USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 ASN : amide:sc= -0.0944 K(o=0.69,f=-0.8!) USER MOD Set 1.2: A 79 SER OG : rot -89:sc= 0.787 USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= -0.27 (180deg=-1.29!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.0935 (180deg=-0.72) USER MOD Single : A 13 GLN : amide:sc= -0.7! K(o=-0.7!,f=-2.8) USER MOD Single : A 14 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.13) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= 0.051 (180deg=-0.303) USER MOD Single : A 28 SER OG : rot 85:sc= 0.643 USER MOD Single : A 29 GLN : amide:sc= -0.0385 X(o=-0.039,f=-0.37) USER MOD Single : A 31 MET CE :methyl 160:sc= -0.0785 (180deg=-0.123) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.79) USER MOD Single : A 38 GLN : amide:sc= -7.74! K(o=-7.7!,f=-2.6) USER MOD Single : A 39 CYS SG : rot -45:sc= 0.329 USER MOD Single : A 44 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.049) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.11 K(o=-4.1,f=-2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 57 SER OG : rot 180:sc= -0.324 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.2!) USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= -2.17! (180deg=-2.19!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= 1.19 (180deg=-0.653) USER MOD Single : A 76 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.3!) USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= -0.0844 (180deg=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -1.25 (180deg=-3.45!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.7! K(o=-2.7!,f=-0.17) USER MOD Single : A 86 SER OG : rot 61:sc= 0.778 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 89 ASN : amide:sc= -6.61! C(o=-6.6!,f=-9.4!) USER MOD Single : A 92 ASN : amide:sc= -2.45! C(o=-2.4!,f=-6.9!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.559 8.942 -0.556 1.00 0.00 N ATOM 42 CA LYS A 3 -7.514 9.974 -0.065 1.00 0.00 C ATOM 43 C LYS A 3 -8.153 9.491 1.246 1.00 0.00 C ATOM 44 O LYS A 3 -8.180 10.210 2.226 1.00 0.00 O ATOM 45 CB LYS A 3 -8.598 10.229 -1.152 1.00 0.00 C ATOM 46 CG LYS A 3 -8.518 11.674 -1.686 1.00 0.00 C ATOM 47 CD LYS A 3 -7.232 11.869 -2.527 1.00 0.00 C ATOM 48 CE LYS A 3 -7.482 11.479 -3.990 1.00 0.00 C ATOM 49 NZ LYS A 3 -8.578 12.320 -4.549 1.00 0.00 N ATOM 0 HA LYS A 3 -6.991 10.910 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.466 9.526 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.588 10.047 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.395 11.892 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.525 12.377 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.909 12.908 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.426 11.262 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.572 11.614 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.749 10.424 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.411 12.478 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.489 11.835 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.600 13.235 -4.055 1.00 0.00 H new ATOM 63 N PHE A 4 -8.671 8.288 1.284 1.00 0.00 N ATOM 64 CA PHE A 4 -9.297 7.809 2.554 1.00 0.00 C ATOM 65 C PHE A 4 -8.211 7.505 3.585 1.00 0.00 C ATOM 66 O PHE A 4 -7.051 7.337 3.261 1.00 0.00 O ATOM 67 CB PHE A 4 -10.186 6.573 2.330 1.00 0.00 C ATOM 68 CG PHE A 4 -9.509 5.518 1.474 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.452 4.754 1.993 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.966 5.277 0.169 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.855 3.759 1.201 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.373 4.281 -0.614 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.317 3.524 -0.102 1.00 0.00 C ATOM 0 H PHE A 4 -8.688 7.628 0.506 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.941 8.605 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.450 6.139 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.117 6.880 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.099 4.931 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.779 5.863 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.038 3.174 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.732 4.097 -1.616 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.857 2.758 -0.709 1.00 0.00 H new ATOM 83 N THR A 5 -8.586 7.460 4.837 1.00 0.00 N ATOM 84 CA THR A 5 -7.601 7.201 5.933 1.00 0.00 C ATOM 85 C THR A 5 -7.524 5.713 6.241 1.00 0.00 C ATOM 86 O THR A 5 -8.401 4.937 5.909 1.00 0.00 O ATOM 87 CB THR A 5 -8.016 7.946 7.199 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.203 7.518 8.283 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.479 7.648 7.511 1.00 0.00 C ATOM 0 H THR A 5 -9.547 7.594 5.152 1.00 0.00 H new ATOM 0 HA THR A 5 -6.624 7.553 5.601 1.00 0.00 H new ATOM 0 HB THR A 5 -7.891 9.018 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.466 7.996 9.097 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.774 8.181 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.102 7.974 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.608 6.576 7.663 1.00 0.00 H new ATOM 97 N GLU A 6 -6.467 5.318 6.884 1.00 0.00 N ATOM 98 CA GLU A 6 -6.284 3.884 7.246 1.00 0.00 C ATOM 99 C GLU A 6 -7.577 3.338 7.862 1.00 0.00 C ATOM 100 O GLU A 6 -7.989 2.240 7.568 1.00 0.00 O ATOM 101 CB GLU A 6 -5.140 3.756 8.259 1.00 0.00 C ATOM 102 CG GLU A 6 -3.800 3.994 7.558 1.00 0.00 C ATOM 103 CD GLU A 6 -3.765 5.413 6.986 1.00 0.00 C ATOM 104 OE1 GLU A 6 -4.244 5.595 5.879 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.259 6.292 7.663 1.00 0.00 O ATOM 0 H GLU A 6 -5.710 5.934 7.180 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.043 3.313 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.273 4.478 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.153 2.765 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.980 3.855 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.661 3.265 6.759 1.00 0.00 H new ATOM 112 N GLU A 7 -8.226 4.098 8.708 1.00 0.00 N ATOM 113 CA GLU A 7 -9.496 3.606 9.330 1.00 0.00 C ATOM 114 C GLU A 7 -10.419 3.065 8.232 1.00 0.00 C ATOM 115 O GLU A 7 -11.104 2.069 8.403 1.00 0.00 O ATOM 116 CB GLU A 7 -10.196 4.755 10.065 1.00 0.00 C ATOM 117 CG GLU A 7 -9.199 5.477 10.978 1.00 0.00 C ATOM 118 CD GLU A 7 -8.581 4.479 11.957 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.308 3.977 12.798 1.00 0.00 O ATOM 120 OE2 GLU A 7 -7.390 4.234 11.851 1.00 0.00 O ATOM 0 H GLU A 7 -7.935 5.033 8.994 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.266 2.814 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.616 5.457 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.027 4.368 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.418 5.946 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.703 6.273 11.525 1.00 0.00 H new ATOM 127 N GLU A 8 -10.429 3.701 7.094 1.00 0.00 N ATOM 128 CA GLU A 8 -11.284 3.220 5.987 1.00 0.00 C ATOM 129 C GLU A 8 -10.750 1.874 5.514 1.00 0.00 C ATOM 130 O GLU A 8 -11.487 0.922 5.368 1.00 0.00 O ATOM 131 CB GLU A 8 -11.213 4.225 4.847 1.00 0.00 C ATOM 132 CG GLU A 8 -12.285 3.915 3.803 1.00 0.00 C ATOM 133 CD GLU A 8 -13.668 4.241 4.370 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.998 5.414 4.435 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.373 3.313 4.731 1.00 0.00 O ATOM 0 H GLU A 8 -9.879 4.535 6.888 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.317 3.112 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.352 5.235 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.226 4.194 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.105 4.498 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.236 2.864 3.519 1.00 0.00 H new ATOM 142 N ASP A 9 -9.461 1.798 5.281 1.00 0.00 N ATOM 143 CA ASP A 9 -8.848 0.512 4.812 1.00 0.00 C ATOM 144 C ASP A 9 -9.394 -0.650 5.648 1.00 0.00 C ATOM 145 O ASP A 9 -9.499 -1.771 5.187 1.00 0.00 O ATOM 146 CB ASP A 9 -7.325 0.575 4.968 1.00 0.00 C ATOM 147 CG ASP A 9 -6.711 -0.768 4.560 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.664 -1.653 5.398 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.299 -0.887 3.420 1.00 0.00 O ATOM 0 H ASP A 9 -8.806 2.571 5.395 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.098 0.359 3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.919 1.375 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.064 0.807 6.001 1.00 0.00 H new ATOM 154 N LEU A 10 -9.760 -0.382 6.870 1.00 0.00 N ATOM 155 CA LEU A 10 -10.319 -1.459 7.735 1.00 0.00 C ATOM 156 C LEU A 10 -11.754 -1.730 7.281 1.00 0.00 C ATOM 157 O LEU A 10 -12.205 -2.858 7.228 1.00 0.00 O ATOM 158 CB LEU A 10 -10.304 -1.016 9.214 1.00 0.00 C ATOM 159 CG LEU A 10 -9.083 -0.134 9.481 1.00 0.00 C ATOM 160 CD1 LEU A 10 -9.036 0.236 10.964 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.799 -0.879 9.095 1.00 0.00 C ATOM 0 H LEU A 10 -9.696 0.537 7.308 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.717 -2.364 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.217 -0.469 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.281 -1.890 9.864 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.160 0.772 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.166 0.864 11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.942 0.779 11.232 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.966 -0.672 11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.936 -0.242 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.716 -1.792 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.831 -1.134 8.036 1.00 0.00 H new ATOM 173 N LYS A 11 -12.470 -0.692 6.938 1.00 0.00 N ATOM 174 CA LYS A 11 -13.869 -0.886 6.473 1.00 0.00 C ATOM 175 C LYS A 11 -13.842 -1.774 5.232 1.00 0.00 C ATOM 176 O LYS A 11 -14.742 -2.554 4.991 1.00 0.00 O ATOM 177 CB LYS A 11 -14.495 0.470 6.120 1.00 0.00 C ATOM 178 CG LYS A 11 -14.367 1.443 7.304 1.00 0.00 C ATOM 179 CD LYS A 11 -15.296 1.019 8.453 1.00 0.00 C ATOM 180 CE LYS A 11 -15.441 2.172 9.450 1.00 0.00 C ATOM 181 NZ LYS A 11 -16.181 3.296 8.807 1.00 0.00 N ATOM 0 H LYS A 11 -12.147 0.275 6.960 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.462 -1.352 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.002 0.888 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.546 0.337 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.335 1.466 7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.617 2.453 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.274 0.740 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.892 0.140 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.973 1.833 10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.458 2.510 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.673 3.851 9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.510 3.908 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.877 2.914 8.135 1.00 0.00 H new ATOM 195 N LEU A 12 -12.806 -1.671 4.448 1.00 0.00 N ATOM 196 CA LEU A 12 -12.708 -2.511 3.231 1.00 0.00 C ATOM 197 C LEU A 12 -12.562 -3.970 3.644 1.00 0.00 C ATOM 198 O LEU A 12 -13.227 -4.830 3.133 1.00 0.00 O ATOM 199 CB LEU A 12 -11.489 -2.082 2.414 1.00 0.00 C ATOM 200 CG LEU A 12 -11.443 -0.556 2.311 1.00 0.00 C ATOM 201 CD1 LEU A 12 -10.269 -0.143 1.416 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.762 -0.030 1.725 1.00 0.00 C ATOM 0 H LEU A 12 -12.022 -1.037 4.602 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.606 -2.391 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.577 -2.451 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.535 -2.521 1.418 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.307 -0.129 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.234 0.944 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.337 -0.507 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.401 -0.571 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.721 1.057 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.913 -0.452 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.589 -0.321 2.372 1.00 0.00 H new ATOM 214 N GLN A 13 -11.706 -4.268 4.575 1.00 0.00 N ATOM 215 CA GLN A 13 -11.550 -5.697 4.981 1.00 0.00 C ATOM 216 C GLN A 13 -12.934 -6.271 5.323 1.00 0.00 C ATOM 217 O GLN A 13 -13.224 -7.421 5.066 1.00 0.00 O ATOM 218 CB GLN A 13 -10.627 -5.766 6.210 1.00 0.00 C ATOM 219 CG GLN A 13 -10.602 -7.184 6.801 1.00 0.00 C ATOM 220 CD GLN A 13 -10.275 -8.203 5.709 1.00 0.00 C ATOM 221 OE1 GLN A 13 -9.125 -8.418 5.384 1.00 0.00 O ATOM 222 NE2 GLN A 13 -11.248 -8.847 5.127 1.00 0.00 N ATOM 0 H GLN A 13 -11.114 -3.600 5.069 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.112 -6.279 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.617 -5.468 5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.969 -5.059 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.860 -7.242 