USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 719 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 13 SER OG : rot -131:sc= 1.45 USER MOD Set 1.2: A 86 TYR OH : rot -123:sc= 0.985 USER MOD Set 2.1: A 18 CYS SG : rot -40:sc= -3.91! USER MOD Set 2.2: A 23 MET CE :methyl -103:sc= -17.1! (180deg=-19.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 176:sc= -5.5! (180deg=-5.74!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.958 K(o=-0.96,f=-2.6) USER MOD Single : A 26 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.3!) USER MOD Single : A 27 SER OG : rot 81:sc= 1.12 USER MOD Single : A 33 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.54) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 36:sc= 0.695 USER MOD Single : A 43 MET CE :methyl -149:sc= -15.1! (180deg=-18.1!) USER MOD Single : A 46 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.82 K(o=-2.8,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -85:sc= 0.746 USER MOD Single : A 57 THR OG1 : rot -123:sc= 0.504 USER MOD Single : A 58 GLN : amide:sc= -0.079 X(o=-0.079,f=0) USER MOD Single : A 59 GLN : amide:sc= -5.38 K(o=-5.4,f=-14!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -111:sc= -10.7! (180deg=-12.5!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 70 SER OG : rot -9:sc= 0.844 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.283 F(o=-2.7,f=-0.28) USER MOD Single : A 74 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -152:sc= 0.929 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 3.098 2.327 10.937 1.00 0.00 N ATOM 69 CA TYR A 7 3.693 1.257 10.154 1.00 0.00 C ATOM 70 C TYR A 7 3.217 -0.099 10.656 1.00 0.00 C ATOM 71 O TYR A 7 2.838 -0.966 9.869 1.00 0.00 O ATOM 72 CB TYR A 7 5.217 1.334 10.224 1.00 0.00 C ATOM 73 CG TYR A 7 5.808 2.443 9.383 1.00 0.00 C ATOM 74 CD1 TYR A 7 5.779 3.762 9.817 1.00 0.00 C ATOM 75 CD2 TYR A 7 6.395 2.169 8.154 1.00 0.00 C ATOM 76 CE1 TYR A 7 6.318 4.777 9.049 1.00 0.00 C ATOM 77 CE2 TYR A 7 6.937 3.178 7.381 1.00 0.00 C ATOM 78 CZ TYR A 7 6.895 4.480 7.833 1.00 0.00 C ATOM 79 OH TYR A 7 7.433 5.488 7.066 1.00 0.00 O ATOM 0 HA TYR A 7 3.380 1.375 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.518 1.477 11.262 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.636 0.381 9.900 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.328 3.998 10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.428 1.150 7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.287 5.798 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.391 2.948 6.428 1.00 0.00 H new ATOM 0 HH TYR A 7 7.801 5.110 6.240 1.00 0.00 H new ATOM 89 N GLU A 8 3.233 -0.273 11.974 1.00 0.00 N ATOM 90 CA GLU A 8 2.797 -1.522 12.585 1.00 0.00 C ATOM 91 C GLU A 8 1.345 -1.815 12.231 1.00 0.00 C ATOM 92 O GLU A 8 0.953 -2.973 12.087 1.00 0.00 O ATOM 93 CB GLU A 8 2.968 -1.463 14.103 1.00 0.00 C ATOM 94 CG GLU A 8 4.390 -1.737 14.562 1.00 0.00 C ATOM 95 CD GLU A 8 5.089 -0.492 15.073 1.00 0.00 C ATOM 96 OE1 GLU A 8 4.606 0.097 16.063 1.00 0.00 O ATOM 97 OE2 GLU A 8 6.120 -0.105 14.483 1.00 0.00 O ATOM 0 H GLU A 8 3.543 0.436 12.639 1.00 0.00 H new ATOM 0 HA GLU A 8 3.418 -2.328 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.663 -0.478 14.457 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.299 -2.189 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.375 -2.490 15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.961 -2.155 13.733 1.00 0.00 H new ATOM 104 N LEU A 9 0.550 -0.759 12.082 1.00 0.00 N ATOM 105 CA LEU A 9 -0.858 -0.917 11.733 1.00 0.00 C ATOM 106 C LEU A 9 -0.992 -1.608 10.384 1.00 0.00 C ATOM 107 O LEU A 9 -1.434 -2.754 10.305 1.00 0.00 O ATOM 108 CB LEU A 9 -1.563 0.440 11.696 1.00 0.00 C ATOM 109 CG LEU A 9 -1.439 1.268 12.973 1.00 0.00 C ATOM 110 CD1 LEU A 9 -1.992 2.668 12.756 1.00 0.00 C ATOM 111 CD2 LEU A 9 -2.157 0.582 14.124 1.00 0.00 C ATOM 0 H LEU A 9 0.854 0.208 12.196 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.331 -1.533 12.497 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.160 1.019 10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.621 0.277 11.488 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.383 1.352 13.