=-0.85) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 93:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.157 7.644 3.464 1.00 0.00 N ATOM 88 CA SER A 9 6.679 6.314 3.107 1.00 0.00 C ATOM 89 C SER A 9 7.284 5.254 4.022 1.00 0.00 C ATOM 90 O SER A 9 8.490 5.244 4.264 1.00 0.00 O ATOM 91 CB SER A 9 7.023 6.001 1.649 1.00 0.00 C ATOM 92 OG SER A 9 8.420 5.830 1.478 1.00 0.00 O ATOM 0 HA SER A 9 5.596 6.299 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.502 5.096 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.672 6.809 1.008 1.00 0.00 H new ATOM 0 HG SER A 9 8.897 6.287 2.202 1.00 0.00 H new ATOM 98 N LEU A 10 6.436 4.365 4.530 1.00 0.00 N ATOM 99 CA LEU A 10 6.887 3.301 5.419 1.00 0.00 C ATOM 100 C LEU A 10 7.829 2.347 4.693 1.00 0.00 C ATOM 101 O LEU A 10 7.585 1.970 3.546 1.00 0.00 O ATOM 102 CB LEU A 10 5.687 2.531 5.976 1.00 0.00 C ATOM 103 CG LEU A 10 5.177 3.021 7.332 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.668 2.854 7.427 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.870 2.274 8.462 1.00 0.00 C ATOM 0 H LEU A 10 5.434 4.361 4.341 1.00 0.00 H new ATOM 0 HA LEU A 10 7.431 3.758 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.871 2.589 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.959 1.479 6.066 1.00 0.00 H new ATOM 0 HG LEU A 10 5.411 4.081 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.323 3.208 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.187 3.433 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.411 1.801 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.496 2.635 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.666 1.207 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.945 2.444 8.405 1.00 0.00 H new ATOM 117 N LYS A 11 8.906 1.960 5.368 1.00 0.00 N ATOM 118 CA LYS A 11 9.887 1.049 4.787 1.00 0.00 C ATOM 119 C LYS A 11 10.011 -0.222 5.622 1.00 0.00 C ATOM 120 O LYS A 11 10.486 -0.186 6.757 1.00 0.00 O ATOM 121 CB LYS A 11 11.250 1.736 4.678 1.00 0.00 C ATOM 122 CG LYS A 11 11.326 2.760 3.556 1.00 0.00 C ATOM 123 CD LYS A 11 12.074 2.214 2.349 1.00 0.00 C ATOM 124 CE LYS A 11 13.412 2.912 2.156 1.00 0.00 C ATOM 125 NZ LYS A 11 14.499 2.252 2.929 1.00 0.00 N ATOM 0 H LYS A 11 9.122 2.263 6.318 1.00 0.00 H new ATOM 0 HA LYS A 11 9.545 0.775 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.477 2.228 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.018 0.979 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.318 3.051 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.824 3.660 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.236 1.143 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.464 2.341 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.670 2.915 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.326 3.953 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.394 2.758 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.265 2.271 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.598 1.265 2.615 1.00 0.00 H new ATOM 139 N TYR A 12 9.581 -1.343 5.052 1.00 0.00 N ATOM 140 CA TYR A 12 9.644 -2.625 5.744 1.00 0.00 C ATOM 141 C TYR A 12 10.265 -3.695 4.850 1.00 0.00 C ATOM 142 O TYR A 12 10.044 -3.711 3.640 1.00 0.00 O ATOM 143 CB TYR A 12 8.245 -3.057 6.188 1.00 0.00 C ATOM 144 CG TYR A 12 7.974 -2.812 7.655 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.713 -3.460 8.635 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.977 -1.931 8.058 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.467 -3.239 9.978 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.726 -1.704 9.398 1.00 0.00 C ATOM 149 CZ TYR A 12 7.473 -2.360 10.354 1.00 0.00 C ATOM 150 OH TYR A 12 7.226 -2.136 11.688 1.00 0.00 O ATOM 0 H TYR A 12 9.185 -1.389 4.113 1.00 0.00 H new ATOM 0 HA TYR A 12 10.274 -2.506 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.503 -2.521 5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.117 -4.118 5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.493 -4.148 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.389 -1.416 7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.050 -3.752 10.728 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.948 -1.016 9.695 1.00 0.00 H new ATOM 0 HH TYR A 12 8.055 -2.251 12.198 1.00 0.00 H new ATOM 160 N THR A 13 11.042 -4.587 5.456 1.00 0.00 N ATOM 161 CA THR A 13 11.694 -5.661 4.715 1.00 0.00 C ATOM 162 C THR A 13 10.738 -6.828 4.488 1.00 0.00 C ATOM 163 O THR A 13 9.787 -7.021 5.246 1.00 0.00 O ATOM 164 CB THR A 13 12.938 -6.144 5.463 1.00 0.00 C ATOM 165 OG1 THR A 13 12.603 -6.569 6.772 1.00 0.00 O ATOM 166 CG2 THR A 13 14.013 -5.084 5.583 1.00 0.00 C ATOM 0 H THR A 13 11.235 -4.587 6.457 1.00 0.00 H new ATOM 0 HA THR A 13 11.992 -5.267 3.744 1.00 0.00 H new ATOM 0 HB THR A 13 13.330 -6.970 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.411 -6.876 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.867 -5.492 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.329 -4.772 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.618 -4.224 6.124 1.00 0.00 H new ATOM 174 N ALA A 14 10.998 -7.602 3.439 1.00 0.00 N ATOM 175 CA ALA A 14 10.162 -8.750 3.110 1.00 0.00 C ATOM 176 C ALA A 14 10.115 -9.746 4.263 1.00 0.00 C ATOM 177 O ALA A 14 9.064 -10.308 4.570 1.00 0.00 O ATOM 178 CB ALA A 14 10.671 -9.427 1.846 1.00 0.00 C ATOM 0 H ALA A 14 11.781 -7.455 2.802 1.00 0.00 H new ATOM 0 HA ALA A 14 9.148 -8.391 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.038 -10.283 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.645 -8.719 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.695 -9.765 2.002 1.00 0.00 H new ATOM 184 N ALA A 15 11.262 -9.960 4.900 1.00 0.00 N ATOM 185 CA ALA A 15 11.351 -10.888 6.021 1.00 0.00 C ATOM 186 C ALA A 15 10.454 -10.448 7.171 1.00 0.00 C ATOM 187 O ALA A 15 9.863 -11.277 7.863 1.00 0.00 O ATOM 188 CB ALA A 15 12.794 -11.010 6.491 1.00 0.00 C ATOM 0 H ALA A 15 12.142 -9.504 4.659 1.00 0.00 H new ATOM 0 HA ALA A 15 11.007 -11.865 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.846 -11.706 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.413 -11.379 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.157 -10.033 6.808 1.00 0.00 H new ATOM 194 N ARG A 16 10.355 -9.137 7.371 1.00 0.00 N ATOM 195 CA ARG A 16 9.528 -8.586 8.437 1.00 0.00 C ATOM 196 C ARG A 16 8.066 -8.974 8.247 1.00 0.00 C ATOM 197 O ARG A 16 7.429 -9.505 9.157 1.00 0.00 O ATOM 198 CB ARG A 16 9.664 -7.063 8.481 1.00 0.00 C ATOM 199 CG ARG A 16 10.848 -6.581 9.302 1.00 0.00 C ATOM 200 CD ARG A 16 10.489 -6.454 10.774 1.00 0.00 C ATOM 201 NE ARG A 16 11.668 -6.221 11.606 1.00 0.00 N ATOM 202 CZ ARG A 16 12.514 -7.178 11.978 1.00 0.00 C ATOM 203 NH1 ARG A 16 12.315 -8.434 11.596 1.00 0.00 N ATOM 204 NH2 ARG A 16 13.562 -6.881 12.734 1.00 0.00 N ATOM 0 H ARG A 16 10.838 -8.437 6.808 1.00 0.00 H new ATOM 0 HA ARG A 16 9.874 -9.001 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.761 -6.686 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.749 -6.637 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.679 -7.277 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.186 -5.616 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.784 -5.633 10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.986 -7.363 11.104 1.00 0.00 H new ATOM 0 HE ARG A 16 11.853 -5.268 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.511 -8.669 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.967 -9.164 11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.720 -5.918 13.031 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.210 -7.615 13.019 1.00 0.00 H new ATOM 218 N LEU A 17 7.537 -8.704 7.057 1.00 0.00 N ATOM 219 CA LEU A 17 6.150 -9.026 6.747 1.00 0.00 C ATOM 220 C LEU A 17 5.921 -10.534 6.775 1.00 0.00 C ATOM 221 O LEU A 17 4.832 -11.001 7.107 1.00 0.00 O ATOM 222 CB LEU A 17 5.769 -8.467 5.374 1.00 0.00 C ATOM 223 CG LEU A 17 6.079 -6.983 5.171 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.456 -6.710 3.723 1.00 0.00 C ATOM 225 CD2 LEU A 17 4.889 -6.130 5.583 1.00 0.00 C ATOM 0 H LEU A 17 8.049 -8.263 6.293 1.00 0.00 H new ATOM 0 HA LEU A 17 5.519 -8.567 7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.291 -9.040 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.702 -8.624 5.218 1.00 0.00 H new ATOM 0 HG LEU A 17 6.927 -6.718 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.673 -5.649 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.338 -7.295 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.628 -6.990 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.127 -5.077 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.023 -6.397 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.664 -6.304 6.635 1.00 0.00 H new ATOM 237 N HIS A 18 6.956 -11.290 6.426 1.00 0.00 N ATOM 238 CA HIS A 18 6.870 -12.746 6.411 1.00 0.00 C ATOM 239 C HIS A 18 6.835 -13.303 7.831 1.00 0.00 C ATOM 240 O HIS A 18 6.074 -14.224 8.129 1.00 0.00 O ATOM 241 CB HIS A 18 8.052 -13.341 5.646 1.00 0.00 C ATOM 242 CG HIS A 18 7.959 -14.822 5.454 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.883 -15.707 5.968 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.041 -15.576 4.802 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.540 -16.940 5.638 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.427 -16.887 4.931 1.00 0.00 N ATOM 0 H HIS A 18 7.865 -10.919 6.150 1.00 0.00 H new ATOM 0 HA HIS A 18 5.944 -13.025 5.907 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.121 -12.860 4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.973 -13.110 6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.169 -15.213 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.079 -17.838 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.933 -17.691 4.543 1.00 0.00 H new ATOM 255 N GLU A 19 7.663 -12.738 8.703 1.00 0.00 N ATOM 256 CA GLU A 19 7.727 -13.179 10.092 1.00 0.00 C ATOM 257 C GLU A 19 6.400 -12.933 10.802 1.00 0.00 C ATOM 258 O GLU A 19 5.897 -13.802 11.515 1.00 0.00 O ATOM 259 CB GLU A 19 8.856 -12.453 10.828 1.00 0.00 C ATOM 260 CG GLU A 19 10.244 -12.857 10.363 1.00 0.00 C ATOM 261 CD GLU A 19 10.778 -14.067 11.104 1.00 0.00 C ATOM 262 OE1 GLU A 19 10.778 -14.046 12.352 1.00 0.00 O ATOM 263 OE2 GLU A 19 11.195 -15.036 10.435 1.00 0.00 O ATOM 0 H GLU A 19 8.299 -11.974 8.473 1.00 0.00 H new ATOM 0 HA GLU A 19 7.929 -14.250 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.735 -11.378 10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.768 -12.651 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.217 -13.073 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.928 -12.020 10.502 1.00 0.00 H new ATOM 270 N LYS A 20 5.841 -11.744 10.604 1.00 0.00 N ATOM 271 CA LYS A 20 4.572 -11.383 11.227 1.00 0.00 C ATOM 272 C LYS A 20 3.447 -12.285 10.731 1.00 0.00 C ATOM 273 O LYS A 20 2.536 -12.629 11.485 1.00 0.00 O ATOM 274 CB LYS A 20 4.235 -9.920 10.934 1.00 0.00 C ATOM 275 CG LYS A 20 5.291 -8.942 11.420 1.00 0.00 C ATOM 276 CD LYS A 20 5.068 -7.551 10.850 1.00 0.00 C ATOM 277 CE LYS A 20 5.520 -6.472 11.820 1.00 0.00 C ATOM 278 NZ LYS A 20 6.889 -5.980 11.507 1.00 0.00 N ATOM 0 H LYS A 20 6.246 -11.014 10.018 1.00 0.00 H new ATOM 0 HA LYS A 20 4.673 -11.517 12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.103 -9.795 9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.282 -9.675 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.273 -8.897 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.280 -9.300 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.613 -7.450 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.011 -7.416 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.819 -5.638 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.500 -6.866 12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.421 -5.848 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.379 -6.675 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.825 -5.073 11.003 1.00 0.00 H new ATOM 292 N GLY A 21 3.514 -12.665 9.459 1.00 0.00 N ATOM 293 CA GLY A 21 2.494 -13.523 8.885 1.00 0.00 C ATOM 294 C GLY A 21 1.829 -12.907 7.670 1.00 0.00 C ATOM 295 O GLY A 21 1.223 -13.613 6.863 1.00 0.00 O ATOM 0 H GLY A 21 4.257 -12.394 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.942 -14.476 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.737 -13.736 9.640 1.00 0.00 H new ATOM 299 N VAL A 22 1.939 -11.588 7.536 1.00 0.00 N ATOM 300 CA VAL A 22 1.342 -10.879 6.410 1.00 0.00 C ATOM 301 C VAL A 22 1.803 -11.466 5.079 1.00 0.00 C ATOM 302 O VAL A 22 1.011 -12.049 4.340 1.00 0.00 O ATOM 303 CB VAL A 22 1.690 -9.378 6.444 1.00 0.00 C ATOM 304 CG1 VAL A 22 0.921 -8.624 5.369 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.406 -8.796 7.821 1.00 0.00 C ATOM 0 H VAL A 22 2.437 -10.989 8.194 1.00 0.00 H new ATOM 0 HA VAL A 22 0.262 -10.998 6.500 1.00 0.00 H new ATOM 0 HB VAL A 22 2.755 -9.267 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.181 -7.566 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.180 -9.024 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.149 -8.741 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.658 -7.735 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.349 -8.920 8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.008 -9.316 8.567 1.00 0.00 H new ATOM 315 N LEU A 23 3.089 -11.309 4.781 1.00 0.00 N ATOM 316 CA LEU A 23 3.653 -11.825 3.539 1.00 0.00 C ATOM 317 C LEU A 23 3.751 -13.347 3.578 1.00 0.00 C ATOM 318 O LEU A 23 4.344 -13.918 4.493 1.00 0.00 O ATOM 319 CB LEU A 23 5.036 -11.220 3.291 1.00 0.00 C ATOM 320 CG LEU A 23 5.549 -11.342 1.854 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.673 -10.538 0.906 1.00 0.00 C ATOM 322 CD2 LEU A 23 6.995 -10.884 1.765 1.00 0.00 C ATOM 0 H LEU A 23 3.759 -10.829 5.382 1.00 0.00 H new ATOM 0 HA LEU A 23 2.989 -11.541 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.008 -10.165 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.751 -11.701 3.958 1.00 0.00 H new ATOM 0 HG LEU A 23 5.502 -12.390 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.052 -10.636 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.650 -10.913 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.688 -9.488 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.344 -10.977 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.067 -9.843 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.613 -11.503 2.415 1.00 0.00 H new ATOM 334 N LEU A 24 3.162 -13.998 2.580 1.00 0.00 N ATOM 335 CA LEU A 24 3.181 -15.454 2.500 1.00 0.00 C ATOM 336 C LEU A 24 4.470 -15.949 1.851 1.00 0.00 C ATOM 337 O LEU A 24 5.300 -16.583 2.501 1.00 0.00 O ATOM 338 CB LEU A 24 1.970 -15.957 1.712 1.00 0.00 C ATOM 339 CG LEU A 24 0.619 -15.428 2.194 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.493 -15.864 1.251 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.336 -15.904 3.611 1.00 0.00 C ATOM 0 H LEU A 24 2.666 -13.540 1.815 1.00 0.00 H new ATOM 0 HA LEU A 24 3.135 -15.849 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.098 -15.683 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.953 -17.046 1.757 1.00 0.00 H new ATOM 0 HG LEU A 24 0.657 -14.339 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.447 -15.478 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.297 -15.474 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.533 -16.953 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.629 -15.518 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.317 -16.994 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.117 -15.542 4.279 1.00 0.00 H new ATOM 353 N GLU A 25 4.630 -15.656 0.564 1.00 0.00 N ATOM 354 CA GLU A 25 5.818 -16.072 -0.172 1.00 0.00 C ATOM 355 C GLU A 25 6.003 -15.230 -1.429 1.00 0.00 C ATOM 356 O GLU A 25 5.185 -14.363 -1.734 1.00 0.00 O ATOM 357 CB GLU A 25 5.720 -17.552 -0.544 1.00 0.00 C ATOM 358 CG GLU A 25 5.999 -18.492 0.617 1.00 0.00 C ATOM 359 CD GLU A 25 6.706 -19.762 0.182 1.00 0.00 C ATOM 360 OE1 GLU A 25 6.629 -20.102 -1.017 1.00 0.00 O ATOM 361 OE2 GLU A 25 7.335 -20.415 1.041 1.00 0.00 O ATOM 0 H GLU A 25 3.952 -15.132 0.010 1.00 0.00 H new ATOM 0 HA GLU A 25 6.685 -15.923 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.722 -17.755 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.424 -17.763 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.609 -17.977 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.059 -18.752 1.103 1.00 0.00 H new ATOM 368 N ILE A 26 7.086 -15.491 -2.156 1.00 0.00 N ATOM 369 CA ILE A 26 7.379 -14.756 -3.381 1.00 0.00 C ATOM 370 C ILE A 26 7.832 -15.698 -4.492 1.00 0.00 C ATOM 371 O ILE A 26 8.859 -16.367 -4.371 1.00 0.00 O ATOM 372 CB ILE A 26 8.469 -13.691 -3.149 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.126 -12.837 -1.927 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.630 -12.818 -4.385 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.212 -11.853 -1.554 1.00 0.00 C ATOM 0 H ILE A 26 7.774 -16.205 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 26 6.456 -14.261 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 26 9.416 -14.197 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.203 -12.291 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.934 -13.493 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.403 -12.071 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.916 -13.439 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.686 -12.318 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.901 -11.282 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.130 -12.394 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.389 -11.173 -2.387 1.00 0.00 H new ATOM 387 N GLU A 27 7.059 -15.747 -5.571 1.00 0.00 N ATOM 388 CA GLU A 27 7.381 -16.608 -6.703 1.00 0.00 C ATOM 389 C GLU A 27 8.572 -16.058 -7.483 1.00 0.00 C ATOM 390 O GLU A 27 8.432 -15.615 -8.623 1.00 0.00 O ATOM 391 CB GLU A 27 6.166 -16.747 -7.625 1.00 0.00 C ATOM 392 CG GLU A 27 5.393 -18.040 -7.421 1.00 0.00 C ATOM 393 CD GLU A 27 4.535 -18.401 -8.619 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.909 -18.029 -9.750 1.00 0.00 O ATOM 395 OE2 GLU A 27 3.489 -19.054 -8.424 1.00 0.00 O ATOM 0 H GLU A 27 6.205 -15.201 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 27 7.648 -17.592 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.496 -15.903 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.499 -16.692 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.094 -18.851 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.759 -17.945 -6.540 1.00 0.00 H new ATOM 402 N ASP A 28 9.746 -16.089 -6.859 1.00 0.00 N ATOM 403 CA ASP A 28 10.962 -15.594 -7.494 1.00 0.00 C ATOM 404 C ASP A 28 12.165 -15.761 -6.570 1.00 0.00 C ATOM 405 O ASP A 28 13.231 -16.203 -6.995 1.00 0.00 O ATOM 406 CB ASP A 28 10.802 -14.122 -7.878 1.00 0.00 C ATOM 407 CG ASP A 28 11.531 -13.776 -9.161 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.666 -14.667 -10.026 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.968 -12.614 -9.301 1.00 0.00 O ATOM 0 H ASP A 28 9.880 -16.451 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 28 11.133 -16.181 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.743 -13.892 -7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.178 -13.496 -7.069 1.00 0.00 H new ATOM 414 N LEU A 29 11.983 -15.402 -5.303 1.00 0.00 N ATOM 415 CA LEU A 29 13.053 -15.509 -4.317 1.00 0.00 C ATOM 416 C LEU A 29 12.677 -16.487 -3.208 1.00 0.00 C ATOM 417 O LEU A 29 11.527 -16.913 -3.106 1.00 0.00 O ATOM 418 CB LEU A 29 13.363 -14.135 -3.719 1.00 0.00 C ATOM 419 CG LEU A 29 13.681 -13.042 -4.741 1.00 0.00 C ATOM 420 CD1 LEU A 29 13.786 -11.688 -4.057 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.967 -13.368 -5.484 1.00 0.00 C ATOM 0 H LEU A 29 11.105 -15.035 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 29 13.942 -15.887 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.510 -13.815 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.210 -14.234 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 29 12.868 -12.998 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.013 -10.922 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.840 -11.452 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.581 -11.718 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.179 -12.581 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.790 -13.439 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.855 -14.319 -6.005 1.00 0.00 H new ATOM 433 N GLN A 30 13.655 -16.837 -2.378 1.00 0.00 N ATOM 434 CA GLN A 30 13.427 -17.764 -1.275 1.00 0.00 C ATOM 435 C GLN A 30 13.230 -17.009 0.036 1.00 0.00 C ATOM 436 O GLN A 30 13.335 -15.784 0.080 1.00 0.00 O ATOM 437 CB GLN A 30 14.600 -18.737 -1.149 1.00 0.00 C ATOM 438 CG GLN A 30 14.391 -20.042 -1.903 1.00 0.00 C ATOM 439 CD GLN A 30 15.516 -20.346 -2.874 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.498 -19.609 -2.958 1.00 0.00 O ATOM 441 NE2 GLN A 30 15.376 -21.439 -3.616 1.00 0.00 N ATOM 0 H GLN A 30 14.613 -16.493 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 30 12.519 -18.329 -1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.504 -18.254 -1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.766 -18.959 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.304 -20.860 -1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.449 -19.994 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.545 -22.022 -3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.099 -21.695 -4.288 1.00 0.00 H new ATOM 450 N VAL A 31 12.942 -17.749 1.101 1.00 0.00 N ATOM 451 CA VAL A 31 12.728 -17.151 2.414 1.00 0.00 C ATOM 452 C VAL A 31 13.945 -16.347 2.861 1.00 0.00 C ATOM 453 O VAL A 31 13.823 -15.188 3.255 1.00 0.00 O ATOM 454 CB VAL A 31 12.417 -18.223 3.476 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.003 -17.573 4.787 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.338 -19.172 2.977 1.00 0.00 C ATOM 0 H VAL A 31 12.851 -18.765 1.081 1.00 0.00 H new ATOM 0 HA VAL A 31 11.872 -16.483 2.319 1.00 0.00 H new ATOM 0 HB VAL A 31 13.322 -18.803 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.787 -18.346 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.812 -16.940 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.112 -16.966 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.132 -19.922 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.428 -18.610 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.680 -19.665 2.067 1.00 0.00 H new ATOM 466 N ASN A 32 15.116 -16.971 2.799 