7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.568 -7.417 7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.214 -8.667 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.043 -9.531 4.399 1.00 0.00 H new ATOM 231 N GLN A 14 -13.799 -5.472 5.877 1.00 0.00 N ATOM 232 CA GLN A 14 -15.167 -5.973 6.220 1.00 0.00 C ATOM 233 C GLN A 14 -16.084 -5.962 4.992 1.00 0.00 C ATOM 234 O GLN A 14 -16.641 -6.971 4.614 1.00 0.00 O ATOM 235 CB GLN A 14 -15.786 -5.076 7.280 1.00 0.00 C ATOM 236 CG GLN A 14 -14.853 -4.976 8.489 1.00 0.00 C ATOM 237 CD GLN A 14 -14.719 -6.351 9.147 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.447 -6.672 10.065 1.00 0.00 O ATOM 239 NE2 GLN A 14 -13.813 -7.183 8.713 1.00 0.00 N ATOM 0 H GLN A 14 -13.624 -4.494 6.109 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.067 -6.995 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.968 -4.084 6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.752 -5.476 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.874 -4.614 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.246 -4.255 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.201 -6.914 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.716 -8.102 9.144 1.00 0.00 H new ATOM 248 N LEU A 15 -16.274 -4.827 4.378 1.00 0.00 N ATOM 249 CA LEU A 15 -17.178 -4.774 3.196 1.00 0.00 C ATOM 250 C LEU A 15 -16.640 -5.726 2.126 1.00 0.00 C ATOM 251 O LEU A 15 -17.350 -6.563 1.608 1.00 0.00 O ATOM 252 CB LEU A 15 -17.239 -3.327 2.657 1.00 0.00 C ATOM 253 CG LEU A 15 -18.341 -2.533 3.381 1.00 0.00 C ATOM 254 CD1 LEU A 15 -18.020 -2.438 4.874 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.426 -1.122 2.788 1.00 0.00 C ATOM 0 H LEU A 15 -15.845 -3.940 4.642 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.186 -5.080 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.275 -2.838 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.435 -3.339 1.585 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.295 -3.044 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.804 -1.875 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.962 -3.440 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.065 -1.931 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.206 -0.559 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.469 -0.615 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.663 -1.187 1.726 1.00 0.00 H new ATOM 267 N VAL A 16 -15.385 -5.613 1.806 1.00 0.00 N ATOM 268 CA VAL A 16 -14.789 -6.514 0.787 1.00 0.00 C ATOM 269 C VAL A 16 -15.038 -7.962 1.197 1.00 0.00 C ATOM 270 O VAL A 16 -15.260 -8.817 0.364 1.00 0.00 O ATOM 271 CB VAL A 16 -13.285 -6.261 0.686 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.691 -7.143 -0.410 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.037 -4.787 0.342 1.00 0.00 C ATOM 0 H VAL A 16 -14.742 -4.931 2.209 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.247 -6.321 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.813 -6.498 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.619 -6.962 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.867 -8.191 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.163 -6.906 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.965 -4.606 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.510 -4.551 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.460 -4.155 1.123 1.00 0.00 H new ATOM 283 N MET A 17 -15.020 -8.254 2.473 1.00 0.00 N ATOM 284 CA MET A 17 -15.278 -9.648 2.895 1.00 0.00 C ATOM 285 C MET A 17 -16.732 -9.991 2.565 1.00 0.00 C ATOM 286 O MET A 17 -17.062 -11.124 2.274 1.00 0.00 O ATOM 287 CB MET A 17 -15.023 -9.779 4.399 1.00 0.00 C ATOM 288 CG MET A 17 -15.422 -11.176 4.868 1.00 0.00 C ATOM 289 SD MET A 17 -14.796 -11.454 6.543 1.00 0.00 S ATOM 290 CE MET A 17 -14.927 -13.259 6.537 1.00 0.00 C ATOM 0 H MET A 17 -14.839 -7.591 3.227 1.00 0.00 H new ATOM 0 HA MET A 17 -14.615 -10.336 2.371 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.970 -9.599 4.616 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.594 -9.026 4.942 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.507 -11.280 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.020 -11.928 4.189 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.586 -13.652 7.495 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.966 -13.548 6.376 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.309 -13.666 5.737 1.00 0.00 H new ATOM 300 N ARG A 18 -17.607 -9.016 2.601 1.00 0.00 N ATOM 301 CA ARG A 18 -19.041 -9.281 2.283 1.00 0.00 C ATOM 302 C ARG A 18 -19.243 -9.314 0.762 1.00 0.00 C ATOM 303 O ARG A 18 -20.055 -10.062 0.254 1.00 0.00 O ATOM 304 CB ARG A 18 -19.906 -8.171 2.885 1.00 0.00 C ATOM 305 CG ARG A 18 -21.384 -8.536 2.737 1.00 0.00 C ATOM 306 CD ARG A 18 -22.240 -7.506 3.474 1.00 0.00 C ATOM 307 NE ARG A 18 -21.873 -7.495 4.918 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.412 -6.621 5.724 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.273 -5.754 5.265 1.00 0.00 N ATOM 310 NH2 ARG A 18 -22.089 -6.613 6.987 1.00 0.00 N ATOM 0 H ARG A 18 -17.388 -8.048 2.837 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.330 -10.244 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.658 -8.033 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.703 -7.225 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.659 -8.565 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.566 -9.532 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.089 -6.517 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.297 -7.747 3.358 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.199 -8.172 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.525 -5.759 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.694 -5.071 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.415 -7.290 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -22.510 -5.930 7.617 1.00 0.00 H new ATOM 324 N TYR A 19 -18.517 -8.502 0.028 1.00 0.00 N ATOM 325 CA TYR A 19 -18.669 -8.480 -1.463 1.00 0.00 C ATOM 326 C TYR A 19 -17.611 -9.380 -2.100 1.00 0.00 C ATOM 327 O TYR A 19 -17.600 -9.594 -3.296 1.00 0.00 O ATOM 328 CB TYR A 19 -18.479 -7.047 -1.967 1.00 0.00 C ATOM 329 CG TYR A 19 -19.495 -6.145 -1.299 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.852 -6.275 -1.615 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.088 -5.192 -0.353 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.800 -5.459 -0.988 1.00 0.00 C ATOM 333 CE2 TYR A 19 -20.037 -4.375 0.270 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.393 -4.509 -0.046 1.00 0.00 C ATOM 335 OH TYR A 19 -22.328 -3.704 0.573 1.00 0.00 O ATOM 0 H TYR A 19 -17.824 -7.852 0.399 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.662 -8.840 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.469 -6.702 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.599 -7.011 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.168 -7.006 -2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.042 -5.089 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.847 -5.563 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.722 -3.640 0.996 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.877 -3.101 1.200 1.00 0.00 H new ATOM 345 N GLY A 20 -16.716 -9.906 -1.309 1.00 0.00 N ATOM 346 CA GLY A 20 -15.649 -10.789 -1.856 1.00 0.00 C ATOM 347 C GLY A 20 -14.504 -9.923 -2.376 1.00 0.00 C ATOM 348 O GLY A 20 -13.436 -9.894 -1.803 1.00 0.00 O ATOM 0 H GLY A 20 -16.679 -9.760 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.287 -11.466 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.048 -11.408 -2.660 1.00 0.00 H new ATOM 352 N ALA A 21 -14.744 -9.214 -3.455 1.00 0.00 N ATOM 353 CA ALA A 21 -13.707 -8.314 -4.069 1.00 0.00 C ATOM 354 C ALA A 21 -14.043 -8.105 -5.555 1.00 0.00 C ATOM 355 O ALA A 21 -13.206 -8.266 -6.422 1.00 0.00 O ATOM 356 CB ALA A 21 -12.295 -8.931 -3.934 1.00 0.00 C ATOM 0 H ALA A 21 -15.636 -9.220 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.712 -7.358 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.561 -8.263 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.058 -9.071 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.269 -9.895 -4.443 1.00 0.00 H new ATOM 362 N LYS A 22 -15.263 -7.752 -5.865 1.00 0.00 N ATOM 363 CA LYS A 22 -15.630 -7.543 -7.305 1.00 0.00 C ATOM 364 C LYS A 22 -16.794 -6.548 -7.453 1.00 0.00 C ATOM 365 O LYS A 22 -17.146 -6.177 -8.555 1.00 0.00 O ATOM 366 CB LYS A 22 -16.022 -8.885 -7.920 1.00 0.00 C ATOM 367 CG LYS A 22 -17.296 -9.412 -7.249 1.00 0.00 C ATOM 368 CD LYS A 22 -17.527 -10.868 -7.661 1.00 0.00 C ATOM 369 CE LYS A 22 -18.763 -11.411 -6.942 1.00 0.00 C ATOM 370 NZ LYS A 22 -19.968 -10.655 -7.384 1.00 0.00 N ATOM 0 H LYS A 22 -16.017 -7.600 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.766 -7.126 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.185 -8.770 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.211 -9.603 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.205 -9.340 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.151 -8.801 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.662 -10.935 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.654 -11.471 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.886 -12.472 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.639 -11.319 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.825 -11.155 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.953 -9.703 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.969 -10.578 -8.421 1.00 0.00 H new ATOM 384 N ASP A 23 -17.384 -6.098 -6.366 1.00 0.00 N ATOM 385 CA ASP A 23 -18.513 -5.110 -6.456 1.00 0.00 C ATOM 386 C ASP A 23 -18.001 -3.758 -5.964 1.00 0.00 C ATOM 387 O ASP A 23 -18.614 -3.106 -5.142 1.00 0.00 O ATOM 388 CB ASP A 23 -19.675 -5.576 -5.570 1.00 0.00 C ATOM 389 CG ASP A 23 -19.922 -7.069 -5.797 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.014 -7.467 -6.946 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.015 -7.789 -4.816 1.00 0.00 O ATOM 0 H ASP A 23 -17.131 -6.374 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.865 -5.029 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.444 -5.390 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.575 -5.008 -5.804 1.00 0.00 H new ATOM 396 N TRP A 24 -16.871 -3.344 -6.459 1.00 0.00 N ATOM 397 CA TRP A 24 -16.294 -2.045 -6.025 1.00 0.00 C ATOM 398 C TRP A 24 -17.221 -0.908 -6.437 1.00 0.00 C ATOM 399 O TRP A 24 -17.286 0.114 -5.788 1.00 0.00 O ATOM 400 CB TRP A 24 -14.917 -1.876 -6.669 1.00 0.00 C ATOM 401 CG TRP A 24 -14.043 -2.969 -6.169 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.752 -4.112 -6.831 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.365 -3.046 -4.894 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.932 -4.890 -6.034 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.665 -4.271 -4.825 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.296 -2.170 -3.801 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.917 -4.614 -3.698 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.548 -2.508 -2.669 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.860 -3.726 -2.615 1.00 0.00 C ATOM 0 H TRP A 24 -16.319 -3.853 -7.150 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.188 -2.026 -4.940 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.996 -1.917 -7.755 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.494 -0.903 -6.417 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.102 -4.374 -7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.570 -5.805 -6.303 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.824 -1.228 -3.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.387 -5.554 -3.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.501 -1.826 -1.833 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.284 -3.982 -1.738 1.00 0.00 H new ATOM 420 N ILE A 25 -17.950 -1.078 -7.501 1.00 0.00 N ATOM 421 CA ILE A 25 -18.880 -0.011 -7.927 1.00 0.00 C ATOM 422 C ILE A 25 -19.937 0.139 -6.841 1.00 0.00 C ATOM 423 O ILE A 25 -20.451 1.209 -6.596 1.00 0.00 O ATOM 424 CB ILE A 25 -19.545 -0.404 -9.254 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.967 -1.876 -9.206 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.556 -0.202 -10.405 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.845 -2.194 -10.419 1.00 0.00 C ATOM 0 H ILE A 25 -17.939 -1.910 -8.091 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.348 0.929 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.423 0.222 -9.