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.896 3.244 13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.434 3.160 11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.044 2.605 12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.058 1.186 15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.213 0.467 13.878 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.716 -0.400 14.295 1.00 0.00 H new ATOM 123 N PHE A 10 -0.595 -0.911 9.324 1.00 0.00 N ATOM 124 CA PHE A 10 -0.662 -1.475 7.982 1.00 0.00 C ATOM 125 C PHE A 10 0.124 -2.779 7.931 1.00 0.00 C ATOM 126 O PHE A 10 -0.260 -3.730 7.250 1.00 0.00 O ATOM 127 CB PHE A 10 -0.125 -0.475 6.949 1.00 0.00 C ATOM 128 CG PHE A 10 1.350 -0.591 6.671 1.00 0.00 C ATOM 129 CD1 PHE A 10 1.837 -1.593 5.845 1.00 0.00 C ATOM 130 CD2 PHE A 10 2.247 0.304 7.230 1.00 0.00 C ATOM 131 CE1 PHE A 10 3.189 -1.700 5.584 1.00 0.00 C ATOM 132 CE2 PHE A 10 3.601 0.201 6.974 1.00 0.00 C ATOM 133 CZ PHE A 10 4.073 -0.802 6.149 1.00 0.00 C ATOM 0 H PHE A 10 -0.226 0.039 9.368 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.703 -1.684 7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.669 -0.611 6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.337 0.536 7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.151 -2.298 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.884 1.092 7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.555 -2.485 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.290 0.904 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.131 -0.883 5.947 1.00 0.00 H new ATOM 143 N MET A 11 1.225 -2.809 8.673 1.00 0.00 N ATOM 144 CA MET A 11 2.080 -3.988 8.742 1.00 0.00 C ATOM 145 C MET A 11 1.247 -5.238 8.992 1.00 0.00 C ATOM 146 O MET A 11 1.148 -6.110 8.130 1.00 0.00 O ATOM 147 CB MET A 11 3.120 -3.823 9.855 1.00 0.00 C ATOM 148 CG MET A 11 4.020 -5.035 10.041 1.00 0.00 C ATOM 149 SD MET A 11 5.593 -4.869 9.177 1.00 0.00 S ATOM 150 CE MET A 11 5.041 -4.193 7.614 1.00 0.00 C ATOM 0 H MET A 11 1.548 -2.024 9.239 1.00 0.00 H new ATOM 0 HA MET A 11 2.595 -4.096 7.787 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.739 -2.953 9.635 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.605 -3.618 10.793 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.208 -5.184 11.104 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.504 -5.925 9.681 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.906 -3.966 6.990 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.408 -4.921 7.106 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.473 -3.280 7.793 1.00 0.00 H new ATOM 160 N LYS A 12 0.641 -5.314 10.173 1.00 0.00 N ATOM 161 CA LYS A 12 -0.191 -6.456 10.529 1.00 0.00 C ATOM 162 C LYS A 12 -1.284 -6.676 9.486 1.00 0.00 C ATOM 163 O LYS A 12 -1.797 -7.784 9.334 1.00 0.00 O ATOM 164 CB LYS A 12 -0.816 -6.247 11.910 1.00 0.00 C ATOM 165 CG LYS A 12 0.207 -5.994 13.006 1.00 0.00 C ATOM 166 CD LYS A 12 0.560 -7.274 13.748 1.00 0.00 C ATOM 167 CE LYS A 12 -0.046 -7.296 15.143 1.00 0.00 C ATOM 168 NZ LYS A 12 0.780 -6.535 16.120 1.00 0.00 N ATOM 0 H LYS A 12 0.711 -4.599 10.898 1.00 0.00 H new ATOM 0 HA LYS A 12 0.442 -7.343 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.505 -5.403 11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.406 -7.126 12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.109 -5.565 12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.187 -5.261 13.710 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.203 -8.134 13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.644 -7.367 13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.050 -6.873 15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.146 -8.328 15.