1.00 0.00 N ATOM 467 CA ASN A 32 16.355 -16.313 3.200 1.00 0.00 C ATOM 468 C ASN A 32 16.649 -15.103 2.317 1.00 0.00 C ATOM 469 O ASN A 32 17.378 -14.195 2.717 1.00 0.00 O ATOM 470 CB ASN A 32 17.522 -17.299 3.138 1.00 0.00 C ATOM 471 CG ASN A 32 17.663 -17.942 1.772 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.075 -18.989 1.502 1.00 0.00 O ATOM 473 ND2 ASN A 32 18.447 -17.316 0.902 1.00 0.00 N ATOM 0 H ASN A 32 15.234 -17.931 2.475 1.00 0.00 H new ATOM 0 HA ASN A 32 16.233 -15.965 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.447 -16.780 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.378 -18.076 3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.581 -17.701 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.915 -16.450 1.169 1.00 0.00 H new ATOM 480 N GLN A 33 16.083 -15.096 1.114 1.00 0.00 N ATOM 481 CA GLN A 33 16.290 -13.997 0.178 1.00 0.00 C ATOM 482 C GLN A 33 15.488 -12.762 0.585 1.00 0.00 C ATOM 483 O GLN A 33 15.806 -11.646 0.178 1.00 0.00 O ATOM 484 CB GLN A 33 15.902 -14.426 -1.239 1.00 0.00 C ATOM 485 CG GLN A 33 16.845 -15.453 -1.842 1.00 0.00 C ATOM 486 CD GLN A 33 17.137 -15.186 -3.307 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.853 -14.244 -3.647 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.583 -16.018 -4.181 1.00 0.00 N ATOM 0 H GLN A 33 15.478 -15.839 0.765 1.00 0.00 H new ATOM 0 HA GLN A 33 17.348 -13.738 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.893 -14.837 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.877 -13.546 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.781 -15.454 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.410 -16.447 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.996 -16.785 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.744 -15.890 -5.180 1.00 0.00 H new ATOM 497 N PHE A 34 14.448 -12.968 1.389 1.00 0.00 N ATOM 498 CA PHE A 34 13.605 -11.867 1.846 1.00 0.00 C ATOM 499 C PHE A 34 14.444 -10.754 2.471 1.00 0.00 C ATOM 500 O PHE A 34 14.055 -9.586 2.453 1.00 0.00 O ATOM 501 CB PHE A 34 12.574 -12.371 2.857 1.00 0.00 C ATOM 502 CG PHE A 34 11.352 -12.979 2.225 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.448 -13.700 1.046 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.106 -12.830 2.814 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.325 -14.260 0.466 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.980 -13.387 2.239 1.00 0.00 C ATOM 507 CZ PHE A 34 9.090 -14.104 1.062 1.00 0.00 C ATOM 0 H PHE A 34 14.169 -13.885 1.737 1.00 0.00 H new ATOM 0 HA PHE A 34 13.086 -11.460 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.045 -13.112 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.268 -11.541 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.411 -13.826 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.014 -12.272 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.414 -14.820 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.015 -13.263 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.212 -14.541 0.610 1.00 0.00 H new ATOM 517 N LYS A 35 15.595 -11.125 3.024 1.00 0.00 N ATOM 518 CA LYS A 35 16.486 -10.158 3.654 1.00 0.00 C ATOM 519 C LYS A 35 16.937 -9.099 2.653 1.00 0.00 C ATOM 520 O LYS A 35 17.191 -7.953 3.020 1.00 0.00 O ATOM 521 CB LYS A 35 17.704 -10.868 4.248 1.00 0.00 C ATOM 522 CG LYS A 35 17.519 -11.284 5.698 1.00 0.00 C ATOM 523 CD LYS A 35 18.763 -11.967 6.245 1.00 0.00 C ATOM 524 CE LYS A 35 18.675 -13.477 6.103 1.00 0.00 C ATOM 525 NZ LYS A 35 19.845 -14.162 6.719 1.00 0.00 N ATOM 0 H LYS A 35 15.932 -12.087 3.048 1.00 0.00 H new ATOM 0 HA LYS A 35 15.936 -9.663 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.926 -11.752 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.569 -10.209 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.289 -10.407 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.667 -11.959 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.643 -11.601 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.891 -11.706 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.758 -13.833 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.615 -13.739 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.747 -15.191 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.719 -13.842 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.888 -13.933 7.732 1.00 0.00 H new ATOM 539 N ASN A 36 17.035 -9.491 1.386 1.00 0.00 N ATOM 540 CA ASN A 36 17.456 -8.574 0.333 1.00 0.00 C ATOM 541 C ASN A 36 16.252 -8.021 -0.423 1.00 0.00 C ATOM 542 O ASN A 36 16.316 -7.790 -1.630 1.00 0.00 O ATOM 543 CB ASN A 36 18.403 -9.279 -0.640 1.00 0.00 C ATOM 544 CG ASN A 36 17.746 -10.451 -1.341 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.727 -10.296 -2.014 1.00 0.00 O ATOM 546 ND2 ASN A 36 18.327 -11.636 -1.185 1.00 0.00 N ATOM 0 H ASN A 36 16.829 -10.437 1.064 1.00 0.00 H new ATOM 0 HA ASN A 36 17.981 -7.742 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.753 -8.564 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.281 -9.630 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.929 -12.462 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.171 -11.720 -0.618 1.00 0.00 H new ATOM 553 N VAL A 37 15.155 -7.810 0.297 1.00 0.00 N ATOM 554 CA VAL A 37 13.936 -7.282 -0.305 1.00 0.00 C ATOM 555 C VAL A 37 13.223 -6.329 0.648 1.00 0.00 C ATOM 556 O VAL A 37 12.896 -6.693 1.777 1.00 0.00 O ATOM 557 CB VAL A 37 12.967 -8.413 -0.701 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.798 -7.859 -1.501 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.699 -9.491 -1.487 1.00 0.00 C ATOM 0 H VAL A 37 15.085 -7.996 1.297 1.00 0.00 H new ATOM 0 HA VAL A 37 14.236 -6.741 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 37 12.572 -8.864 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.125 -8.672 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.260 -7.127 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.171 -7.380 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.000 -10.282 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.124 -9.056 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.498 -9.908 -0.875 1.00 0.00 H new ATOM 569 N ILE A 38 12.986 -5.105 0.186 1.00 0.00 N ATOM 570 CA ILE A 38 12.314 -4.099 0.998 1.00 0.00 C ATOM 571 C ILE A 38 11.128 -3.493 0.254 1.00 0.00 C ATOM 572 O ILE A 38 11.207 -3.219 -0.944 1.00 0.00 O ATOM 573 CB ILE A 38 13.283 -2.972 1.412 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.587 -1.986 2.351 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.822 -2.255 0.183 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.504 -1.408 3.407 1.00 0.00 C ATOM 0 H ILE A 38 13.250 -4.787 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 38 11.954 -4.604 1.895 1.00 0.00 H new ATOM 0 HB ILE A 38 14.124 -3.417 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.165 -1.171 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.754 -2.490 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.504 -1.463 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.355 -2.966 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.994 -1.822 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.944 -0.717 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.906 -2.214 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.324 -0.876 2.925 1.00 0.00 H new ATOM 588 N PHE A 39 10.029 -3.285 0.973 1.00 0.00 N ATOM 589 CA PHE A 39 8.826 -2.710 0.381 1.00 0.00 C ATOM 590 C PHE A 39 8.596 -1.290 0.888 1.00 0.00 C ATOM 591 O PHE A 39 8.644 -1.034 2.092 1.00 0.00 O ATOM 592 CB PHE A 39 7.609 -3.580 0.700 1.00 0.00 C ATOM 593 CG PHE A 39 7.578 -4.874 -0.063 1.00 0.00 C ATOM 594 CD1 PHE A 39 7.175 -4.903 -1.388 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.954 -6.060 0.547 1.00 0.00 C ATOM 596 CE1 PHE A 39 7.146 -6.092 -2.092 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.928 -7.253 -0.153 1.00 0.00 C ATOM 598 CZ PHE A 39 7.523 -7.268 -1.473 1.00 0.00 C ATOM 0 H PHE A 39 9.947 -3.506 1.965 1.00 0.00 H new ATOM 0 HA PHE A 39 8.965 -2.674 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.598 -3.797 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.702 -3.016 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.880 -3.986 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.271 -6.053 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.829 -6.102 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.224 -8.171 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.501 -8.198 -2.021 1.00 0.00 H new ATOM 608 N GLU A 40 8.347 -0.370 -0.038 1.00 0.00 N ATOM 609 CA GLU A 40 8.111 1.026 0.315 1.00 0.00 C ATOM 610 C GLU A 40 6.641 1.392 0.131 1.00 0.00 C ATOM 611 O GLU A 40 6.176 1.586 -0.992 1.00 0.00 O ATOM 612 CB GLU A 40 8.988 1.945 -0.536 1.00 0.00 C ATOM 613 CG GLU A 40 8.851 3.417 -0.182 1.00 0.00 C ATOM 614 CD GLU A 40 8.829 4.311 -1.405 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.795 4.334 -2.104 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.846 4.989 -1.664 1.00 0.00 O ATOM 0 H GLU A 40 8.303 -0.565 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 40 8.371 1.158 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.030 1.648 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.732 1.807 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.934 3.566 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.679 3.710 0.463 1.00 0.00 H new ATOM 623 N ILE A 41 5.916 1.487 1.241 1.00 0.00 N ATOM 624 CA ILE A 41 4.501 1.829 1.203 1.00 0.00 C ATOM 625 C ILE A 41 4.288 3.313 1.481 1.00 0.00 C ATOM 626 O ILE A 41 4.401 3.763 2.622 1.00 0.00 O ATOM 627 CB ILE A 41 3.694 1.006 2.224 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.061 -0.477 2.127 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.201 1.205 2.002 1.00 0.00 C ATOM 630 CD1 ILE A 41 4.804 -0.995 3.340 1.00 0.00 C ATOM 0 H ILE A 41 6.287 1.331 2.178 1.00 0.00 H new ATOM 0 HA ILE A 41 4.146 1.594 0.199 1.00 0.00 H new ATOM 0 HB ILE A 41 3.943 1.355 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.150 -1.061 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.675 -0.634 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.643 0.617 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.953 2.260 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.936 0.881 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.032 -2.052 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.732 -0.437 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.184 -0.870 4.228 1.00 0.00 H new ATOM 642 N SER A 42 3.980 4.069 0.433 1.00 0.00 N ATOM 643 CA SER A 42 3.751 5.502 0.568 1.00 0.00 C ATOM 644 C SER A 42 2.290 5.790 0.914 1.00 0.00 C ATOM 645 O SER A 42 1.380 5.287 0.255 1.00 0.00 O ATOM 646 CB SER A 42 4.130 6.223 -0.728 1.00 0.00 C ATOM 647 OG SER A 42 5.164 5.536 -1.410 1.00 0.00 O ATOM 0 H SER A 42 3.883 3.714 -0.518 1.00 0.00 H new ATOM 0 HA SER A 42 4.378 5.871 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.255 6.302 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.452 7.239 -0.502 1.00 0.00 H new ATOM 0 HG SER A 42 5.387 6.016 -2.235 1.00 0.00 H new ATOM 653 N PRO A 43 2.042 6.603 1.958 1.00 0.00 N ATOM 654 CA PRO A 43 0.681 6.947 2.381 1.00 0.00 C ATOM 655 C PRO A 43 0.006 7.923 