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.086 -2.518 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.513 -2.079 -8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.030 -0.482 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.256 0.845 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.677 -0.825 -10.243 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.146 -3.241 -10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.732 -1.561 -10.402 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.283 -2.007 -11.334 1.00 0.00 H new ATOM 439 N ARG A 26 -20.250 -0.938 -6.173 1.00 0.00 N ATOM 440 CA ARG A 26 -21.259 -0.876 -5.090 1.00 0.00 C ATOM 441 C ARG A 26 -20.588 -0.311 -3.845 1.00 0.00 C ATOM 442 O ARG A 26 -21.039 0.651 -3.260 1.00 0.00 O ATOM 443 CB ARG A 26 -21.794 -2.284 -4.806 1.00 0.00 C ATOM 444 CG ARG A 26 -23.035 -2.194 -3.912 1.00 0.00 C ATOM 445 CD ARG A 26 -23.656 -3.585 -3.759 1.00 0.00 C ATOM 446 NE ARG A 26 -24.976 -3.467 -3.076 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.029 -3.168 -1.806 1.00 0.00 C ATOM 448 NH1 ARG A 26 -23.929 -2.970 -1.134 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.186 -3.067 -1.210 1.00 0.00 N ATOM 0 H ARG A 26 -19.845 -1.860 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.094 -0.239 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.043 -2.784 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.026 -2.884 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -22.764 -1.796 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.760 -1.506 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -23.781 -4.049 -4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.993 -4.230 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.837 -3.620 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.025 -3.049 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -23.972 -2.737 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -27.046 -3.222 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.230 -2.834 -0.218 1.00 0.00 H new ATOM 463 N ILE A 27 -19.499 -0.898 -3.437 1.00 0.00 N ATOM 464 CA ILE A 27 -18.793 -0.385 -2.239 1.00 0.00 C ATOM 465 C ILE A 27 -18.499 1.103 -2.422 1.00 0.00 C ATOM 466 O ILE A 27 -18.473 1.866 -1.476 1.00 0.00 O ATOM 467 CB ILE A 27 -17.475 -1.138 -2.065 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.770 -2.627 -1.892 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.742 -0.608 -0.829 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.466 -3.426 -1.970 1.00 0.00 C ATOM 0 H ILE A 27 -19.070 -1.709 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.419 -0.531 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.846 -0.990 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.257 -2.802 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.460 -2.963 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.802 -1.145 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.538 0.455 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.364 -0.756 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.682 -4.487 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.996 -3.262 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.791 -3.098 -1.180 1.00 0.00 H new ATOM 482 N SER A 28 -18.270 1.516 -3.637 1.00 0.00 N ATOM 483 CA SER A 28 -17.971 2.948 -3.896 1.00 0.00 C ATOM 484 C SER A 28 -19.254 3.766 -3.763 1.00 0.00 C ATOM 485 O SER A 28 -19.228 4.918 -3.380 1.00 0.00 O ATOM 486 CB SER A 28 -17.402 3.097 -5.307 1.00 0.00 C ATOM 487 OG SER A 28 -16.082 2.570 -5.336 1.00 0.00 O ATOM 0 H SER A 28 -18.278 0.919 -4.464 1.00 0.00 H new ATOM 0 HA SER A 28 -17.240 3.310 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.032 2.571 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.394 4.147 -5.600 1.00 0.00 H new ATOM 0 HG SER A 28 -16.119 1.603 -5.493 1.00 0.00 H new ATOM 493 N GLN A 29 -20.382 3.183 -4.065 1.00 0.00 N ATOM 494 CA GLN A 29 -21.657 3.950 -3.940 1.00 0.00 C ATOM 495 C GLN A 29 -21.855 4.323 -2.470 1.00 0.00 C ATOM 496 O GLN A 29 -22.353 5.384 -2.149 1.00 0.00 O ATOM 497 CB GLN A 29 -22.836 3.094 -4.435 1.00 0.00 C ATOM 498 CG GLN A 29 -22.872 3.089 -5.977 1.00 0.00 C ATOM 499 CD GLN A 29 -23.568 4.354 -6.492 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.652 4.687 -6.055 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.984 5.077 -7.409 1.00 0.00 N ATOM 0 H GLN A 29 -20.478 2.221 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.611 4.854 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.738 2.075 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.773 3.489 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.857 3.036 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.399 2.204 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -22.074 4.798 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -23.438 5.921 -7.758 1.00 0.00 H new ATOM 510 N LEU A 30 -21.447 3.466 -1.576 1.00 0.00 N ATOM 511 CA LEU A 30 -21.590 3.778 -0.129 1.00 0.00 C ATOM 512 C LEU A 30 -20.544 4.831 0.243 1.00 0.00 C ATOM 513 O LEU A 30 -20.796 5.729 1.022 1.00 0.00 O ATOM 514 CB LEU A 30 -21.364 2.501 0.698 1.00 0.00 C ATOM 515 CG LEU A 30 -22.026 1.307 0.003 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.891 0.070 0.890 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.511 1.605 -0.240 1.00 0.00 C ATOM 0 H LEU A 30 -21.021 2.563 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.590 4.158 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.296 2.318 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.779 2.627 1.698 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.537 1.128 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.361 -0.782 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.835 -0.144 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.380 0.253 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.977 0.753 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.006 1.787 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.606 2.488 -0.872 1.00 0.00 H new ATOM 529 N MET A 31 -19.368 4.716 -0.329 1.00 0.00 N ATOM 530 CA MET A 31 -18.262 5.691 -0.050 1.00 0.00 C ATOM 531 C MET A 31 -17.797 6.316 -1.367 1.00 0.00 C ATOM 532 O MET A 31 -16.649 6.199 -1.750 1.00 0.00 O ATOM 533 CB MET A 31 -17.091 4.951 0.601 1.00 0.00 C ATOM 534 CG MET A 31 -17.560 4.295 1.900 1.00 0.00 C ATOM 535 SD MET A 31 -16.203 3.332 2.614 1.00 0.00 S ATOM 536 CE MET A 31 -17.161 2.525 3.920 1.00 0.00 C ATOM 0 H MET A 31 -19.123 3.977 -0.988 1.00 0.00 H new ATOM 0 HA MET A 31 -18.620 6.473 0.620 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.701 4.195 -0.080 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.277 5.646 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.890 5.057 2.606 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.416 3.649 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.634 1.634 4.260 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.288 3.213 4.756 1.00 0.00 H new ATOM 0 HE3 MET A 31 -18.139 2.241 3.531 1.00 0.00 H new ATOM 546 N ILE A 32 -18.679 6.986 -2.061 1.00 0.00 N ATOM 547 CA ILE A 32 -18.293 7.627 -3.352 1.00 0.00 C ATOM 548 C ILE A 32 -17.058 8.503 -3.135 1.00 0.00 C ATOM 549 O ILE A 32 -16.436 8.965 -4.070 1.00 0.00 O ATOM 550 CB ILE A 32 -19.453 8.496 -3.841 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.958 9.357 -2.680 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.591 7.603 -4.341 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.947 10.394 -3.205 1.00 0.00 C ATOM 0 H ILE A 32 -19.653 7.117 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.067 6.860 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.111 9.135 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.438 8.729 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.120 9.854 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.416 8.225 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.233 6.983 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.936 6.964 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.306 11.006 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.452 11.030 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.791 9.888 -3.674 1.00 0.00 H new ATOM 565 N THR A 33 -16.703 8.737 -1.902 1.00 0.00 N ATOM 566 CA THR A 33 -15.513 9.584 -1.605 1.00 0.00 C ATOM 567 C THR A 33 -14.310 9.098 -2.418 1.00 0.00 C ATOM 568 O THR A 33 -13.289 9.754 -2.482 1.00 0.00 O ATOM 569 CB THR A 33 -15.191 9.495 -0.109 1.00 0.00 C ATOM 570 OG1 THR A 33 -16.354 9.818 0.641 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.068 10.475 0.245 1.00 0.00 C ATOM 0 H THR A 33 -17.189 8.375 -1.082 1.00 0.00 H new ATOM 0 HA THR A 33 -15.729 10.618 -1.874 1.00 0.00 H new ATOM 0 HB THR A 33 -14.867 8.482 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.152 9.760 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.846 10.405 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.175 10.228 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.383 11.491 0.006 1.00 0.00 H new ATOM 579 N ARG A 34 -14.416 7.954 -3.048 1.00 0.00 N ATOM 580 CA ARG A 34 -13.269 7.435 -3.859 1.00 0.00 C ATOM 581 C ARG A 34 -13.800 6.551 -4.996 1.00 0.00 C ATOM 582 O ARG A 34 -14.922 6.088 -4.963 1.00 0.00 O ATOM 583 CB ARG A 34 -12.329 6.615 -2.948 1.00 0.00 C ATOM 584 CG ARG A 34 -10.894 6.594 -3.529 1.00 0.00 C ATOM 585 CD ARG A 34 -10.104 7.820 -3.056 1.00 0.00 C ATOM 586 NE ARG A 34 -8.705 7.728 -3.564 1.00 0.00 N ATOM 587 CZ ARG A 34 -8.440 8.004 -4.813 1.00 0.00 C ATOM 588 NH1 ARG A 34 -9.400 8.370 -5.617 1.00 0.00 N ATOM 589 NH2 ARG A 34 -7.216 7.919 -5.254 1.00 0.00 N ATOM 0 H ARG A 34 -15.244 7.358 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.716 8.270 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.316 7.046 -1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.704 5.596 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.383 5.683 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.937 6.580 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.576 8.733 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.106 7.871 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.953 7.449 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.357 8.440 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.194 8.586 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.465 7.637 -4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.009 8.135 -6.229 1.00 0.00 H new ATOM 603 N ASN A 35 -12.996 6.315 -6.004 1.00 0.00 N ATOM 604 CA ASN A 35 -13.447 5.459 -7.146 1.00 0.00 C ATOM 605 C ASN A 35 -13.251 3.980 -6.771 1.00 0.00 C ATOM 606 O ASN A 35 -12.512 3.659 -5.863 1.00 0.00 O ATOM 607 CB ASN A 35 -12.617 5.828 -8.409 1.00 0.00 C ATOM 608 CG ASN A 35 -13.473 6.624 -9.408 1.00 0.00 C ATOM 609 OD1 ASN A 35 -14.342 7.378 -9.017 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.259 6.483 -10.688 1.00 0.00 N ATOM 0 H ASN A 35 -12.046 6.678 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.503 5.626 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.746 6.416 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.245 4.920 -8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.821 7.006 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.530 5.850 -11.016 1.00 0.00 H new ATOM 617 N PRO A 36 -13.921 3.087 -7.460 1.00 0.00 N ATOM 618 CA PRO A 36 -13.821 1.623 -7.181 1.00 0.00 C ATOM 619 C PRO A 36 -12.388 1.091 -7.339 1.00 0.00 C ATOM 620 O PRO A 36 -11.831 0.503 -6.433 1.00 0.00 O ATOM 621 CB PRO A 36 -14.773 0.979 -8.218 1.00 0.00 C ATOM 622 CG PRO A 36 -14.974 2.017 -9.279 1.00 0.00 C ATOM 623 CD PRO A 36 -14.847 3.367 -8.574 1.00 0.00 C ATOM 0 HA PRO A 36 -14.090 1.389 -6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.340 0.070 -8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.721 0.699 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.230 1.917 -10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.952 1.912 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.452 4.133 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.812 3.724 -8.214 1.00 0.00 H new ATOM 631 N ARG A 37 -11.794 1.285 -8.483 1.00 0.00 N ATOM 632 CA ARG A 37 -10.408 0.783 -8.699 1.00 0.00 C ATOM 633 C ARG A 37 -9.485 1.314 -7.601 1.00 0.00 C ATOM 634 O ARG A 37 -8.486 0.709 -7.271 1.00 0.00 O ATOM 635 CB ARG A 37 -9.904 1.260 -10.063 1.00 0.00 C ATOM 636 CG ARG A 37 -10.784 0.673 -11.168 1.00 0.00 C ATOM 637 CD ARG A 37 -10.271 1.139 -12.532 1.00 0.00 C ATOM 638 NE ARG A 37 -11.258 0.772 -13.586 1.00 0.00 N ATOM 639 CZ ARG A 37 -11.409 -0.477 -13.934 1.00 0.00 C ATOM 640 NH1 ARG A 37 -10.695 -1.406 -13.359 1.00 0.00 N ATOM 641 NH2 ARG A 37 -12.275 -0.797 -14.856 1.00 0.00 N ATOM 0 H ARG A 37 -12.209 1.770 -9.279 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.411 -0.307 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.923 2.349 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.868 0.953 -10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.773 -0.416 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.818 0.988 -11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.115 2.218 -12.525 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.306 0.679 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.816 1.497 -14.