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.333 -6.575 17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.730 -6.954 16.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.855 -5.544 15.814 1.00 0.00 H new ATOM 182 N SER A 13 -1.632 -5.611 8.769 1.00 0.00 N ATOM 183 CA SER A 13 -2.660 -5.681 7.738 1.00 0.00 C ATOM 184 C SER A 13 -2.151 -6.423 6.503 1.00 0.00 C ATOM 185 O SER A 13 -2.739 -7.418 6.079 1.00 0.00 O ATOM 186 CB SER A 13 -3.111 -4.269 7.356 1.00 0.00 C ATOM 187 OG SER A 13 -4.399 -3.987 7.873 1.00 0.00 O ATOM 0 H SER A 13 -1.215 -4.687 8.885 1.00 0.00 H new ATOM 0 HA SER A 13 -3.509 -6.235 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.396 -3.540 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.122 -4.169 6.271 1.00 0.00 H new ATOM 0 HG SER A 13 -4.966 -3.626 7.160 1.00 0.00 H new ATOM 193 N LEU A 14 -1.056 -5.931 5.929 1.00 0.00 N ATOM 194 CA LEU A 14 -0.465 -6.539 4.744 1.00 0.00 C ATOM 195 C LEU A 14 -0.204 -8.035 4.956 1.00 0.00 C ATOM 196 O LEU A 14 -0.749 -8.875 4.240 1.00 0.00 O ATOM 197 CB LEU A 14 0.846 -5.820 4.404 1.00 0.00 C ATOM 198 CG LEU A 14 1.861 -6.596 3.555 1.00 0.00 C ATOM 199 CD1 LEU A 14 2.685 -7.536 4.412 1.00 0.00 C ATOM 200 CD2 LEU A 14 1.193 -7.367 2.433 1.00 0.00 C ATOM 0 H LEU A 14 -0.559 -5.108 6.269 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.167 -6.438 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.601 -4.896 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.331 -5.537 5.339 1.00 0.00 H new ATOM 0 HG LEU A 14 2.524 -5.857 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.396 -8.073 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.227 -6.962 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.026 -8.250 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.949 -7.901 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.485 -8.081 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.664 -6.673 1.780 1.00 0.00 H new ATOM 212 N ILE A 15 0.659 -8.360 5.921 1.00 0.00 N ATOM 213 CA ILE A 15 1.017 -9.755 6.187 1.00 0.00 C ATOM 214 C ILE A 15 -0.209 -10.645 6.254 1.00 0.00 C ATOM 215 O ILE A 15 -0.314 -11.620 5.511 1.00 0.00 O ATOM 216 CB ILE A 15 1.853 -9.939 7.474 1.00 0.00 C ATOM 217 CG1 ILE A 15 1.807 -8.694 8.363 1.00 0.00 C ATOM 218 CG2 ILE A 15 3.286 -10.276 7.102 1.00 0.00 C ATOM 219 CD1 ILE A 15 2.337 -8.929 9.760 1.00 0.00 C ATOM 0 H ILE A 15 1.120 -7.682 6.527 1.00 0.00 H new ATOM 0 HA ILE A 15 1.639 -10.054 5.343 1.00 0.00 H new ATOM 0 HB ILE A 15 1.422 -10.760 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.386 -7.900 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.778 -8.342 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.876 -10.406 8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.304 -11.199 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.708 -9.466 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.274 -8.004 10.333 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.743 -9.701 10.249 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.377 -9.252 9.705 1.00 0.00 H new ATOM 231 N GLU A 16 -1.149 -10.302 7.124 1.00 0.00 N ATOM 232 CA GLU A 16 -2.370 -11.071 7.245 1.00 0.00 C ATOM 233 C GLU A 16 -2.939 -11.361 5.858 1.00 0.00 C ATOM 234 O GLU A 16 -3.585 -12.381 5.640 1.00 0.00 O ATOM 235 CB