1.423 1.00 0.00 C ATOM 656 O PRO A 43 0.610 8.369 0.448 1.00 0.00 O ATOM 657 CB PRO A 43 0.894 7.601 3.746 1.00 0.00 C ATOM 658 CG PRO A 43 2.265 8.177 3.678 1.00 0.00 C ATOM 659 CD PRO A 43 3.064 7.249 2.806 1.00 0.00 C ATOM 0 HA PRO A 43 0.027 6.075 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.149 8.373 3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.810 6.872 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.245 9.184 3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.705 8.253 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.796 7.792 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.615 6.518 3.398 1.00 0.00 H new ATOM 667 N THR A 44 -1.250 8.248 1.707 1.00 0.00 N ATOM 668 CA THR A 44 -2.010 9.171 0.870 1.00 0.00 C ATOM 669 C THR A 44 -2.746 10.198 1.724 1.00 0.00 C ATOM 670 O THR A 44 -2.938 10.000 2.924 1.00 0.00 O ATOM 671 CB THR A 44 -3.007 8.403 0.003 1.00 0.00 C ATOM 672 OG1 THR A 44 -4.101 7.947 0.780 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.400 7.200 -0.686 1.00 0.00 C ATOM 0 H THR A 44 -1.764 7.886 2.510 1.00 0.00 H new ATOM 0 HA THR A 44 -1.308 9.698 0.223 1.00 0.00 H new ATOM 0 HB THR A 44 -3.332 9.112 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.315 7.023 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.162 6.701 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.585 7.524 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.015 6.507 0.063 1.00 0.00 H new ATOM 681 N GLU A 45 -3.156 11.296 1.097 1.00 0.00 N ATOM 682 CA GLU A 45 -3.872 12.355 1.799 1.00 0.00 C ATOM 683 C GLU A 45 -5.294 11.918 2.140 1.00 0.00 C ATOM 684 O GLU A 45 -5.847 12.319 3.163 1.00 0.00 O ATOM 685 CB GLU A 45 -3.905 13.627 0.951 1.00 0.00 C ATOM 686 CG GLU A 45 -3.791 14.905 1.765 1.00 0.00 C ATOM 687 CD GLU A 45 -4.967 15.107 2.700 1.00 0.00 C ATOM 688 OE1 GLU A 45 -6.090 14.699 2.338 1.00 0.00 O ATOM 689 OE2 GLU A 45 -4.765 15.673 3.796 1.00 0.00 O ATOM 0 H GLU A 45 -3.005 11.476 0.104 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.343 12.562 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.090 13.593 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.835 13.650 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.869 14.880 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.719 15.757 1.089 1.00 0.00 H new ATOM 696 N GLU A 46 -5.878 11.095 1.276 1.00 0.00 N ATOM 697 CA GLU A 46 -7.235 10.604 1.486 1.00 0.00 C ATOM 698 C GLU A 46 -7.223 9.281 2.246 1.00 0.00 C ATOM 699 O GLU A 46 -6.169 8.680 2.450 1.00 0.00 O ATOM 700 CB GLU A 46 -7.950 10.431 0.143 1.00 0.00 C ATOM 701 CG GLU A 46 -8.868 11.589 -0.210 1.00 0.00 C ATOM 702 CD GLU A 46 -9.849 11.240 -1.312 1.00 0.00 C ATOM 703 OE1 GLU A 46 -10.893 10.627 -1.005 1.00 0.00 O ATOM 704 OE2 GLU A 46 -9.573 11.580 -2.481 1.00 0.00 O ATOM 0 H GLU A 46 -5.433 10.754 0.424 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.774 11.339 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.205 10.316 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.533 9.510 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.420 11.895 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.266 12.443 -0.521 1.00 0.00 H new ATOM 711 N VAL A 47 -8.404 8.834 2.663 1.00 0.00 N ATOM 712 CA VAL A 47 -8.531 7.584 3.400 1.00 0.00 C ATOM 713 C VAL A 47 -9.140 6.490 2.526 1.00 0.00 C ATOM 714 O VAL A 47 -10.303 6.574 2.130 1.00 0.00 O ATOM 715 CB VAL A 47 -9.394 7.762 4.666 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.811 8.179 4.299 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.401 6.485 5.492 1.00 0.00 C ATOM 0 H VAL A 47 -9.286 9.320 2.502 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.525 7.287 3.697 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.956 8.556 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.402 8.299 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.783 9.124 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.264 7.413 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.015 6.630 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.811 5.669 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.382 6.239 5.791 1.00 0.00 H new ATOM 727 N GLY A 48 -8.347 5.466 2.230 1.00 0.00 N ATOM 728 CA GLY A 48 -8.826 4.372 1.407 1.00 0.00 C ATOM 729 C GLY A 48 -7.793 3.912 0.397 1.00 0.00 C ATOM 730 O GLY A 48 -7.619 2.713 0.178 1.00 0.00 O ATOM 0 H GLY A 48 -7.381 5.374 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.103 3.534 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.729 4.684 0.882 1.00 0.00 H new ATOM 734 N ASP A 49 -7.104 4.868 -0.219 1.00 0.00 N ATOM 735 CA ASP A 49 -6.083 4.554 -1.212 1.00 0.00 C ATOM 736 C ASP A 49 -4.700 4.500 -0.571 1.00 0.00 C ATOM 737 O ASP A 49 -4.404 5.254 0.356 1.00 0.00 O ATOM 738 CB ASP A 49 -6.097 5.594 -2.334 1.00 0.00 C ATOM 739 CG ASP A 49 -5.409 5.095 -3.590 1.00 0.00 C ATOM 740 OD1 ASP A 49 -4.181 4.869 -3.545 1.00 0.00 O ATOM 741 OD2 ASP A 49 -6.097 4.933 -4.620 1.00 0.00 O ATOM 0 H ASP A 49 -7.234 5.865 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.308 3.573 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.128 5.859 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.605 6.503 -1.990 1.00 0.00 H new ATOM 746 N PHE A 50 -3.857 3.602 -1.070 1.00 0.00 N ATOM 747 CA PHE A 50 -2.506 3.448 -0.546 1.00 0.00 C ATOM 748 C PHE A 50 -1.517 3.156 -1.670 1.00 0.00 C ATOM 749 O PHE A 50 -1.879 2.577 -2.694 1.00 0.00 O ATOM 750 CB PHE A 50 -2.463 2.326 0.491 1.00 0.00 C ATOM 751 CG PHE A 50 -3.512 2.454 1.558 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.341 3.333 2.614 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.669 1.694 1.504 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.305 3.454 3.598 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.637 1.809 2.485 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.454 2.691 3.533 1.00 0.00 C ATOM 0 H PHE A 50 -4.086 2.970 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.220 4.385 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.587 1.369 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.479 2.313 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.444 3.931 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.817 1.004 0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.159 4.144 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.534 1.211 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.209 2.783 4.300 1.00 0.00 H new ATOM 766 N GLU A 51 -0.267 3.562 -1.471 1.00 0.00 N ATOM 767 CA GLU A 51 0.775 3.343 -2.467 1.00 0.00 C ATOM 768 C GLU A 51 1.671 2.174 -2.069 1.00 0.00 C ATOM 769 O GLU A 51 2.300 2.194 -1.011 1.00 0.00 O ATOM 770 CB GLU A 51 1.614 4.610 -2.645 1.00 0.00 C ATOM 771 CG GLU A 51 1.932 4.931 -4.096 1.00 0.00 C ATOM 772 CD GLU A 51 2.480 6.333 -4.277 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.755 7.299 -3.959 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.634 6.465 -4.736 1.00 0.00 O ATOM 0 H GLU A 51 0.049 4.044 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 51 0.293 3.100 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.082 5.453 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.547 4.498 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.657 4.210 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.029 4.818 -4.696 1.00 0.00 H new ATOM 781 N VAL A 52 1.724 1.157 -2.922 1.00 0.00 N ATOM 782 CA VAL A 52 2.542 -0.020 -2.659 1.00 0.00 C ATOM 783 C VAL A 52 3.665 -0.147 -3.684 1.00 0.00 C ATOM 784 O VAL A 52 3.430 -0.513 -4.835 1.00 0.00 O ATOM 785 CB VAL A 52 1.698 -1.309 -2.678 1.00 0.00 C ATOM 786 CG1 VAL A 52 2.535 -2.505 -2.250 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.474 -1.160 -1.784 1.00 0.00 C ATOM 0 H VAL A 52 1.209 1.125 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 52 2.971 0.109 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 52 1.357 -1.481 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.921 -3.405 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.376 -2.624 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.909 -2.344 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.110 -2.080 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.793 -0.961 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.138 -0.332 -2.140 1.00 0.00 H new ATOM 797 N LYS A 53 4.886 0.157 -3.256 1.00 0.00 N ATOM 798 CA LYS A 53 6.047 0.078 -4.136 1.00 0.00 C ATOM 799 C LYS A 53 7.096 -0.870 -3.566 1.00 0.00 C ATOM 800 O LYS A 53 7.312 -0.918 -2.356 1.00 0.00 O ATOM 801 CB LYS A 53 6.654 1.467 -4.343 1.00 0.00 C ATOM 802 CG LYS A 53 7.835 1.478 -5.299 1.00 0.00 C ATOM 803 CD LYS A 53 8.919 2.438 -4.835 1.00 0.00 C ATOM 804 CE LYS A 53 10.001 2.608 -5.890 1.00 0.00 C ATOM 805 NZ LYS A 53 11.265 3.137 -5.310 1.00 0.00 N ATOM 0 H LYS A 53 5.097 0.460 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 53 5.716 -0.311 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.884 2.138 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.974 1.862 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.248 0.473 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.496 1.764 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.475 3.407 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.364 2.067 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.195 1.648 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.647 3.286 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.976 3.238 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.086 4.065 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.617 2.478 -4.586 1.00 0.00 H new ATOM 819 N ALA A 54 7.749 -1.622 -4.447 1.00 0.00 N ATOM 820 CA ALA A 54 8.778 -2.566 -4.031 1.00 0.00 C ATOM 821 C ALA A 54 10.157 -2.117 -4.502 1.00 0.00 C ATOM 822 O ALA A 54 10.476 -2.192 -5.688 1.00 0.00 O ATOM 823 CB ALA A 54 8.462 -3.957 -4.564 1.00 0.00 C ATOM 0 H ALA A 54 7.583 -1.595 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 54 8.789 -2.599 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.238 -4.653 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.498 -4.286 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.423 -3.929 -5.653 1.00 0.00 H new ATOM 974 N PHE A 64 2.267 1.206 -7.865 1.00 0.00 N ATOM 975 CA PHE A 64 1.114 0.326 -7.712 1.00 0.00 C ATOM 976 C PHE A 64 0.189 0.829 -6.607 1.00 0.00 C ATOM 977 O PHE A 64 0.613 1.019 -5.468 1.00 0.00 O ATOM 978 CB PHE A 64 1.572 -1.100 -7.400 1.00 0.00 C ATOM 979 CG PHE A 64 0.494 -2.130 -7.580 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.068 -2.354 -8.826 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.040 -2.873 -6.502 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.061 -3.300 -8.995 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.954 -3.821 -6.664 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.504 -4.034 -7.913 1.00 0.00 C ATOM 0 HA PHE A 64 0.562 0.325 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.414 -1.351 -8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.933 -1.140 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.274 -1.782 -9.676 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.467 -2.710 -5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.490 -3.465 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.299 -4.393 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.280 -4.774 -8.043 1.00 0.00 H new ATOM 994 N MET A 65 -1.076 1.041 -6.954 1.00 0.00 N ATOM 995 CA MET A 65 -2.061 1.522 -5.993 1.00 0.00 C ATOM 996 C MET A 65 -2.834 0.360 -5.378 1.00 0.00 C ATOM 997 O MET A 65 -2.912 -0.723 -5.959 1.00 0.00 O ATOM 998 CB MET A 65 -3.030 2.495 -6.667 1.00 0.00 C ATOM 999 CG MET A 65 -2.573 3.944 -6.612 1.00 0.00 C ATOM 1000 SD MET A 65 -3.225 4.928 -7.975 1.00 0.00 S ATOM 1001 CE MET A 65 -4.692 5.623 -7.217 1.00 0.00 C ATOM 0 H MET A 65 -1.443 0.887 -7.893 1.00 0.00 H new ATOM 0 HA MET A 65 -1.530 2.043 -5.197 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.159 2.203 -7.709 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.006 2.412 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.889 4.385 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.484 3.979 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.088 6.416 -7.851 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.444 4.843 -7.098 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.437 6.033 -6.240 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.404 0.592 -4.200 1.00 0.00 N ATOM 1012 CA LEU A 66 -4.171 -0.436 -3.506 1.00 0.00 C ATOM 1013 C LEU A 66 -5.322 0.182 -2.720 1.00 0.00 C ATOM 1014 O LEU A 66 -5.108 0.847 -1.707 1.00 0.00 O ATOM 1015 CB LEU A 66 -3.264 -1.231 -2.565 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.929 -2.426 -1.882 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -4.016 -3.607 -2.836 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -3.167 -2.811 -0.623 1.00 0.00 C ATOM 0 H LEU A 66 -3.349 1.483 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.587 -1.111 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.403 -1.588 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.884 -0.558 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.942 -2.140 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.492 -4.448 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.605 -3.327 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.013 -3.894 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.654 -3.663 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.143 -3.077 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.157 -1.968 0.068 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.544 -0.043 -3.194 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.729 0.491 -2.534 1.00 0.00 C ATOM 1032 C HIS A 67 -8.102 -0.352 -1.319 1.00 0.00 C ATOM 1033 O HIS A 67 -7.536 -1.422 -1.096 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.902 0.546 -3.516 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.565 1.887 -3.581 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -10.163 2.376 -4.724 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -9.724 2.845 -2.637 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -10.659 3.576 -4.480 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.407 3.883 -3.221 1.00 0.00 N ATOM 0 H HIS A 67 -6.739 -0.591 -4.032 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.503 1.501 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.546 0.277 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.641 -0.202 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.378 2.801 -1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -11.182 4.200 -5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -10.676 4.751 -2.757 1.00 0.00 H new ATOM 1048 N TYR A 68 -9.059 0.137 -0.536 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.507 -0.572 0.657 1.00 0.00 C ATOM 1050 C TYR A 68 -10.673 -1.499 0.333 1.00 0.00 C ATOM 1051 O TYR A 68 -10.825 -2.558 0.942 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.917 0.423 1.743 1.00 0.00 C ATOM 1053 CG TYR A 68 -10.096 -0.207 3.106 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -9.046 -0.870 3.730 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.316 -0.140 3.768 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -9.207 -1.447 4.975 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.484 -0.715 5.014 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.426 -1.367 5.612 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.590 -1.941 6.852 1.00 0.00 O ATOM 0 H TYR A 68 -9.539 1.021 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.677 -1.177 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.162 1.206 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.850 0.904 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.089 -0.935 3.234 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.146 0.369 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.381 -1.958 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.438 -0.654 5.516 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.508 -1.793 7.162 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.496 -1.094 -0.629 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.649 -1.889 -1.034 1.00 0.00 C ATOM 1071 C GLN A 69 -12.208 -3.195 -1.688 1.00 0.00 C ATOM 1072 O GLN A 69 -12.820 -4.243 -1.481 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.531 -1.094 -1.998 1.00 0.00 C ATOM 1074 CG GLN A 69 -15.004 -1.465 -1.921 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.594 -1.795 -3.279 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -15.126 -1.305 -4.308 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -16.629 -2.627 -3.288 1.00 0.00 N ATOM 0 H GLN A 69 -11.385 -0.220 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.225 -2.128 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.421 -0.031 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.177 -1.253 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.125 -2.322 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.560 -0.639 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.984 -3.009 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.069 -2.884 -4.172 1.00 0.00 H new ATOM 1086 N ASP A 70 -11.141 -3.124 -2.478 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.618 -4.300 -3.163 1.00 0.00 C ATOM 1088 C ASP A 70 -10.200 -5.372 -2.162 1.00 0.00 C ATOM 1089 O ASP A 70 -10.447 -6.559 -2.370 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.426 -3.915 -4.042 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.808 -2.943 -5.141 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.956 -3.018 -5.627 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.960 -2.107 -5.515 1.00 0.00 O ATOM 0 H ASP A 70 -10.622 -2.265 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.410 -4.705 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.649 -3.470 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.001 -4.814 -4.488 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.566 -4.944 -1.075 1.00 0.00 N ATOM 1099 CA LEU A 71 -9.114 -5.868 -0.041 1.00 0.00 C ATOM 1100 C LEU A 71 -10.297 -6.567 0.620 1.00 0.00 C ATOM 1101 O LEU A 71 -10.205 -7.730 1.011 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.292 -5.123 1.014 1.00 0.00 C ATOM 1103 CG LEU A 71 -7.036 -4.429 0.486 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.470 -3.483 1.532 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.995 -5.459 0.074 1.00 0.00 C ATOM 0 H LEU A 71 -9.354 -3.964 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.487 -6.624 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.929 -4.376 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.999 -5.830 1.790 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.307 -3.843 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.577 -2.998 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.215 -2.726 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.212 -4.045 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.107 -4.949 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.727 -6.070 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.404 -6.096 -0.710 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.410 -5.849 0.741 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.612 -6.399 1.355 1.00 0.00 C ATOM 1119 C LEU A 72 -13.347 -7.317 0.383 1.00 0.00 C ATOM 1120 O LEU A 72 -13.971 -8.297 0.791 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.539 -5.271 1.810 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.918 -4.283 2.799 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.505 -2.894 2.605 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -13.130 -4.758 4.229 1.00 0.00 C ATOM 0 H LEU A 72 -11.503 -4.885 0.422 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.312 -6.985 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.874 -4.720 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.425 -5.711 2.267 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.846 -4.232 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.051 -2.205 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.303 -2.552 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.582 -2.928 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.682 -4.044 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.198 -4.838 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.662 -5.733 4.362 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.270 -6.992 -0.904 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.928 -7.788 -1.934 1.00 0.00 C ATOM 1138 C GLN A 73 -13.392 -9.216 -1.943 1.00 0.00 C ATOM 1139 O GLN A 73 -14.121 -10.162 -2.236 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.733 -7.143 -3.308 1.00 0.00 C ATOM 1141 CG GLN A 73 -15.013 -7.048 -4.123 1.00 0.00 C ATOM 1142 CD GLN A 73 -15.059 -8.055 -5.255 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -14.033 -8.386 -5.850 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -16.254 -8.546 -5.561 1.00 0.00 N ATOM 0 H GLN A 73 -12.759 -6.183 -1.258 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.994 -7.824 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.322 -6.142 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.997 -7.719 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.869 -7.205 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.105 -6.042 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.078 -8.244 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.348 -9.226 -6.316 1.00 0.00 H new ATOM 1153 N LEU A 74 -12.110 -9.363 -1.620 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.476 -10.676 -1.591 1.00 0.00 C ATOM 1155 C LEU A 74 -11.926 -11.469 -0.368 1.00 0.00 C ATOM 1156 O LEU A 74 -12.036 -12.694 -0.417 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.953 -10.529 -1.586 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.362 -9.865 -2.831 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.844 -9.821 -2.743 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.804 -10.600 -4.086 1.00 0.00 C ATOM 0 H LEU A 74 -11.491 -8.590 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.779 -11.219 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.662 -9.948 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.508 -11.518 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.732 -8.841 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.441 -9.345 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.547 -9.250 