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.019 -1.156 -12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.813 -2.382 -13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.834 -0.071 -15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.393 -1.773 -15.128 1.00 0.00 H new ATOM 655 N GLN A 38 -9.801 2.449 -7.044 1.00 0.00 N ATOM 656 CA GLN A 38 -8.932 3.026 -5.981 1.00 0.00 C ATOM 657 C GLN A 38 -8.988 2.165 -4.715 1.00 0.00 C ATOM 658 O GLN A 38 -7.968 1.814 -4.159 1.00 0.00 O ATOM 659 CB GLN A 38 -9.401 4.442 -5.648 1.00 0.00 C ATOM 660 CG GLN A 38 -9.503 5.271 -6.932 1.00 0.00 C ATOM 661 CD GLN A 38 -8.115 5.440 -7.551 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.599 4.534 -8.176 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.490 6.574 -7.409 1.00 0.00 N ATOM 0 H GLN A 38 -10.625 3.003 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.906 3.051 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.370 4.406 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.703 4.912 -4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.170 4.780 -7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.935 6.247 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.924 7.333 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.566 6.703 -7.823 1.00 0.00 H new ATOM 672 N CYS A 39 -10.160 1.817 -4.248 1.00 0.00 N ATOM 673 CA CYS A 39 -10.232 0.983 -3.023 1.00 0.00 C ATOM 674 C CYS A 39 -9.775 -0.427 -3.364 1.00 0.00 C ATOM 675 O CYS A 39 -9.231 -1.132 -2.538 1.00 0.00 O ATOM 676 CB CYS A 39 -11.668 0.945 -2.513 1.00 0.00 C ATOM 677 SG CYS A 39 -12.258 2.634 -2.234 1.00 0.00 S ATOM 0 H CYS A 39 -11.057 2.073 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.590 1.405 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.308 0.440 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.721 0.373 -1.587 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.348 3.313 -1.601 1.00 0.00 H new ATOM 683 N ARG A 40 -9.985 -0.848 -4.582 1.00 0.00 N ATOM 684 CA ARG A 40 -9.550 -2.213 -4.962 1.00 0.00 C ATOM 685 C ARG A 40 -8.034 -2.299 -4.834 1.00 0.00 C ATOM 686 O ARG A 40 -7.503 -3.211 -4.234 1.00 0.00 O ATOM 687 CB ARG A 40 -9.961 -2.525 -6.400 1.00 0.00 C ATOM 688 CG ARG A 40 -9.470 -3.931 -6.770 1.00 0.00 C ATOM 689 CD ARG A 40 -10.114 -4.367 -8.083 1.00 0.00 C ATOM 690 NE ARG A 40 -9.637 -5.733 -8.441 1.00 0.00 N ATOM 691 CZ ARG A 40 -8.418 -5.907 -8.873 1.00 0.00 C ATOM 692 NH1 ARG A 40 -7.614 -4.885 -8.993 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.002 -7.104 -9.186 1.00 0.00 N ATOM 0 H ARG A 40 -10.435 -0.308 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.025 -2.939 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.045 -2.466 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.536 -1.787 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.384 -3.935 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.722 -4.636 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.200 -4.363 -7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.862 -3.663 -8.876 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.264 -6.532 -8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.939 -3.949 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.661 -5.022 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.630 -7.903 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.049 -7.241 -9.524 1.00 0.00 H new ATOM 707 N GLU A 41 -7.332 -1.345 -5.385 1.00 0.00 N ATOM 708 CA GLU A 41 -5.843 -1.361 -5.284 1.00 0.00 C ATOM 709 C GLU A 41 -5.453 -1.585 -3.820 1.00 0.00 C ATOM 710 O GLU A 41 -4.406 -2.122 -3.518 1.00 0.00 O ATOM 711 CB GLU A 41 -5.281 -0.018 -5.773 1.00 0.00 C ATOM 712 CG GLU A 41 -5.351 0.045 -7.303 1.00 0.00 C ATOM 713 CD GLU A 41 -5.064 1.474 -7.770 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.970 2.289 -7.706 1.00 0.00 O ATOM 715 OE2 GLU A 41 -3.946 1.728 -8.184 1.00 0.00 O ATOM 0 H GLU A 41 -7.724 -0.557 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.435 -2.161 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.849 0.805 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.249 0.098 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.627 -0.643 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.337 -0.270 -7.646 1.00 0.00 H new ATOM 722 N ARG A 42 -6.303 -1.187 -2.910 1.00 0.00 N ATOM 723 CA ARG A 42 -6.000 -1.390 -1.467 1.00 0.00 C ATOM 724 C ARG A 42 -6.132 -2.891 -1.150 1.00 0.00 C ATOM 725 O ARG A 42 -5.319 -3.466 -0.457 1.00 0.00 O ATOM 726 CB ARG A 42 -7.003 -0.548 -0.625 1.00 0.00 C ATOM 727 CG ARG A 42 -6.287 0.254 0.484 1.00 0.00 C ATOM 728 CD ARG A 42 -5.237 1.230 -0.110 1.00 0.00 C ATOM 729 NE ARG A 42 -5.575 1.554 -1.532 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.642 1.945 -2.364 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.407 2.067 -1.958 1.00 0.00 N ATOM 732 NH2 ARG A 42 -4.949 2.222 -3.602 1.00 0.00 N ATOM 0 H ARG A 42 -7.194 -0.730 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.987 -1.067 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.542 0.137 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.744 -1.208 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.022 0.815 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.797 -0.434 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.206 2.145 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.244 0.783 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.539 1.470 -1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.166 1.857 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.684 2.372 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.914 2.134 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.224 2.527 -4.251 1.00 0.00 H new ATOM 746 N TRP A 43 -7.154 -3.524 -1.663 1.00 0.00 N ATOM 747 CA TRP A 43 -7.356 -4.982 -1.410 1.00 0.00 C ATOM 748 C TRP A 43 -6.048 -5.737 -1.616 1.00 0.00 C ATOM 749 O TRP A 43 -5.556 -6.385 -0.722 1.00 0.00 O ATOM 750 CB TRP A 43 -8.390 -5.485 -2.428 1.00 0.00 C ATOM 751 CG TRP A 43 -8.779 -6.914 -2.181 1.00 0.00 C ATOM 752 CD1 TRP A 43 -9.103 -7.457 -0.984 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.919 -7.985 -3.162 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.422 -8.791 -1.168 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.324 -9.163 -2.492 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.730 -8.046 -4.554 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.536 -10.359 -3.179 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.943 -9.249 -5.250 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.345 -10.402 -4.563 1.00 0.00 C ATOM 0 H TRP A 43 -7.864 -3.089 -2.252 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.695 -5.144 -0.387 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.278 -4.855 -2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.983 -5.390 -3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.111 -6.934 -0.039 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.696 -9.422 -0.415 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.419 -7.163 -5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.846 -11.245 -2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.796 -9.284 -6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.507 -11.323 -5.102 1.00 0.00 H new ATOM 770 N ASN A 44 -5.483 -5.643 -2.780 1.00 0.00 N ATOM 771 CA ASN A 44 -4.211 -6.366 -3.064 1.00 0.00 C ATOM 772 C ASN A 44 -3.023 -5.707 -2.359 1.00 0.00 C ATOM 773 O ASN A 44 -2.135 -6.378 -1.874 1.00 0.00 O ATOM 774 CB ASN A 44 -3.969 -6.367 -4.575 1.00 0.00 C ATOM 775 CG ASN A 44 -5.248 -6.801 -5.299 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.521 -7.979 -5.419 1.00 0.00 O ATOM 777 ND2 ASN A 44 -6.052 -5.893 -5.789 1.00 0.00 N ATOM 0 H ASN A 44 -5.848 -5.092 -3.557 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.301 -7.386 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.671 -5.372 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.151 -7.044 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.906 -6.174 -6.271 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.825 -4.904 -5.689 1.00 0.00 H new ATOM 784 N ASN A 45 -2.975 -4.402 -2.317 1.00 0.00 N ATOM 785 CA ASN A 45 -1.814 -3.717 -1.665 1.00 0.00 C ATOM 786 C ASN A 45 -2.071 -3.500 -0.171 1.00 0.00 C ATOM 787 O ASN A 45 -1.400 -2.707 0.461 1.00 0.00 O ATOM 788 CB ASN A 45 -1.589 -2.362 -2.338 1.00 0.00 C ATOM 789 CG ASN A 45 -1.392 -2.564 -3.841 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.120 -3.660 -4.288 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.520 -1.545 -4.646 1.00 0.00 N ATOM 0 H ASN A 45 -3.685 -3.780 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.932 -4.348 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.442 -1.708 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.715 -1.872 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.392 -1.669 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.748 -0.624 -4.271 1.00 0.00 H new ATOM 798 N TYR A 46 -3.018 -4.191 0.415 1.00 0.00 N ATOM 799 CA TYR A 46 -3.273 -4.000 1.882 1.00 0.00 C ATOM 800 C TYR A 46 -3.799 -5.307 2.495 1.00 0.00 C ATOM 801 O TYR A 46 -3.215 -5.828 3.425 1.00 0.00 O ATOM 802 CB TYR A 46 -4.273 -2.838 2.083 1.00 0.00 C ATOM 803 CG TYR A 46 -3.900 -2.029 3.320 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.792 -2.669 4.561 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.660 -0.647 3.226 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.448 -1.936 5.703 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.317 0.084 4.368 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.212 -0.560 5.607 1.00 0.00 C ATOM 809 OH TYR A 46 -2.874 0.162 6.734 1.00 0.00 O ATOM 0 H TYR A 46 -3.620 -4.871 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.344 -3.743 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.273 -2.193 1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.284 -3.233 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.975 -3.731 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.741 -0.149 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.365 -2.433 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.133 1.146 4.294 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.743 1.103 6.493 1.00 0.00 H new ATOM 819 N ILE A 47 -4.882 -5.854 1.988 1.00 0.00 N ATOM 820 CA ILE A 47 -5.416 -7.139 2.560 1.00 0.00 C ATOM 821 C ILE A 47 -6.025 -8.018 1.450 1.00 0.00 C ATOM 822 O ILE A 47 -6.953 -7.643 0.760 1.00 0.00 O ATOM 823 CB ILE A 47 -6.443 -6.863 3.710 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.892 -6.624 3.214 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.005 -5.641 4.523 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.994 -5.343 2.374 1.00 0.00 C ATOM 0 H ILE A 47 -5.417 -5.471 1.209 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.583 -7.689 2.998 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.451 -7.767 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.220 -7.477 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.564 -6.554 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.725 -5.457 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.023 -5.826 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.955 -4.769 3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.023 -5.206 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.690 -4.487 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.341 -5.425 1.505 1.00 0.00 H new ATOM 838 N ASN A 48 -5.484 -9.202 1.294 1.00 0.00 N ATOM 839 CA ASN A 48 -5.988 -10.171 0.270 1.00 0.00 C ATOM 840 C ASN A 48 -5.167 -11.475 0.358 1.00 0.00 C ATOM 841 O ASN A 48 -5.728 -12.552 0.391 1.00 0.00 O ATOM 842 CB ASN A 48 -5.920 -9.546 -1.158 1.00 0.00 C ATOM 843 CG ASN A 48 -5.037 -10.359 -2.121 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.399 -11.447 -2.525 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.888 -9.869 -2.503 1.00 0.00 N ATOM 0 H ASN A 48 -4.697 -9.545 1.845 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.034 -10.404 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.928 -9.475 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.533 -8.530 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.294 -10.399 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.585 -8.956 -2.164 1.00 0.00 H new ATOM 852 N PRO A 49 -3.851 -11.393 0.368 1.00 0.00 N ATOM 853 CA PRO A 49 -2.968 -12.580 0.419 1.00 0.00 C ATOM 854 C PRO A 49 -2.392 -12.830 1.822 1.00 0.00 C ATOM 855 O PRO A 49 -1.713 -13.810 2.048 1.00 0.00 O ATOM 856 CB PRO A 49 -1.860 -12.171 -0.567 1.00 0.00 C ATOM 857 CG PRO A 49 -1.765 -10.656 -0.449 1.00 0.00 C ATOM 858 CD PRO A 49 -3.020 -10.182 0.331 1.00 0.00 C ATOM 0 HA PRO A 49 -3.480 -13.511 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.912 -12.646 