GLU A 16 -3.378 -10.299 8.088 1.00 0.00 C ATOM 236 CG GLU A 16 -4.133 -11.165 9.075 1.00 0.00 C ATOM 237 CD GLU A 16 -5.368 -11.803 8.470 1.00 0.00 C ATOM 238 OE1 GLU A 16 -6.300 -11.059 8.101 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.403 -13.047 8.365 1.00 0.00 O ATOM 0 H GLU A 16 -1.086 -9.500 7.751 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.156 -12.020 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.856 -9.512 8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.093 -9.809 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.471 -11.947 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.425 -10.560 9.933 1.00 0.00 H new ATOM 246 N ASN A 17 -2.665 -10.451 4.923 1.00 0.00 N ATOM 247 CA ASN A 17 -3.117 -10.585 3.546 1.00 0.00 C ATOM 248 C ASN A 17 -2.249 -11.568 2.775 1.00 0.00 C ATOM 249 O ASN A 17 -2.758 -12.437 2.074 1.00 0.00 O ATOM 250 CB ASN A 17 -3.098 -9.230 2.868 1.00 0.00 C ATOM 251 CG ASN A 17 -4.150 -9.107 1.784 1.00 0.00 C ATOM 252 OD1 ASN A 17 -5.295 -8.743 2.052 1.00 0.00 O ATOM 253 ND2 ASN A 17 -3.766 -9.413 0.550 1.00 0.00 N ATOM 0 H ASN A 17 -2.125 -9.604 5.102 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.136 -10.973 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.258 -8.452 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.113 -9.058 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.431 -9.351 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.806 -9.710 0.373 1.00 0.00 H new ATOM 260 N CYS A 18 -0.934 -11.438 2.913 1.00 0.00 N ATOM 261 CA CYS A 18 -0.021 -12.341 2.230 1.00 0.00 C ATOM 262 C CYS A 18 -0.286 -13.769 2.680 1.00 0.00 C ATOM 263 O CYS A 18 -0.339 -14.687 1.865 1.00 0.00 O ATOM 264 CB CYS A 18 1.442 -11.943 2.490 1.00 0.00 C ATOM 265 SG CYS A 18 2.072 -12.366 4.133 1.00 0.00 S ATOM 0 H CYS A 18 -0.482 -10.724 3.485 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.192 -12.272 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.072 -12.424 1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.541 -10.867 2.346 1.00 0.00 H new ATOM 0 HG CYS A 18 1.151 -12.140 5.022 1.00 0.00 H new ATOM 271 N LYS A 19 -0.463 -13.943 3.985 1.00 0.00 N ATOM 272 CA LYS A 19 -0.729 -15.256 4.554 1.00 0.00 C ATOM 273 C LYS A 19 -2.169 -15.690 4.306 1.00 0.00 C ATOM 274 O LYS A 19 -2.478 -16.881 4.358 1.00 0.00 O ATOM 275 CB LYS A 19 -0.436 -15.251 6.054 1.00 0.00 C ATOM 276 CG LYS A 19 1.048 -15.243 6.383 1.00 0.00 C ATOM 277 CD LYS A 19 1.298 -15.601 7.839 1.00 0.00 C ATOM 278 CE LYS A 19 1.045 -14.414 8.755 1.00 0.00 C ATOM 279 NZ LYS A 19 0.513 -14.838 10.080 1.00 0.00 N ATOM 0 H LYS A 19 -0.427 -13.188 4.669 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.071 -15.972 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.904 -14.376 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.896 -16.128 6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.568 -15.952 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.463 -14.257 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.651 -16.429 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.326 -15.943 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.973 -13.861 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.338 -13.734 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.354 -14.000 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.386 -15.344 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.199 -15.467 10.544 1.00 0.00 H new ATOM 293 N LYS A 20 -3.055 -14.732 4.038 1.00 0.00 N ATOM 294 CA LYS A 20 -4.452 -15.065 3.790 1.00 0.00 C ATOM 295 C LYS A 20 -4.732 -15.203 2.301 1.00 0.00 C ATOM 296 O LYS A 20 -5.651 -15.916 1.897 1.00 0.00 O ATOM 297 CB LYS A 20 -5.397 -14.033 4.427 1.00 0.00 C ATOM 298 