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.454 -10.836 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.375 -10.114 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.463 -11.634 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.892 -10.579 -4.156 1.00 0.00 H new ATOM 1172 N GLN A 75 -12.184 -10.762 0.727 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.622 -11.400 1.963 1.00 0.00 C ATOM 1174 C GLN A 75 -14.035 -11.957 1.815 1.00 0.00 C ATOM 1175 O GLN A 75 -14.383 -12.965 2.431 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.567 -10.402 3.123 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.660 -10.843 4.260 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.535 -9.793 5.346 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.104 -8.706 5.243 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.788 -10.113 6.396 1.00 0.00 N ATOM 0 H GLN A 75 -12.097 -9.747 0.784 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.947 -12.229 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.223 -9.439 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.575 -10.251 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.049 -11.764 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.670 -11.070 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.334 -11.026 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.668 -9.446 7.159 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.845 -11.294 0.996 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.219 -11.723 0.769 1.00 0.00 C ATOM 1191 C TYR A 76 -16.266 -12.918 -0.178 1.00 0.00 C ATOM 1192 O TYR A 76 -17.080 -13.827 -0.007 1.00 0.00 O ATOM 1193 CB TYR A 76 -17.047 -10.572 0.196 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.533 -10.850 0.168 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.265 -10.933 1.346 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -19.204 -11.028 -1.035 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.623 -11.188 1.325 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.562 -11.281 -1.064 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.267 -11.360 0.118 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.619 -11.613 0.094 1.00 0.00 O ATOM 0 H TYR A 76 -14.573 -10.458 0.479 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.642 -12.024 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.865 -9.675 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.706 -10.360 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.765 -10.796 2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.655 -10.968 -1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.177 -11.252 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.069 -11.416 -2.008 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.918 -11.708 -0.835 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.388 -12.910 -1.176 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.330 -13.993 -2.150 1.00 0.00 C ATOM 1212 C GLU A 77 -14.650 -15.223 -1.556 1.00 0.00 C ATOM 1213 O GLU A 77 -15.129 -16.346 -1.712 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.581 -13.540 -3.405 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.464 -12.821 -4.412 1.00 0.00 C ATOM 1216 CD GLU A 77 -14.796 -12.663 -5.763 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -13.755 -11.975 -5.835 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.314 -13.224 -6.752 1.00 0.00 O ATOM 0 H GLU A 77 -14.708 -12.166 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.352 -14.259 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.765 -12.879 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.131 -14.410 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.395 -13.374 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.726 -11.837 -4.023 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.531 -15.001 -0.872 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.805 -16.101 -0.265 1.00 0.00 C ATOM 1227 C GLY A 78 -11.310 -16.023 -0.516 1.00 0.00 C ATOM 1228 O GLY A 78 -10.521 -16.626 0.210 1.00 0.00 O ATOM 0 H GLY A 78 -13.115 -14.081 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.990 -16.104 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.187 -17.044 -0.657 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.920 -15.278 -1.547 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.511 -15.126 -1.891 1.00 0.00 C ATOM 1234 C VAL A 79 -8.706 -14.604 -0.706 1.00 0.00 C ATOM 1235 O VAL A 79 -8.694 -13.405 -0.430 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.324 -14.169 -3.083 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.878 -14.179 -3.556 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.266 -14.540 -4.219 1.00 0.00 C ATOM 0 H VAL A 79 -11.560 -14.771 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.146 -16.116 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.567 -13.159 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.766 -13.497 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.227 -13.860 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.604 -15.187 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.119 -13.853 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.057 -15.558 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.297 -14.475 -3.872 1.00 0.00 H new ATOM 1248 N ALA A 80 -8.035 -15.514 -0.007 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.226 -15.147 1.148 1.00 0.00 C ATOM 1250 C ALA A 80 -5.840 -14.678 0.720 1.00 0.00 C ATOM 1251 O ALA A 80 -5.228 -13.835 1.377 1.00 0.00 O ATOM 1252 CB ALA A 80 -7.114 -16.321 2.109 1.00 0.00 C ATOM 0 H ALA A 80 -8.036 -16.511 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.720 -14.320 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.507 -16.032 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.109 -16.609 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.646 -17.164 1.601 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.351 -15.229 -0.387 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.037 -14.867 -0.904 1.00 0.00 C ATOM 1260 C VAL A 81 -4.150 -13.807 -1.995 1.00 0.00 C ATOM 1261 O VAL A 81 -5.041 -13.867 -2.843 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.300 -16.094 -1.472 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.869 -15.737 -1.844 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.329 -17.243 -0.474 1.00 0.00 C ATOM 0 H VAL A 81 -5.845 -15.927 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.467 -14.465 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.815 -16.415 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.366 -16.618 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.875 -14.950 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.339 -15.387 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.804 -18.102 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.841 -16.934 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.363 -17.517 -0.265 1.00 0.00 H new ATOM 1274 N MET A 82 -3.241 -12.837 -1.968 1.00 0.00 N ATOM 1275 CA MET A 82 -3.239 -11.764 -2.956 1.00 0.00 C ATOM 1276 C MET A 82 -1.992 -11.832 -3.830 1.00 0.00 C ATOM 1277 O MET A 82 -0.867 -11.793 -3.329 1.00 0.00 O ATOM 1278 CB MET A 82 -3.316 -10.403 -2.263 1.00 0.00 C ATOM 1279 CG MET A 82 -3.784 -9.282 -3.178 1.00 0.00 C ATOM 1280 SD MET A 82 -3.929 -7.702 -2.321 1.00 0.00 S ATOM 1281 CE MET A 82 -2.203 -7.288 -2.080 1.00 0.00 C ATOM 0 H MET A 82 -2.497 -12.772 -1.273 1.00 0.00 H new ATOM 0 HA MET A 82 -4.115 -11.889 -3.593 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.995 -10.475 -1.413 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.333 -10.150 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.084 -9.179 -4.007 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.750 -9.548 -3.608 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.126 -6.389 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.698 -8.113 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.733 -7.110 -3.047 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.197 -11.933 -5.139 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.089 -12.005 -6.084 1.00 0.00 C ATOM 1293 C LYS A 83 -0.606 -10.609 -6.462 1.00 0.00 C ATOM 1294 O LYS A 83 -1.267 -9.893 -7.215 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.512 -12.769 -7.341 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.400 -12.923 -8.363 1.00 0.00 C ATOM 1297 CD LYS A 83 0.684 -13.869 -7.871 1.00 0.00 C ATOM 1298 CE LYS A 83 0.528 -15.258 -8.469 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.816 -15.782 -9.001 1.00 0.00 N ATOM 0 H LYS A 83 -3.121 -11.967 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.268 -12.537 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.868 -13.758 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.351 -12.251 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.814 -13.298 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.037 -11.947 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.663 -13.468 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.645 -13.934 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.145 -15.939 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.210 -15.227 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.703 -16.783 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.092 -15.236 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.554 -15.694 -8.273 1.00 0.00 H new ATOM 1313 N LEU A 84 0.553 -10.225 -5.933 1.00 0.00 N ATOM 1314 CA LEU A 84 1.123 -8.913 -6.214 1.00 0.00 C ATOM 1315 C LEU A 84 2.196 -9.004 -7.295 1.00 0.00 C ATOM 1316 O LEU A 84 3.164 -9.753 -7.161 1.00 0.00 O ATOM 1317 CB LEU A 84 1.718 -8.309 -4.940 1.00 0.00 C ATOM 1318 CG LEU A 84 0.731 -7.533 -4.068 1.00 0.00 C ATOM 1319 CD1 LEU A 84 1.317 -7.287 -2.687 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.355 -6.217 -4.732 1.00 0.00 C ATOM 0 H LEU A 84 1.114 -10.804 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 84 0.322 -8.268 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.152 -9.112 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.534 -7.643 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.173 -8.132 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.600 -6.733 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.535 -8.242 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.236 -6.709 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.348 -5.677 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.251 -5.613 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.107 -6.416 -5.699 1.00 0.00 H new ATOM 1332 N PHE A 85 2.018 -8.235 -8.364 1.00 0.00 N ATOM 1333 CA PHE A 85 2.970 -8.227 -9.469 1.00 0.00 C ATOM 1334 C PHE A 85 3.136 -9.623 -10.063 1.00 0.00 C ATOM 1335 O PHE A 85 4.179 -9.945 -10.631 1.00 0.00 O ATOM 1336 CB PHE A 85 4.326 -7.697 -8.995 1.00 0.00 C ATOM 1337 CG PHE A 85 4.234 -6.404 -8.237 1.00 0.00 C ATOM 1338 CD1 PHE A 85 3.523 -5.331 -8.754 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.857 -6.260 -7.008 1.00 0.00 C ATOM 1340 CE1 PHE A 85 3.436 -4.141 -8.058 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.773 -5.072 -6.308 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.063 -4.010 -6.833 1.00 0.00 C ATOM 0 H PHE