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.107 -12.473 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.854 -10.366 0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.727 -10.194 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.767 -9.833 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.525 -9.359 -0.175 1.00 0.00 H new ATOM 866 N ALA A 50 -2.637 -11.943 2.754 1.00 0.00 N ATOM 867 CA ALA A 50 -2.080 -12.125 4.127 1.00 0.00 C ATOM 868 C ALA A 50 -0.568 -11.914 4.052 1.00 0.00 C ATOM 869 O ALA A 50 0.220 -12.781 4.373 1.00 0.00 O ATOM 870 CB ALA A 50 -2.413 -13.539 4.652 1.00 0.00 C ATOM 0 H ALA A 50 -3.198 -11.102 2.622 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.520 -11.405 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.002 -13.661 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.495 -13.669 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.978 -14.286 3.988 1.00 0.00 H new ATOM 876 N LEU A 51 -0.168 -10.754 3.605 1.00 0.00 N ATOM 877 CA LEU A 51 1.284 -10.439 3.467 1.00 0.00 C ATOM 878 C LEU A 51 1.806 -9.836 4.776 1.00 0.00 C ATOM 879 O LEU A 51 2.726 -9.043 4.785 1.00 0.00 O ATOM 880 CB LEU A 51 1.483 -9.450 2.293 1.00 0.00 C ATOM 881 CG LEU A 51 0.281 -8.495 2.175 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.080 -7.735 3.489 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.544 -7.497 1.044 1.00 0.00 C ATOM 0 H LEU A 51 -0.795 -10.000 3.325 1.00 0.00 H new ATOM 0 HA LEU A 51 1.844 -11.351 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.396 -8.875 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.607 -10.003 1.362 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.618 -9.073 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.773 -7.063 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.106 -8.445 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.975 -7.156 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.303 -6.817 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.446 -6.926 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.677 -8.037 0.106 1.00 0.00 H new ATOM 895 N ARG A 52 1.233 -10.216 5.884 1.00 0.00 N ATOM 896 CA ARG A 52 1.706 -9.673 7.185 1.00 0.00 C ATOM 897 C ARG A 52 3.196 -10.001 7.350 1.00 0.00 C ATOM 898 O ARG A 52 3.837 -9.576 8.290 1.00 0.00 O ATOM 899 CB ARG A 52 0.894 -10.310 8.330 1.00 0.00 C ATOM 900 CG ARG A 52 1.011 -9.465 9.622 1.00 0.00 C ATOM 901 CD ARG A 52 -0.042 -8.347 9.632 1.00 0.00 C ATOM 902 NE ARG A 52 -1.403 -8.946 9.551 1.00 0.00 N ATOM 903 CZ ARG A 52 -2.458 -8.176 9.557 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.320 -6.880 9.630 1.00 0.00 N ATOM 905 NH2 ARG A 52 -3.650 -8.703 9.489 1.00 0.00 N ATOM 0 H ARG A 52 0.459 -10.878 5.944 1.00 0.00 H new ATOM 0 HA ARG A 52 1.569 -8.592 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.153 -10.393 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.253 -11.322 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.879 -10.104 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.009 -9.033 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.052 -7.753 10.541 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.121 -7.672 8.792 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.511 -9.958 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.388 -6.468 9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.144 -6.279 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.757 -9.716 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.474 -8.102 9.494 1.00 0.00 H new ATOM 919 N THR A 53 3.753 -10.757 6.436 1.00 0.00 N ATOM 920 CA THR A 53 5.201 -11.117 6.535 1.00 0.00 C ATOM 921 C THR A 53 5.755 -11.424 5.138 1.00 0.00 C ATOM 922 O THR A 53 6.123 -12.543 4.840 1.00 0.00 O ATOM 923 CB THR A 53 5.357 -12.351 7.429 1.00 0.00 C ATOM 924 OG1 THR A 53 4.625 -12.157 8.631 1.00 0.00 O ATOM 925 CG2 THR A 53 6.835 -12.565 7.760 1.00 0.00 C ATOM 0 H THR A 53 3.267 -11.140 5.625 1.00 0.00 H new ATOM 0 HA THR A 53 5.753 -10.281 6.965 1.00 0.00 H new ATOM 0 HB THR A 53 4.975 -13.228 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.722 -12.946 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.942 -13.444 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.396 -12.714 6.838 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.221 -11.690 8.282 1.00 0.00 H new ATOM 933 N ASP A 54 5.821 -10.432 4.284 1.00 0.00 N ATOM 934 CA ASP A 54 6.355 -10.637 2.896 1.00 0.00 C ATOM 935 C ASP A 54 7.314 -9.493 2.562 1.00 0.00 C ATOM 936 O ASP A 54 6.991 -8.623 1.784 1.00 0.00 O ATOM 937 CB ASP A 54 5.191 -10.624 1.901 1.00 0.00 C ATOM 938 CG ASP A 54 4.342 -11.882 2.092 1.00 0.00 C ATOM 939 OD1 ASP A 54 4.087 -12.233 3.233 1.00 0.00 O ATOM 940 OD2 ASP A 54 3.960 -12.472 1.095 1.00 0.00 O ATOM 0 H ASP A 54 5.525 -9.478 4.489 1.00 0.00 H new ATOM 0 HA ASP A 54 6.878 -11.592 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.580 -9.734 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.572 -10.581 0.880 1.00 0.00 H new ATOM 945 N PRO A 55 8.484 -9.482 3.155 1.00 0.00 N ATOM 946 CA PRO A 55 9.485 -8.403 2.920 1.00 0.00 C ATOM 947 C PRO A 55 10.240 -8.577 1.599 1.00 0.00 C ATOM 948 O PRO A 55 10.639 -9.663 1.228 1.00 0.00 O ATOM 949 CB PRO A 55 10.430 -8.542 4.119 1.00 0.00 C ATOM 950 CG PRO A 55 10.421 -10.005 4.418 1.00 0.00 C ATOM 951 CD PRO A 55 8.992 -10.488 4.113 1.00 0.00 C ATOM 0 HA PRO A 55 9.021 -7.420 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.433 -8.190 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.082 -7.958 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.151 -10.534 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.683 -10.193 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.990 -11.489 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.381 -10.528 5.015 1.00 0.00 H new ATOM 959 N TRP A 56 10.438 -7.499 0.898 1.00 0.00 N ATOM 960 CA TRP A 56 11.170 -7.560 -0.401 1.00 0.00 C ATOM 961 C TRP A 56 12.670 -7.754 -0.132 1.00 0.00 C ATOM 962 O TRP A 56 13.074 -8.054 0.974 1.00 0.00 O ATOM 963 CB TRP A 56 10.907 -6.272 -1.218 1.00 0.00 C ATOM 964 CG TRP A 56 10.523 -5.127 -0.324 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.279 -4.909 0.164 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.349 -4.036 0.168 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.287 -3.755 0.927 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.542 -3.177 0.958 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.706 -3.711 0.008 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.070 -2.035 1.561 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.237 -2.565 0.613 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.423 -1.727 1.387 1.00 0.00 C ATOM 0 H TRP A 56 10.122 -6.568 1.169 1.00 0.00 H new ATOM 0 HA TRP A 56 10.812 -8.406 -0.988 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.800 -6.010 -1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.112 -6.454 -1.941 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.418 -5.536 -0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.469 -3.378 1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.344 -4.349 -0.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.438 -1.394 2.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.282 -2.325 0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.840 -0.844 1.849 1.00 0.00 H new ATOM 983 N SER A 57 13.492 -7.615 -1.153 1.00 0.00 N ATOM 984 CA SER A 57 14.975 -7.823 -0.996 1.00 0.00 C ATOM 985 C SER A 57 15.732 -6.574 -1.484 1.00 0.00 C ATOM 986 O SER A 57 15.138 -5.650 -2.002 1.00 0.00 O ATOM 987 CB SER A 57 15.377 -9.051 -1.845 1.00 0.00 C ATOM 988 OG SER A 57 16.176 -8.645 -2.953 1.00 0.00 O ATOM 0 H SER A 57 13.196 -7.364 -2.096 1.00 0.00 H new ATOM 0 HA SER A 57 15.227 -7.990 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.929 -9.762 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.484 -9.564 -2.201 1.00 0.00 H new ATOM 0 HG SER A 57 16.425 -9.431 -3.482 1.00 0.00 H new ATOM 994 N PRO A 58 17.042 -6.553 -1.332 1.00 0.00 N ATOM 995 CA PRO A 58 17.886 -5.403 -1.781 1.00 0.00 C ATOM 996 C PRO A 58 17.539 -4.946 -3.205 1.00 0.00 C ATOM 997 O PRO A 58 17.915 -3.874 -3.636 1.00 0.00 O ATOM 998 CB PRO A 58 19.315 -5.964 -1.716 1.00 0.00 C ATOM 999 CG PRO A 58 19.262 -6.971 -0.616 1.00 0.00 C ATOM 1000 CD PRO A 58 17.872 -7.614 -0.714 1.00 0.00 C ATOM 0 HA PRO A 58 17.738 -4.518 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.607 -6.422 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.042 -5.180 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.048 -7.717 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.408 -6.499 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.890 -8.517 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.492 -7.900 0.267 1.00 0.00 H new ATOM 1008 N GLU A 59 16.827 -5.759 -3.933 1.00 0.00 N ATOM 1009 CA GLU A 59 16.451 -5.397 -5.319 1.00 0.00 C ATOM 1010 C GLU A 59 15.486 -4.226 -5.269 1.00 0.00 C ATOM 1011 O GLU A 59 15.637 -3.258 -5.987 1.00 0.00 O ATOM 1012 CB GLU A 59 15.775 -6.591 -5.997 1.00 0.00 C ATOM 1013 CG GLU A 59 16.759 -7.762 -6.066 1.00 0.00 C ATOM 1014 CD GLU A 59 17.879 -7.429 -7.053 1.00 0.00 C ATOM 1015 OE1 GLU A 59 17.606 -7.397 -8.242 1.00 0.00 O ATOM 1016 OE2 GLU A 59 18.993 -7.212 -6.603 1.00 0.00 O ATOM 0 H GLU A 59 16.488 -6.668 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 59 17.340 -5.123 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.884 -6.883 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.449 -6.317 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.176 -7.959 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.241 -8.668 -6.379 1.00 0.00 H new ATOM 1023 N GLU A 60 14.495 -4.287 -4.416 1.00 0.00 N ATOM 1024 CA GLU A 60 13.549 -3.145 -4.334 1.00 0.00 C ATOM 1025 C GLU A 60 14.209 -2.029 -3.529 1.00 0.00 C ATOM 1026 O GLU A 60 13.871 -0.876 -3.664 1.00 0.00 O ATOM 1027 CB GLU A 60 12.254 -3.590 -3.664 1.00 0.00 C ATOM 1028 CG GLU A 60 11.584 -4.669 -4.522 1.00 0.00 C ATOM 1029 CD GLU A 60 10.159 -4.913 -4.028 1.00 0.00 C ATOM 1030 OE1 GLU A 60 9.731 -4.202 -3.134 1.00 0.00 O ATOM 1031 OE2 GLU A 60 9.520 -5.812 -4.549 1.00 0.00 O ATOM 0 H GLU A 60 14.306 -5.066 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 60 13.308 -2.784 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.462 -3.979 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.584 -2.739 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.568 -4.358 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.159 -5.594 -4.473 1.00 0.00 H new ATOM 1038 N ASP A 61 15.173 -2.362 -2.707 1.00 0.00 N ATOM 1039 CA ASP A 61 15.869 -1.306 -1.917 1.00 0.00 C ATOM 1040 C ASP A 61 16.651 -0.418 -2.887 1.00 0.00 C ATOM 1041 O ASP A 61 16.456 0.779 -2.950 1.00 0.00 O ATOM 1042 CB ASP A 61 16.842 -1.956 -0.918 1.00 0.00 C ATOM 1043 CG ASP A 61 17.223 -0.945 0.168 1.00 0.00 C ATOM 1044 OD1 ASP A 61 17.975 -0.034 -0.136 1.00 0.00 O ATOM 1045 OD2 ASP A 61 16.755 -1.100 1.284 1.00 0.00 O ATOM 0 H ASP A 61 15.505 -3.314 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 61 15.141 -0.714 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.380 -2.833 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.736 -2.299 -1.438 1.00 0.00 H new ATOM 1050 N MET A 62 17.530 -1.007 -3.650 1.00 0.00 N ATOM 1051 CA MET A 62 18.317 -0.212 -4.624 1.00 0.00 C ATOM 1052 C MET A 62 17.360 0.404 -5.639 1.00 0.00 C ATOM 1053 O MET A 62 17.527 1.533 -6.056 1.00 0.00 O ATOM 1054 CB MET A 62 19.316 -1.121 -5.344 1.00 0.00 C ATOM 1055 CG MET A 62 20.394 -1.575 -4.359 1.00 0.00 C ATOM 1056 SD MET A 62 21.463 -2.800 -5.157 1.00 0.00 S ATOM 1057 CE MET A 62 22.607 -1.632 -5.936 1.00 0.00 C ATOM 0 H MET A 62 17.735 -2.006 -3.638 1.00 0.00 H new ATOM 0 HA MET A 62 18.865 0.574 -4.105 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.801 -1.987 -5.761 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.772 -0.589 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.985 -0.720 -4.030 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.932 -2.004 -3.470 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.366 -2.182 -6.493 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.057 -0.983 -6.617 1.00 0.00 H new ATOM 0 HE3 MET A 62 23.088 -1.027 -5.168 1.00 0.00 H new ATOM 1067 N LEU A 63 16.344 -0.320 -6.033 1.00 0.00 N ATOM 1068 CA LEU A 63 15.376 0.254 -7.013 1.00 0.00 C ATOM 1069 C LEU A 63 14.520 1.302 -6.293 1.00 0.00 C ATOM 1070 O LEU A 63 14.091 2.277 -6.877 1.00 0.00 O ATOM 1071 CB LEU A 63 14.482 -0.862 -7.587 1.00 0.00 C ATOM 1072 CG LEU A 63 13.837 -0.412 -8.925 1.00 0.00 C ATOM 1073 CD1 LEU A 63 14.804 -0.639 -10.097 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.558 -1.221 -9.182 1.00 0.00 C ATOM 0 H LEU A 63 16.145 -1.271 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 63 15.913 0.720 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.074 -1.763 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.703 -1.116 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 63 13.604 0.650 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.332 -0.317 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.715 -0.063 -9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.052 -1.698 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.108 -0.902 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.803 -2.281 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.853 -1.055 -8.368 1.00 0.00 H new ATOM 1086 N LEU A 64 14.281 1.111 -5.022 1.00 0.00 N ATOM 1087 CA LEU A 64 13.469 2.099 -4.261 1.00 0.00 C ATOM 1088 C LEU A 64 14.216 3.429 -4.265 1.00 0.00 C ATOM 1089 O LEU A 64 13.635 4.471 -4.453 1.00 0.00 O ATOM 1090 CB LEU A 64 13.249 1.591 -2.815 1.00 0.00 C ATOM 1091 CG LEU A 64 12.801 2.742 -1.855 1.00 0.00 C ATOM 1092 CD1 LEU A 64 11.762 2.216 -0.849 1.00 0.00 C ATOM 1093 CD2 LEU A 64 14.008 3.293 -1.068 1.00 0.00 C ATOM 0 H LEU A 64 14.614 0.313 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 64 12.490 2.231 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.494 0.805 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.171 1.146 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 64 12.367 3.537 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.456 3.025 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.892 1.840 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.201 1.410 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.676 4.093 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.452 2.493 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.749 3.683 -1.765 1.00 0.00 H new ATOM 1105 N ASP A 65 15.507 3.408 -4.070 1.00 0.00 N ATOM 1106 CA ASP A 65 16.278 4.686 -4.076 1.00 0.00 C ATOM 1107 C ASP A 65 15.906 5.482 -5.329 1.00 0.00 C ATOM 1108 O ASP A 65 15.837 6.694 -5.315 1.00 0.00 O ATOM 1109 CB ASP A 65 17.776 4.379 -4.090 1.00 0.00 C ATOM 1110 CG ASP A 65 18.564 5.670 -3.860 1.00 0.00 C ATOM 1111 OD1 ASP A 65 18.423 6.246 -2.794 1.00 0.00 O ATOM 1112 OD2 ASP A 65 19.296 6.061 -4.754 1.00 0.00 O ATOM 0 H ASP A 65 16.059 2.566 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 65 16.040 5.267 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.016 3.651 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.058 3.934 -5.044 1.00 0.00 H new ATOM 1117 N GLN A 66 15.658 4.795 -6.412 1.00 0.00 N ATOM 1118 CA GLN A 66 15.278 5.490 -7.677 1.00 0.00 C ATOM 1119 C GLN A 66 13.796 5.884 -7.643 1.00 0.00 C ATOM 1120 O GLN A 66 13.428 6.976 -8.029 1.00 0.00 O ATOM 1121 CB GLN A 66 15.527 4.556 -8.862 1.00 0.00 C ATOM 1122 CG GLN A 66 15.326 5.325 -10.170 1.00 0.00 C ATOM 1123 CD GLN A 66 15.685 4.424 -11.353 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.521 3.551 -11.234 1.00 0.00 O ATOM 1125 NE2 GLN A 66 15.085 4.601 -12.498 1.00 0.00 N ATOM 0 H GLN A 66 15.702 3.778 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 66 15.882 6.392 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.539 4.155 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.845 3.707 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.291 5.657 -10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.949 6.219 -10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.383 5.334 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.318 4.006 -13.293 1.00 0.00 H new ATOM 1134 N LYS A 67 12.938 5.000 -7.204 1.00 0.00 N ATOM 1135 CA LYS A 67 11.479 5.327 -7.172 1.00 0.00 C ATOM 1136 C LYS A 67 11.195 6.339 -6.057 1.00 0.00 C ATOM 1137 O LYS A 67 10.634 7.391 -6.289 1.00 0.00 O ATOM 1138 CB LYS A 67 10.672 4.047 -6.912 1.00 0.00 C ATOM 1139 CG LYS A 67 11.038 2.956 -7.935 1.00 0.00 C ATOM 1140 CD LYS A 67 10.392 3.255 -9.297 1.00 0.00 C ATOM 1141 CE LYS A 67 10.549 2.038 -10.212 1.00 0.00 C ATOM 1142 NZ LYS A 67 11.995 1.799 -10.479 1.00 0.00 N ATOM 0 H LYS A 67 13.182 4.069 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 67 11.189 5.756 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.868 3.686 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.606 4.265 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.121 2.901 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.704 1.984 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.336 3.492 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.861 4.128 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.105 1.159 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.018 2.204 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.103 0.952 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.398 2.621 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.495 1.656 -9.579 1.00 0.00 H new ATOM 1156 N TYR A 68 11.587 6.034 -4.850 1.00 0.00 N ATOM 1157 CA TYR A 68 11.351 6.977 -3.716 1.00 0.00 C ATOM 1158 C TYR A 68 11.889 8.358 -4.110 1.00 0.00 C ATOM 1159 O TYR A 68 11.267 9.374 -3.876 1.00 0.00 O ATOM 1160 CB TYR A 68 12.079 6.440 -2.461 1.00 0.00 C ATOM 1161 CG TYR A 68 12.367 7.554 -1.469 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.471 8.392 -1.671 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.538 7.747 -0.358 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.746 9.421 -0.765 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.814 8.777 0.549 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.917 9.615 0.345 1.00 0.00 C ATOM 1167 OH TYR A 68 13.187 10.629 1.240 1.00 0.00 O ATOM 0 H TYR A 68 12.063 5.168 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 68 10.287 7.062 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.468 5.674 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 68 13.014 5.963 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 68 14.111 8.243 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.686 7.102 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.598 10.066 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.175 8.925 1.407 1.00 0.00 H new ATOM 0 HH TYR A 68 12.513 10.625 1.952 1.00 0.00 H new ATOM 1177 N ALA A 69 13.041 8.393 -4.711 1.00 0.00 N ATOM 1178 CA ALA A 69 13.627 9.693 -5.127 1.00 0.00 C ATOM 1179 C ALA A 69 12.622 10.439 -6.003 1.00 0.00 C ATOM 1180 O ALA A 69 12.584 11.653 -6.031 1.00 0.00 O ATOM 1181 CB ALA A 69 14.908 9.427 -5.922 1.00 0.00 C ATOM 0 H ALA A 69 13.605 7.573 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 69 13.860 10.298 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.347 10.375 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.618 8.886 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.672 8.830 -6.803 1.00 0.00 H new ATOM 1187 N GLU A 70 11.808 9.716 -6.727 1.00 0.00 N ATOM 1188 CA GLU A 70 10.799 10.357 -7.618 1.00 0.00 C ATOM 1189 C GLU A 70 9.465 10.511 -6.882 1.00 0.00 C ATOM 1190 O GLU A 70 8.895 11.583 -6.832 1.00 0.00 O ATOM 1191 CB GLU A 70 10.597 9.468 -8.848 1.00 0.00 C ATOM 1192 CG GLU A 70 11.841 9.534 -9.738 1.00 0.00 C ATOM 1193 CD GLU A 70 11.630 8.660 -10.975 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.713 8.943 -11.728 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.390 7.722 -11.151 1.00 0.00 O ATOM 0 H GLU A 70 11.800 8.696 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 70 11.153 11.344 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.412 8.439 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.720 9.796 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.034 10.565 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.716 9.194 -9.184 1.00 0.00 H new ATOM 1202 N TYR A 71 8.942 9.436 -6.341 1.00 0.00 N ATOM 1203 CA TYR A 71 7.619 9.503 -5.641 1.00 0.00 C ATOM 1204 C TYR A 71 7.790 9.741 -4.137 1.00 0.00 C ATOM 1205 O TYR A 71 6.968 10.382 -3.514 1.00 0.00 O ATOM 1206 CB TYR A 71 6.872 8.188 -5.881 1.00 0.00 C ATOM 1207 CG TYR A 71 7.000 7.804 -7.338 1.00 0.00 C ATOM 1208 CD1 TYR A 71 6.166 8.400 -8.292 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.949 6.855 -7.736 1.00 0.00 C ATOM 1210 CE1 TYR A 71 6.281 8.048 -9.643 1.00 0.00 C ATOM 1211 CE2 TYR A 71 8.065 6.502 -9.086 1.00 0.00 C ATOM 1212 CZ TYR A 71 7.231 7.099 -10.039 1.00 0.00 C ATOM 1213 OH TYR A 71 7.345 6.751 -11.369 1.00 0.00 O ATOM 0 H TYR A 71 9.375 8.513 -6.354 1.00 0.00 H new ATOM 0 HA TYR A 71 7.051 10.342 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.282 7.402 -5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.821 8.298 -5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.433 9.132 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.592 6.395 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.638 8.508 -10.378 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.797 5.770 -9.392 1.00 0.00 H new ATOM 0 HH TYR A 71 8.052 6.081 -11.472 1.00 0.00 H new ATOM 1223 N GLY A 72 8.833 9.234 -3.539 1.00 0.00 N ATOM 1224 CA GLY A 72 9.019 9.441 -2.068 1.00 0.00 C ATOM 1225 C GLY A 72 8.236 8.364 -1.310 1.00 0.00 C ATOM 1226 O GLY A 72 7.906 7.335 -1.865 1.00 0.00 O ATOM 0 H GLY A 72 9.562 8.688 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.077 9.388 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.670 10.433 -1.780 1.00 0.00 H new ATOM 1230 N PRO A 73 7.939 8.586 -0.053 1.00 0.00 N ATOM 1231 CA PRO A 73 7.181 7.601 0.776 1.00 0.00 C ATOM 1232 C PRO A 73 5.778 7.306 0.221 1.00 0.00 C ATOM 1233 O PRO A 73 4.891 6.906 0.948 1.00 0.00 O ATOM 1234 CB PRO A 73 7.092 8.265 2.173 1.00 0.00 C ATOM 1235 CG PRO A 73 8.162 9.319 2.174 1.00 0.00 C ATOM 1236 CD PRO A 73 8.293 9.787 0.722 1.00 0.00 C ATOM 0 HA PRO A 73 7.681 6.633 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.108 8.702 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.256 7.536 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.893 10.148 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.106 8.917 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.622 10.618 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.304 10.127 0.498 1.00 0.00 H new ATOM 1244 N LYS A 74 5.563 7.493 -1.056 1.00 0.00 N ATOM 1245 CA LYS A 74 4.217 7.212 -1.628 1.00 0.00 C ATOM 1246 C LYS A 74 4.103 5.715 -1.906 1.00 0.00 C ATOM 1247 O LYS A 74 3.991 5.291 -3.039 1.00 0.00 O ATOM 1248 CB LYS A 74 4.058 7.984 -2.933 1.00 0.00 C ATOM 1249 CG LYS A 74 3.905 9.477 -2.633 1.00 0.00 C ATOM 1250 CD LYS A 74 3.728 10.247 -3.943 1.00 0.00 C ATOM 1251 CE LYS A 74 3.673 11.747 -3.650 1.00 0.00 C ATOM 1252 NZ LYS A 74 5.001 12.206 -3.154 1.00 0.00 N ATOM 0 H LYS A 74 6.259 7.827 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 74 3.440 7.518 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.925 7.819 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.186 7.621 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.045 9.642 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.782 9.843 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.554 10.028 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.813 9.930 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.401 12.295 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.904 11.955 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.171 13.182 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.014 12.171 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.746 11.586 -3.531 1.00 0.00 H new ATOM 1266 N TRP A 75 4.139 4.911 -0.882 1.00 0.00 N ATOM 1267 CA TRP A 75 4.044 3.440 -1.085 1.00 0.00 C ATOM 1268 C TRP A 75 2.805 3.107 -1.922 1.00 0.00 C ATOM 1269 O TRP A 75 2.611 1.985 -2.343 1.00 0.00 O ATOM 1270 CB TRP A 75 3.966 2.741 0.278 1.00 0.00 C ATOM 1271 CG TRP A 75 4.838 3.450 1.270 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.403 3.981 2.432 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.273 3.716 1.211 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.478 4.529 3.105 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.650 4.400 2.392 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.278 3.432 0.267 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.970 4.784 2.629 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.606 3.821 0.500 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.952 4.494 1.679 1.00 0.00 C ATOM 0 H TRP A 75 4.230 5.210 0.089 1.00 0.00 H new ATOM 0 HA TRP A 75 4.928 3.089 -1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.935 2.729 0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.282 1.702 0.181 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.380 3.978 2.779 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.412 4.975 4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.025 2.910 -0.