A 85 1.223 -7.609 -8.489 1.00 0.00 H new ATOM 0 HA PHE A 85 2.579 -7.570 -10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.799 -8.447 -8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.974 -7.556 -9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.032 -5.427 -9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.415 -7.086 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.878 -3.313 -8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.262 -4.974 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.998 -3.080 -6.288 1.00 0.00 H new ATOM 1352 N ASP A 86 2.101 -10.448 -9.927 1.00 0.00 N ATOM 1353 CA ASP A 86 2.133 -11.810 -10.452 1.00 0.00 C ATOM 1354 C ASP A 86 3.335 -12.580 -9.911 1.00 0.00 C ATOM 1355 O ASP A 86 3.867 -13.467 -10.578 1.00 0.00 O ATOM 1356 CB ASP A 86 2.174 -11.787 -11.982 1.00 0.00 C ATOM 1357 CG ASP A 86 1.317 -12.875 -12.600 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.146 -13.011 -12.191 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.819 -13.590 -13.492 1.00 0.00 O ATOM 0 H ASP A 86 1.231 -10.197 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 86 1.226 -12.318 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.833 -10.814 -12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.204 -11.906 -12.317 1.00 0.00 H new ATOM 1364 N ARG A 87 3.756 -12.235 -8.698 1.00 0.00 N ATOM 1365 CA ARG A 87 4.895 -12.897 -8.071 1.00 0.00 C ATOM 1366 C ARG A 87 4.728 -12.950 -6.555 1.00 0.00 C ATOM 1367 O ARG A 87 4.419 -14.000 -5.991 1.00 0.00 O ATOM 1368 CB ARG A 87 6.193 -12.171 -8.427 1.00 0.00 C ATOM 1369 CG ARG A 87 6.786 -12.604 -9.759 1.00 0.00 C ATOM 1370 CD ARG A 87 8.203 -12.081 -9.934 1.00 0.00 C ATOM 1371 NE ARG A 87 8.657 -12.186 -11.318 1.00 0.00 N ATOM 1372 CZ ARG A 87 9.097 -13.314 -11.871 1.00 0.00 C ATOM 1373 NH1 ARG A 87 9.145 -14.435 -11.161 1.00 0.00 N ATOM 1374 NH2 ARG A 87 9.490 -13.322 -13.137 1.00 0.00 N ATOM 0 H ARG A 87 3.327 -11.503 -8.131 1.00 0.00 H new ATOM 0 HA ARG A 87 4.942 -13.918 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.004 -11.098 -8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.925 -12.345 -7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.788 -13.692 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.159 -12.240 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.247 -11.039 -9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.879 -12.641 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 87 8.636 -11.345 -11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.844 -14.435 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.483 -15.296 -11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.455 -12.464 -13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.827 -14.186 -13.561 1.00 0.00 H new ATOM 1388 N ALA A 88 4.937 -11.812 -5.902 1.00 0.00 N ATOM 1389 CA ALA A 88 4.813 -11.729 -4.452 1.00 0.00 C ATOM 1390 C ALA A 88 3.400 -12.083 -3.999 1.00 0.00 C ATOM 1391 O ALA A 88 2.426 -11.812 -4.702 1.00 0.00 O ATOM 1392 CB ALA A 88 5.190 -10.336 -3.969 1.00 0.00 C ATOM 0 H ALA A 88 5.193 -10.934 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 88 5.499 -12.453 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.093 -10.288 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.220 -10.120 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.527 -9.601 -4.425 1.00 0.00 H new ATOM 1398 N LYS A 89 3.297 -12.687 -2.820 1.00 0.00 N ATOM 1399 CA LYS A 89 2.004 -13.078 -2.271 1.00 0.00 C ATOM 1400 C LYS A 89 1.844 -12.569 -0.842 1.00 0.00 C ATOM 1401 O LYS A 89 2.729 -12.749 -0.006 1.00 0.00 O ATOM 1402 CB LYS A 89 1.851 -14.600 -2.302 1.00 0.00 C ATOM 1403 CG LYS A 89 1.285 -15.126 -3.611 1.00 0.00 C ATOM 1404 CD LYS A 89 1.283 -16.646 -3.649 1.00 0.00 C ATOM 1405 CE LYS A 89 2.404 -17.183 -4.523 1.00 0.00 C ATOM 1406 NZ LYS A 89 2.072 -17.092 -5.971 1.00 0.00 N ATOM 0 H LYS A 89 4.094 -12.916 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 89 1.225 -12.629 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.824 -15.059 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.200 -14.909 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.268 -14.757 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.874 -14.741 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.391 -17.036 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.324 -17.000 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.318 -16.624 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.602 -18.222 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.586 -17.831 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.049 -17.224 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.349 -16.157 -6.333 1.00 0.00 H new ATOM 1420 N VAL A 90 0.710 -11.933 -0.570 1.00 0.00 N ATOM 1421 CA VAL A 90 0.434 -11.397 0.758 1.00 0.00 C ATOM 1422 C VAL A 90 -0.938 -11.843 1.255 1.00 0.00 C ATOM 1423 O VAL A 90 -1.867 -12.020 0.467 1.00 0.00 O ATOM 1424 CB VAL A 90 0.495 -9.858 0.766 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.356 -9.323 2.183 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.788 -9.369 0.130 1.00 0.00 C ATOM 0 H VAL A 90 -0.033 -11.776 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 90 1.204 -11.787 1.424 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.339 -9.479 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.402 -8.234 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.600 -9.640 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.167 -9.711 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.812 -8.279 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.639 -9.758 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.841 -9.718 -0.901 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.055 -12.022 2.566 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.314 -12.446 3.169 1.00 0.00 C ATOM 1438 C ASN A 91 -3.270 -11.267 3.311 1.00 0.00 C ATOM 1439 O ASN A 91 -2.948 -10.267 3.952 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.059 -13.080 4.539 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.279 -13.802 5.077 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.414 -13.456 4.752 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.048 -14.815 5.905 1.00 0.00 N ATOM 0 H ASN A 91 -0.295 -11.880 3.231 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.773 -13.187 2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.229 -13.782 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.758 -12.306 5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.829 -15.340 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.090 -15.067 6.147 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.448 -11.390 2.705 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.450 -10.333 2.763 1.00 0.00 C ATOM 1452 C VAL A 92 -6.048 -10.213 4.161 1.00 0.00 C ATOM 1453 O VAL A 92 -6.487 -9.137 4.569 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.586 -10.580 1.753 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.517 -9.380 1.690 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.017 -10.896 0.377 1.00 0.00 C ATOM 0 H VAL A 92 -4.731 -12.211 2.169 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.941 -9.404 2.509 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.165 -11.441 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.313 -9.574 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.952 -9.205 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.955 -8.499 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.834 -11.068 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.413 -10.057 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.396 -11.790 0.437 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.064 -11.324 4.891 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.612 -11.343 6.243 1.00 0.00 C ATOM 1468 C ASN A 93 -5.701 -10.596 7.214 1.00 0.00 C ATOM 1469 O ASN A 93 -6.165 -10.026 8.201 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.807 -12.784 6.717 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.004 -12.934 7.634 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.507 -11.955 8.184 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.467 -14.167 7.804 1.00 0.00 N ATOM 0 H ASN A 93 -5.704 -12.222 4.569 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.579 -10.840 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.932 -13.434 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.909 -13.117 7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.271 -14.331 8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.019 -14.950 7.328 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.403 -10.605 6.928 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.429 -9.930 7.780 1.00 0.00 C ATOM 1482 C LEU A 94 -3.001 -8.596 7.174 1.00 0.00 C ATOM 1483 O LEU A 94 -2.648 -7.662 7.894 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.206 -10.822 7.997 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.515 -12.236 8.490 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.253 -13.085 8.500 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -3.142 -12.191 9.876 1.00 0.00 C ATOM 0 H LEU A 94 -4.001 -11.071 6.115 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.902 -9.733 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.656 -10.893 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.546 -10.339 8.717 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.229 -12.692 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.492 -14.088 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.846 -13.144 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.515 -12.633 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.356 -13.206 10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.451 -11.716 10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.069 -11.619 9.838 1.00 0.00 H new ATOM 1499 N LEU A 95 -3.034 -8.514 5.848 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.648 -7.293 5.147 1.00 0.00 C ATOM 1501 C LEU A 95 -3.498 -6.110 5.601 1.00 0.00 C ATOM 1502 O LEU A 95 -2.985 -5.015 5.832 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.783 -7.482 3.635 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.467 -6.243 2.796 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -1.070 -5.729 3.109 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.602 -6.557 1.314 1.00 0.00 C ATOM 0 H LEU A 95 -3.324 -9.278 5.237 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.606 -7.082 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.121 -8.290 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.801 -7.802 3.414 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.184 -5.462 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.862 -4.847 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.007 -5.466 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.338 -6.505 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.374 -5.665 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.907 -7.353 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.622 -6.878 1.102 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.801 -6.339 5.729 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.723 -5.292 6.156 1.00 0.00 C ATOM 1520 C ILE A 96 -5.585 -5.017 7.649 1.00 0.00 C ATOM 1521 O ILE A 96 -5.783 -3.890 8.104 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.185 -5.670 5.848 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.324 -6.120 4.392 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.109 -4.495 6.134 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.575 -6.927 4.127 1.00 0.00 C ATOM 0 H ILE A 96 -5.242 -7.240 5.543 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.463 -4.393 5.597 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.472 -6.499 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.325 -5.241 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.453 -6.715 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.138 -4.778 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.029 -4.216 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.823 -3.647 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.608 -7.212 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.567 -7.824 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.453 -6.327 4.368 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.245 -6.055 8.408 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.082 -5.926 9.850 1.00 0.00 C ATOM 1539 C PHE A 97 -3.933 -4.980 10.187 1.00 0.00 C ATOM 1540 O PHE A 97 -4.066 -4.108 11.046 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.829 -7.298 10.480 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.946 -7.302 11.978 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.158 -7.029 12.592 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -3.843 -7.579 12.770 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -6.268 -7.033 13.969 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -3.949 -7.584 14.149 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.163 -7.311 14.748 1.00 0.00 C ATOM 0 H PHE A 97 -5.077 -6.994 8.047 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.003 -5.509 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.538 -8.015 10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.832 -7.639 10.201 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.026 -6.811 11.987 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.892 -7.793 12.306 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.218 -6.819 14.436 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.083 -7.801 14.757 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.248 -7.315 15.825 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.806 -5.158 9.506 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.635 -4.321 9.733 1.00 0.00 C ATOM 1559 C LEU A 98 -1.926 -2.867 9.376 1.00 0.00 C ATOM 1560 O LEU A 98 -1.681 -1.960 10.171 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.449 -4.830 8.913 1.00 0.00 C ATOM 1562 CG LEU A 98 0.902 -4.206 9.271 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.668 -5.104 10.230 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.720 -3.945 8.014 1.00 0.00 C ATOM 0 H LEU A 98 -2.679 -5.875 8.792 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.385 -4.374 10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.377 -5.910 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.650 -4.644 7.858 1.00 0.00 H new ATOM 0 HG LEU A 98 0.719 -3.252 9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.626 -4.644 10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.088 -5.239 11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.840 -6.073 9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.677 -3.501 8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.893 -4.885 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.177 -3.261 7.362 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.451 -2.652 8.173 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.775 -1.309 7.709 1.00 0.00 C ATOM 1578 C LEU A 99 -3.812 -0.653 8.616 1.00 0.00 C ATOM 1579 O LEU A 99 -3.834 0.568 8.768 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.296 -1.355 6.272 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.389 -2.082 5.278 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.185 -2.540 4.066 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.237 -1.184 4.853 1.00 0.00 C ATOM 0 H LEU A 99 -2.661 -3.392 7.503 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.863 -0.713 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.273 -1.839 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.447 -0.333 5.923 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.975 -2.963 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.523 -3.055 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.976 -3.219 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.628 -1.674 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.602 -1.717 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.632 -0.285 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.651 -0.905 5.729 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.669 -1.473 9.216 1.00 0.00 N ATOM 1596 CA ASN A 100 -5.709 -0.973 10.107 1.00 0.00 C ATOM 1597 C ASN A 100 -5.104 -0.229 11.295 1.00 0.00 C ATOM 1598 O ASN A 100 -5.734 0.659 11.869 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.583 -2.129 10.602 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.050 -1.921 10.283 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.887 -1.833 11.182 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.371 -1.843 8.997 1.00 0.00 N ATOM 0 H ASN A 100 -4.663 -2.486 9.101 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.327 -0.273 9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.243 -3.059 10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.460 -2.238 11.680 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.343 -1.705 8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.645 -1.921 8.285 1.00 0.00 H new ATOM 1609 N LYS A 101 -3.879 -0.596 11.659 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.195 0.038 12.780 1.00 0.00 C ATOM 1611 C LYS A 101 -2.029 0.900 12.297 1.00 0.00 C ATOM 1612 O LYS A 101 -1.656 1.874 12.949 1.00 0.00 O ATOM 1613 CB LYS A 101 -2.688 -1.022 13.760 1.00 0.00 C ATOM 1614 CG LYS A 101 -2.854 -0.630 15.219 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.036 -1.852 16.106 1.00 0.00 C ATOM 1616 CE LYS A 101 -1.788 -2.720 16.122 1.00 0.00 C ATOM 1617 NZ LYS A 101 -1.844 -3.759 17.187 1.00 0.00 N ATOM 0 H LYS A 101 -3.341 -1.328 11.195 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.911 0.683 13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.221 -1.956 13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.633 -1.214 13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.980 -0.067 15.548 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.716 0.029 15.324 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.272 -1.534 17.121 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.883 -2.438 15.750 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.669 -3.202 15.152 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.911 -2.091 16.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.974 -4.328 17.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.931 -3.300 18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.666 -4.376 17.027 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.458 0.532 11.155 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.334 1.271 10.592 1.00 0.00 C ATOM 1633 C LYS A 102 -0.786 2.617 10.030 1.00 0.00 C ATOM 1634 O LYS A 102 -0.593 3.658 10.657 1.00 0.00 O ATOM 1635 CB LYS A 102 0.347 0.450 9.495 1.00 0.00 C ATOM 1636 CG LYS A 102 1.230 -0.666 10.029 1.00 0.00 C ATOM 1637 CD LYS A 102 2.283 -0.134 10.989 1.00 0.00 C ATOM 1638 CE LYS A 102 3.664 -0.679 10.662 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.725 -0.037 11.489 1.00 0.00 N ATOM 0 H LYS A 102 -1.754 -0.272 10.602 1.00 0.00 H new ATOM 0 HA LYS A 102 0.380 1.457 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.417 0.019 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.950 1.115 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.614 -1.407 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.718 -1.174 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.301 0.955 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.016 -0.406 12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.677 -1.756 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.878 -0.515 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.547 -0.671 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.013 0.860 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.357 0.148 12.444 1.00 0.00 H new ATOM 1653 N PHE A 103 -1.385 2.588 8.843 1.00 0.00 N ATOM 1654 CA PHE A 103 -1.860 3.806 8.196 1.00 0.00 C ATOM 1655 C PHE A 103 -3.162 4.293 8.826 1.00 0.00 C ATOM 1656 O PHE A 103 -3.315 5.478 9.119 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.062 3.567 6.699 1.00 0.00 C ATOM 1658 CG PHE A 103 -0.780 3.339 5.949 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.082 4.405 5.405 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.275 2.059 5.789 1.00 0.00 C ATOM 1661 CE1 PHE A 103 1.097 4.199 4.714 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.904 1.847 5.100 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.591 2.918 4.561 1.00 0.00 C ATOM 0 H PHE A 103 -1.553 1.735 8.310 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.103 4.578 8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.712 2.703 6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.578 4.426 6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.464 5.408 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.808 1.218 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.631 5.038 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.288 0.845 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.512 2.754 4.021 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.096 3.370 9.031 1.00 0.00 N ATOM 1674 CA TYR A 104 -5.386 3.706 9.625 1.00 0.00 C ATOM 1675 C TYR A 104 -5.203 4.378 10.983 1.00 0.00 C ATOM 1676 O TYR A 104 -5.019 3.707 11.998 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.247 2.450 9.772 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.354 2.350 8.745 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -7.080 2.455 7.388 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.672 2.149 9.136 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -8.089 2.364 6.448 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -9.686 2.056 8.201 1.00 0.00 C ATOM 1683 CZ TYR A 104 -9.389 2.164 6.859 1.00 0.00 C ATOM 1684 OH TYR A 104 -10.397 2.073 5.925 1.00 0.00 O ATOM 0 H TYR A 104 -3.984 2.384 8.795 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.892 4.407 8.961 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.608 1.570 9.692 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.686 2.435 10.770 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.062 2.610 7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.908 2.064 10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.860 2.449 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -10.706 1.900 8.520 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.542 1.133 5.690 1.00 0.00 H new