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.231 5.302 3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.366 3.600 -0.234 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.976 4.788 1.853 1.00 0.00 H new ATOM 1290 N ASN A 76 1.975 4.076 -2.169 1.00 0.00 N ATOM 1291 CA ASN A 76 0.756 3.824 -2.984 1.00 0.00 C ATOM 1292 C ASN A 76 1.180 3.600 -4.433 1.00 0.00 C ATOM 1293 O ASN A 76 0.615 2.792 -5.142 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.177 5.034 -2.902 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.426 4.773 -3.747 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.518 3.768 -4.423 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.400 5.643 -3.736 1.00 0.00 N ATOM 0 H ASN A 76 2.087 5.035 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 76 0.230 2.946 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.458 5.220 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.336 5.927 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.237 5.478 -4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.323 6.487 -3.169 1.00 0.00 H new ATOM 1304 N LYS A 77 2.187 4.307 -4.873 1.00 0.00 N ATOM 1305 CA LYS A 77 2.676 4.140 -6.268 1.00 0.00 C ATOM 1306 C LYS A 77 3.661 2.975 -6.303 1.00 0.00 C ATOM 1307 O LYS A 77 3.713 2.216 -7.250 1.00 0.00 O ATOM 1308 CB LYS A 77 3.389 5.417 -6.709 1.00 0.00 C ATOM 1309 CG LYS A 77 2.361 6.532 -6.913 1.00 0.00 C ATOM 1310 CD LYS A 77 3.063 7.784 -7.443 1.00 0.00 C ATOM 1311 CE LYS A 77 2.017 8.818 -7.864 1.00 0.00 C ATOM 1312 NZ LYS A 77 1.239 9.252 -6.670 1.00 0.00 N ATOM 0 H LYS A 77 2.694 4.998 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 77 1.839 3.943 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.121 5.715 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.937 5.239 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.593 6.208 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.859 6.755 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.713 8.202 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.697 7.526 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.504 9.677 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.348 8.391 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.248 8.956 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.642 8.816 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.283 10.288 -6.584 1.00 0.00 H new ATOM 1326 N ILE A 78 4.443 2.831 -5.270 1.00 0.00 N ATOM 1327 CA ILE A 78 5.430 1.720 -5.231 1.00 0.00 C ATOM 1328 C ILE A 78 4.685 0.387 -5.114 1.00 0.00 C ATOM 1329 O ILE A 78 4.869 -0.509 -5.905 1.00 0.00 O ATOM 1330 CB ILE A 78 6.348 1.911 -4.015 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.747 3.390 -3.885 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.607 1.053 -4.170 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.287 3.922 -5.218 1.00 0.00 C ATOM 0 H ILE A 78 4.440 3.437 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 78 6.028 1.719 -6.142 1.00 0.00 H new ATOM 0 HB ILE A 78 5.811 1.603 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.884 3.979 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.504 3.501 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.253 1.194 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.325 0.003 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.141 1.350 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.564 4.970 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.163 3.344 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.518 3.830 -5.985 1.00 0.00 H new ATOM 1345 N SER A 79 3.842 0.258 -4.129 1.00 0.00 N ATOM 1346 CA SER A 79 3.076 -1.011 -3.949 1.00 0.00 C ATOM 1347 C SER A 79 2.418 -1.437 -5.266 1.00 0.00 C ATOM 1348 O SER A 79 2.124 -2.598 -5.471 1.00 0.00 O ATOM 1349 CB SER A 79 1.998 -0.808 -2.885 1.00 0.00 C ATOM 1350 OG SER A 79 0.990 0.055 -3.396 1.00 0.00 O ATOM 0 H SER A 79 3.648 0.980 -3.435 1.00 0.00 H new ATOM 0 HA SER A 79 3.766 -1.794 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.563 -1.767 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.437 -0.380 -1.984 1.00 0.00 H new ATOM 0 HG SER A 79 1.224 0.986 -3.197 1.00 0.00 H new ATOM 1356 N LYS A 80 2.173 -0.515 -6.156 1.00 0.00 N ATOM 1357 CA LYS A 80 1.525 -0.883 -7.448 1.00 0.00 C ATOM 1358 C LYS A 80 2.561 -1.544 -8.350 1.00 0.00 C ATOM 1359 O LYS A 80 2.230 -2.249 -9.283 1.00 0.00 O ATOM 1360 CB LYS A 80 0.967 0.376 -8.128 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.334 0.802 -7.437 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.818 2.144 -8.007 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.133 2.011 -9.509 1.00 0.00 C ATOM 1364 NZ LYS A 80 0.116 2.205 -10.298 1.00 0.00 N ATOM 0 H LYS A 80 2.393 0.475 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 80 0.704 -1.575 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.698 1.183 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.782 0.179 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.099 0.039 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.172 0.891 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.708 2.474 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.054 2.907 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.558 1.029 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.879 2.750 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.034 2.950 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.889 2.485 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.366 1.316 -10.776 1.00 0.00 H new ATOM 1378 N PHE A 81 3.818 -1.330 -8.072 1.00 0.00 N ATOM 1379 CA PHE A 81 4.885 -1.950 -8.902 1.00 0.00 C ATOM 1380 C PHE A 81 5.187 -3.333 -8.321 1.00 0.00 C ATOM 1381 O PHE A 81 5.836 -4.157 -8.933 1.00 0.00 O ATOM 1382 CB PHE A 81 6.141 -1.059 -8.848 1.00 0.00 C ATOM 1383 CG PHE A 81 6.050 0.036 -9.897 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.220 -0.283 -11.249 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.797 1.363 -9.519 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.138 0.720 -12.222 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.713 2.365 -10.493 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.884 2.044 -11.844 1.00 0.00 C ATOM 0 H PHE A 81 4.151 -0.750 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 81 4.570 -2.048 -9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.240 -0.616 -7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.032 -1.663 -9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.415 -1.304 -11.542 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.667 1.612 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.271 0.472 -13.265 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.516 3.386 -10.201 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.820 2.817 -12.595 1.00 0.00 H new ATOM 1398 N LEU A 82 4.712 -3.576 -7.130 1.00 0.00 N ATOM 1399 CA LEU A 82 4.943 -4.889 -6.454 1.00 0.00 C ATOM 1400 C LEU A 82 3.696 -5.761 -6.634 1.00 0.00 C ATOM 1401 O LEU A 82 3.717 -6.745 -7.344 1.00 0.00 O ATOM 1402 CB LEU A 82 5.183 -4.621 -4.958 1.00 0.00 C ATOM 1403 CG LEU A 82 6.632 -4.129 -4.699 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.080 -3.104 -5.751 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.706 -3.467 -3.318 1.00 0.00 C ATOM 0 H LEU A 82 4.164 -2.910 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 82 5.805 -5.402 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.474 -3.874 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.999 -5.532 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 82 7.290 -4.996 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.099 -2.783 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.044 -3.559 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.415 -2.241 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.723 -3.121 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.022 -2.619 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.425 -4.190 -2.552 1.00 0.00 H new ATOM 1417 N LYS A 83 2.616 -5.404 -5.985 1.00 0.00 N ATOM 1418 CA LYS A 83 1.354 -6.192 -6.092 1.00 0.00 C ATOM 1419 C LYS A 83 1.492 -7.434 -5.214 1.00 0.00 C ATOM 1420 O LYS A 83 0.564 -8.203 -5.057 1.00 0.00 O ATOM 1421 CB LYS A 83 1.091 -6.588 -7.570 1.00 0.00 C ATOM 1422 CG LYS A 83 -0.428 -6.668 -7.859 1.00 0.00 C ATOM 1423 CD LYS A 83 -1.003 -5.270 -8.182 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.446 -4.730 -9.517 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.486 -3.890 -10.175 1.00 0.00 N ATOM 0 H LYS A 83 2.557 -4.587 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 83 0.507 -5.595 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.554 -5.858 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.557 -7.551 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.608 -7.342 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.945 -7.088 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.090 -5.325 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.757 -4.578 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.454 -4.142 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.163 -5.557 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.117 -3.523 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.333 -4.465 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.735 -3.095 -9.553 1.00 0.00 H new ATOM 1439 N ASN A 84 2.654 -7.620 -4.636 1.00 0.00 N ATOM 1440 CA ASN A 84 2.894 -8.798 -3.749 1.00 0.00 C ATOM 1441 C ASN A 84 2.958 -8.328 -2.294 1.00 0.00 C ATOM 1442 O ASN A 84 2.696 -9.085 -1.379 1.00 0.00 O ATOM 1443 CB ASN A 84 4.222 -9.460 -4.134 1.00 0.00 C ATOM 1444 CG ASN A 84 4.065 -10.183 -5.473 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.486 -11.314 -5.619 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.473 -9.575 -6.465 1.00 0.00 N ATOM 0 H ASN A 84 3.455 -6.997 -4.743 1.00 0.00 H new ATOM 0 HA ASN A 84 2.084 -9.518 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.008 -8.708 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.526 -10.166 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.364 -10.049 -7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.119 -8.626 -6.343 1.00 0.00 H new ATOM 1453 N ARG A 85 3.302 -7.079 -2.077 1.00 0.00 N ATOM 1454 CA ARG A 85 3.388 -6.528 -0.686 1.00 0.00 C ATOM 1455 C ARG A 85 2.362 -5.417 -0.522 1.00 0.00 C ATOM 1456 O ARG A 85 1.559 -5.162 -1.397 1.00 0.00 O ATOM 1457 CB ARG A 85 4.793 -5.977 -0.445 1.00 0.00 C ATOM 1458 CG ARG A 85 5.841 -7.122 -0.539 1.00 0.00 C ATOM 1459 CD ARG A 85 6.438 -7.198 -1.955 1.00 0.00 C ATOM 1460 NE ARG A 85 7.045 -8.543 -2.163 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.736 -8.788 -3.243 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.896 -7.854 -4.142 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.267 -9.966 -3.426 1.00 0.00 N ATOM 0 H ARG A 85 3.529 -6.411 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 85 3.183 -7.317 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.020 -5.205 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.844 -5.507 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.636 -6.955 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.372 -8.073 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.662 -7.018 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.192 -6.422 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 85 6.920 -9.273 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.481 -6.933 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.436 -8.046 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.142 -10.696 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.807 -10.157 -4.270 1.00 0.00 H new ATOM 1477 N SER A 86 2.366 -4.779 0.620 1.00 0.00 N ATOM 1478 CA SER A 86 1.382 -3.702 0.907 1.00 0.00 C ATOM 1479 C SER A 86 2.117 -2.474 1.410 1.00 0.00 C ATOM 1480 O SER A 86 3.244 -2.538 1.850 1.00 0.00 O ATOM 1481 CB SER A 86 0.420 -4.186 1.993 1.00 0.00 C ATOM 1482 OG SER A 86 -0.115 -3.063 2.682 1.00 0.00 O ATOM 0 H SER A 86 3.024 -4.965 1.377 1.00 0.00 H new ATOM 0 HA SER A 86 0.829 -3.455 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.385 -4.771 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.941 -4.841 2.691 1.00 0.00 H new ATOM 0 HG SER A 86 -0.612 -2.500 2.053 1.00 0.00 H new ATOM 1488 N ASP A 87 1.470 -1.363 1.354 1.00 0.00 N ATOM 1489 CA ASP A 87 2.103 -0.110 1.827 1.00 0.00 C ATOM 1490 C ASP A 87 2.484 -0.276 3.294 1.00 0.00 C ATOM 1491 O ASP A 87 3.468 0.262 3.761 1.00 0.00 O ATOM 1492 CB ASP A 87 1.117 1.051 1.668 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.264 0.621 2.164 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.957 -0.051 1.418 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.604 0.968 3.282 1.00 0.00 O ATOM 0 H ASP A 87 0.520 -1.261 0.998 1.00 0.00 H new ATOM 0 HA ASP A 87 2.997 0.104 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.464 1.916 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.061 1.354 0.622 1.00 0.00 H new ATOM 1500 N ASN A 88 1.713 -1.031 4.017 1.00 0.00 N ATOM 1501 CA ASN A 88 2.023 -1.254 5.452 1.00 0.00 C ATOM 1502 C ASN A 88 3.292 -2.099 5.560 1.00 0.00 C ATOM 1503 O ASN A 88 4.028 -2.006 6.519 1.00 0.00 O ATOM 1504 CB ASN A 88 0.859 -1.991 6.119 1.00 0.00 C ATOM 1505 CG ASN A 88 1.113 -2.091 7.624 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.764 -3.010 8.082 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.623 -1.179 8.419 1.00 0.00 N ATOM 0 H ASN A 88 0.877 -1.506 3.675 1.00 0.00 H new ATOM 0 HA ASN A 88 2.173 -0.296 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.075 -1.462 5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.752 -2.988 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.786 -1.237 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.077 -0.408 8.035 1.00 0.00 H new ATOM 1514 N ASN A 89 3.560 -2.921 4.576 1.00 0.00 N ATOM 1515 CA ASN A 89 4.781 -3.765 4.614 1.00 0.00 C ATOM 1516 C ASN A 89 5.962 -2.941 4.099 1.00 0.00 C ATOM 1517 O ASN A 89 7.050 -2.973 4.639 1.00 0.00 O ATOM 1518 CB ASN A 89 4.550 -4.973 3.701 1.00 0.00 C ATOM 1519 CG ASN A 89 5.568 -6.071 4.008 1.00 0.00 C ATOM 1520 OD1 ASN A 89 5.870 -6.334 5.154 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.111 -6.726 3.023 1.00 0.00 N ATOM 0 H ASN A 89 2.979 -3.040 3.746 1.00 0.00 H new ATOM 0 HA ASN A 89 4.994 -4.102 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.539 -5.355 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.635 -4.670 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.791 -7.462 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.856 -6.504 2.061 1.00 0.00 H new ATOM 1528 N ILE A 90 5.738 -2.206 3.048 1.00 0.00 N ATOM 1529 CA ILE A 90 6.818 -1.367 2.462 1.00 0.00 C ATOM 1530 C ILE A 90 7.240 -0.308 3.477 1.00 0.00 C ATOM 1531 O ILE A 90 8.395 -0.203 3.838 1.00 0.00 O ATOM 1532 CB ILE A 90 6.279 -0.707 1.189 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.873 -1.806 0.197 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.359 0.174 0.557 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.077 -1.217 -0.968 1.00 0.00 C ATOM 0 H ILE A 90 4.842 -2.150 2.564 1.00 0.00 H new ATOM 0 HA ILE A 90 7.688 -1.976 2.215 1.00 0.00 H new ATOM 0 HB ILE A 90 5.418 -0.087 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.763 -2.308 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.275 -2.561 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.966 0.639 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.656 0.949 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.225 -0.437 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.800 -2.013 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.176 -0.737 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.687 -0.480 -1.490 1.00 0.00 H new ATOM 1547 N ARG A 91 6.308 0.465 3.958 1.00 0.00 N ATOM 1548 CA ARG A 91 6.646 1.504 4.971 1.00 0.00 C ATOM 1549 C ARG A 91 7.328 0.820 6.152 1.00 0.00 C ATOM 1550 O ARG A 91 8.177 1.380 6.817 1.00 0.00 O ATOM 1551 CB ARG A 91 5.349 2.173 5.444 1.00 0.00 C ATOM 1552 CG ARG A 91 5.617 3.125 6.625 1.00 0.00 C ATOM 1553 CD ARG A 91 6.731 4.123 6.274 1.00 0.00 C ATOM 1554 NE ARG A 91 6.639 5.302 7.182 1.00 0.00 N ATOM 1555 CZ ARG A 91 7.474 6.297 7.048 1.00 0.00 C ATOM 1556 NH1 ARG A 91 8.392 6.260 6.120 1.00 0.00 N ATOM 1557 NH2 ARG A 91 7.392 7.328 7.843 1.00 0.00 N ATOM 0 H ARG A 91 5.324 0.423 3.693 1.00 0.00 H new ATOM 0 HA ARG A 91 7.309 2.256 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.900 2.728 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.630 1.410 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.704 3.665 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.902 2.549 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.706 3.647 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.637 4.441 5.236 1.00 0.00 H new ATOM 0 HE ARG A 91 5.923 5.331 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.457 5.453 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.044 7.038 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.676 7.357 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.044 8.105 7.739 1.00 0.00 H new ATOM 1571 N ASN A 92 6.943 -0.392 6.420 1.00 0.00 N ATOM 1572 CA ASN A 92 7.538 -1.135 7.568 1.00 0.00 C ATOM 1573 C ASN A 92 8.930 -1.645 7.199 1.00 0.00 C ATOM 1574 O ASN A 92 9.838 -1.621 8.006 1.00 0.00 O ATOM 1575 CB ASN A 92 6.642 -2.324 7.922 1.00 0.00 C ATOM 1576 CG ASN A 92 7.269 -3.119 9.069 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.881 -4.145 8.850 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.142 -2.685 10.293 1.00 0.00 N ATOM 0 H ASN A 92 6.238 -0.906 5.892 1.00 0.00 H new ATOM 0 HA ASN A 92 7.618 -0.464 8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.651 -1.972 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.512 -2.966 7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.557 -3.207 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.628 -1.823 10.478 1.00 0.00 H new ATOM 1585 N ARG A 93 9.112 -2.124 5.997 1.00 0.00 N ATOM 1586 CA ARG A 93 10.458 -2.647 5.612 1.00 0.00 C ATOM 1587 C ARG A 93 11.391 -1.461 5.335 1.00 0.00 C ATOM 1588 O ARG A 93 12.529 -1.444 5.759 1.00 0.00 O ATOM 1589 CB ARG A 93 10.331 -3.552 4.359 1.00 0.00 C ATOM 1590 CG ARG A 93 10.168 -5.037 4.760 1.00 0.00 C ATOM 1591 CD ARG A 93 8.796 -5.287 5.423 1.00 0.00 C ATOM 1592 NE ARG A 93 8.924 -6.391 6.417 1.00 0.00 N ATOM 1593 CZ ARG A 93 7.979 -6.598 7.294 1.00 0.00 C ATOM 1594 NH1 ARG A 93 6.923 -5.832 7.307 1.00 0.00 N ATOM 1595 NH2 ARG A 93 8.092 -7.568 8.159 1.00 0.00 N ATOM 0 H ARG A 93 8.397 -2.176 5.272 1.00 0.00 H new ATOM 0 HA ARG A 93 10.873 -3.245 6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.474 -3.236 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.215 -3.436 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.269 -5.668 3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.965 -5.321 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.445 -4.379 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.055 -5.547 4.667 1.00 0.00 H new ATOM 0 HE ARG A 93 9.752 -6.986 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.836 -5.072 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.184 -5.993 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.919 -8.165 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.353 -7.729 8.844 1.00 0.00 H new ATOM 1609 N TRP A 94 10.920 -0.470 4.635 1.00 0.00 N ATOM 1610 CA TRP A 94 11.784 0.707 4.347 1.00 0.00 C ATOM 1611 C TRP A 94 12.129 1.417 5.656 1.00 0.00 C ATOM 1612 O TRP A 94 13.241 1.858 5.859 1.00 0.00 O ATOM 1613 CB TRP A 94 11.044 1.677 3.423 1.00 0.00 C ATOM 1614 CG TRP A 94 11.961 2.796 3.047 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.999 2.692 2.185 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.946 4.179 3.505 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.620 3.924 2.083 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.007 4.872 2.876 1.00 0.00 C ATOM 1619 CE3 TRP A 94 11.121 4.892 4.393 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.243 6.226 3.122 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.355 6.254 4.642 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.414 6.919 4.008 1.00 0.00 C ATOM 0 H TRP A 94 9.977 -0.423 4.250 1.00 0.00 H new ATOM 0 HA TRP A 94 12.699 0.371 3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.701 1.156 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.158 2.069 3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 94 13.294 1.794 1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.432 4.109 1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.303 4.389 4.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.060 6.734 2.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.716 6.792 5.326 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.589 7.966 4.204 1.00 0.00 H new ATOM 1633 N MET A 95 11.184 1.529 6.548 1.00 0.00 N ATOM 1634 CA MET A 95 11.459 2.210 7.843 1.00 0.00 C ATOM 1635 C MET A 95 12.380 1.335 8.696 1.00 0.00 C ATOM 1636 O MET A 95 13.178 1.826 9.470 1.00 0.00 O ATOM 1637 CB MET A 95 10.143 2.441 8.588 1.00 0.00 C ATOM 1638 CG MET A 95 10.419 3.176 9.901 1.00 0.00 C ATOM 1639 SD MET A 95 8.851 3.693 10.644 1.00 0.00 S ATOM 1640 CE MET A 95 9.544 4.440 12.139 1.00 0.00 C ATOM 0 H MET A 95 10.233 1.178 6.435 1.00 0.00 H new ATOM 0 HA MET A 95 11.942 3.168 7.653 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.461 3.024 7.969 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.655 1.487 8.789 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.962 2.526 10.587 1.00 0.00 H new ATOM 0 HG3 MET A 95 11.051 4.045 9.718 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.737 4.832 12.757 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.097 3.686 12.700 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.216 5.252 11.862 1.00 0.00 H new ATOM 1650 N MET A 96 12.281 0.039 8.558 1.00 0.00 N ATOM 1651 CA MET A 96 13.153 -0.870 9.354 1.00 0.00 C ATOM 1652 C MET A 96 14.526 -0.945 8.692 1.00 0.00 C ATOM 1653 O MET A 96 15.541 -1.057 9.351 1.00 0.00 O ATOM 1654 CB MET A 96 12.530 -2.267 9.396 1.00 0.00 C ATOM 1655 CG MET A 96 13.356 -3.167 10.318 1.00 0.00 C ATOM 1656 SD MET A 96 12.535 -4.771 10.488 1.00 0.00 S ATOM 1657 CE MET A 96 13.256 -5.555 9.024 1.00 0.00 C ATOM 0 H MET A 96 11.631 -0.429 7.926 1.00 0.00 H new ATOM 0 HA MET A 96 13.253 -0.490 10.371 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.502 -2.208 9.754 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.494 -2.691 8.393 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.358 -3.301 9.911 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.469 -2.699 11.296 1.00 0.00 H new ATOM 0 HE1 MET A 96 12.879 -6.574 8.934 1.00 0.00 H new ATOM 0 HE2 MET A 96 12.983 -4.987 8.135 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.341 -5.578 9.121 1.00 0.00 H new ATOM 1667 N ILE A 97 14.563 -0.883 7.386 1.00 0.00 N ATOM 1668 CA ILE A 97 15.865 -0.949 6.667 1.00 0.00 C ATOM 1669 C ILE A 97 16.483 0.449 6.622 1.00 0.00 C ATOM 1670 O ILE A 97 17.687 0.607 6.644 1.00 0.00 O ATOM 1671 CB ILE A 97 15.633 -1.464 5.240 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.125 -2.911 5.300 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.947 -1.415 4.449 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.609 -3.331 3.922 1.00 0.00 C ATOM 0 H ILE A 97 13.743 -0.789 6.787 1.00 0.00 H new ATOM 0 HA ILE A 97 16.542 -1.628 7.186 1.00 0.00 H new ATOM 0 HB ILE A 97 14.893 -0.835 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.928 -3.576 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.329 -2.997 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.776 -1.782 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.308 -0.387 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.691 -2.041 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.249 -4.359 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.793 -2.673 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.417 -3.261 3.194 1.00 0.00 H new ATOM 1686 N ALA A 98 15.667 1.466 6.562 1.00 0.00 N ATOM 1687 CA ALA A 98 16.208 2.851 6.520 1.00 0.00 C ATOM 1688 C ALA A 98 16.697 3.236 7.914 1.00 0.00 C ATOM 1689 O ALA A 98 17.464 4.163 8.083 1.00 0.00 O ATOM 1690 CB ALA A 98 15.110 3.821 6.078 1.00 0.00 C ATOM 0 H ALA A 98 14.650 1.396 6.540 1.00 0.00 H new ATOM 0 HA ALA A 98 17.035 2.900 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.510 4.834 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.756 3.542 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.281 3.779 6.785 1.00 0.00 H new ATOM 1696 N ARG A 99 16.265 2.518 8.914 1.00 0.00 N ATOM 1697 CA ARG A 99 16.708 2.826 10.299 1.00 0.00 C ATOM 1698 C ARG A 99 18.145 2.352 10.455 1.00 0.00 C ATOM 1699 O ARG A 99 18.871 2.789 11.323 1.00 0.00 O ATOM 1700 CB ARG A 99 15.811 2.098 11.303 1.00 0.00 C ATOM 1701 CG ARG A 99 16.261 2.433 12.726 1.00 0.00 C ATOM 1702 CD ARG A 99 15.237 1.893 13.726 1.00 0.00 C ATOM 1703 NE ARG A 99 15.735 2.111 15.113 1.00 0.00 N ATOM 1704 CZ ARG A 99 14.941 1.912 16.131 1.00 0.00 C ATOM 1705 NH1 ARG A 99 13.712 1.521 15.934 1.00 0.00 N ATOM 1706 NH2 ARG A 99 15.378 2.102 17.346 1.00 0.00 N ATOM 0 H ARG A 99 15.623 1.730 8.829 1.00 0.00 H new ATOM 0 HA ARG A 99 16.643 3.898 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.772 2.394 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.861 1.022 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.241 1.997 12.921 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.364 3.512 12.842 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.279 2.395 13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.068 0.830 13.552 1.00 0.00 H new ATOM 0 HE ARG A 99 16.696 2.416 15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.371 1.371 14.985 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.093 1.366 16.729 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.339 2.406 17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.758 1.947 18.141 1.00 0.00 H new