CG LYS A 20 -5.463 -12.697 3.688 1.00 0.00 C ATOM 299 CD LYS A 20 -6.825 -12.480 3.047 1.00 0.00 C ATOM 300 CE LYS A 20 -6.806 -12.826 1.567 1.00 0.00 C ATOM 301 NZ LYS A 20 -8.063 -12.413 0.883 1.00 0.00 N ATOM 0 H LYS A 20 -2.834 -13.737 3.988 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.643 -16.030 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.400 -14.458 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.078 -13.851 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.254 -11.885 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.690 -12.666 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.569 -13.093 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.127 -11.440 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.956 -12.337 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.664 -13.900 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.010 -12.667 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.872 -12.899 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.186 -11.384 0.975 1.00 0.00 H new ATOM 315 N ARG A 21 -3.918 -14.548 1.489 1.00 0.00 N ATOM 316 CA ARG A 21 -4.064 -14.632 0.046 1.00 0.00 C ATOM 317 C ARG A 21 -3.263 -15.820 -0.485 1.00 0.00 C ATOM 318 O ARG A 21 -3.058 -15.959 -1.690 1.00 0.00 O ATOM 319 CB ARG A 21 -3.593 -13.335 -0.612 1.00 0.00 C ATOM 320 CG ARG A 21 -4.180 -13.106 -1.994 1.00 0.00 C ATOM 321 CD ARG A 21 -3.248 -13.609 -3.082 1.00 0.00 C ATOM 322 NE ARG A 21 -3.922 -14.517 -4.006 1.00 0.00 N ATOM 323 CZ ARG A 21 -4.717 -14.113 -4.994 1.00 0.00 C ATOM 324 NH1 ARG A 21 -4.941 -12.819 -5.188 1.00 0.00 N ATOM 325 NH2 ARG A 21 -5.290 -15.005 -5.791 1.00 0.00 N ATOM 0 H ARG A 21 -3.151 -13.954 1.804 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.117 -14.777 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.858 -12.495 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.506 -13.349 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.141 -13.615 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.370 -12.042 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.847 -12.760 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.401 -14.120 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.775 -15.519 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.503 -12.129 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.551 -12.515 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.121 -16.001 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.899 -14.695 -6.548 1.00 0.00 H new ATOM 339 N ASN A 22 -2.809 -16.673 0.437 1.00 0.00 N ATOM 340 CA ASN A 22 -2.027 -17.850 0.098 1.00 0.00 C ATOM 341 C ASN A 22 -0.648 -17.455 -0.387 1.00 0.00 C ATOM 342 O ASN A 22 -0.235 -17.793 -1.497 1.00 0.00 O ATOM 343 CB ASN A 22 -2.753 -18.698 -0.937 1.00 0.00 C ATOM 344 CG ASN A 22 -1.943 -19.898 -1.390 1.00 0.00 C ATOM 345 OD1 ASN A 22 -0.962 -20.277 -0.750 1.00 0.00 O ATOM 346 ND2 ASN A 22 -2.351 -20.503 -2.499 1.00 0.00 N ATOM 0 H ASN A 22 -2.977 -16.561 1.437 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.905 -18.453 0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.699 -19.042 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.993 -18.080 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.846 -21.316 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.170 -20.155 -2.998 1.00 0.00 H new ATOM 353 N MET A 23 0.062 -16.747 0.477 1.00 0.00 N ATOM 354 CA MET A 23 1.416 -16.298 0.186 1.00 0.00 C ATOM 355 C MET A 23 1.575 -15.811 -1.254 1.00 0.00 C ATOM 356 O MET A 23 2.222 -16.465 -2.072 1.00 0.00 O ATOM 357 CB MET A 23 2.396 -17.432 0.443 1.00 0.00 C ATOM 358 CG MET A 23 2.597 -17.774 1.910 1.00 0.00 C ATOM 359 SD MET A 23 3.433 -16.466 2.820 1.00 0.00 S ATOM 360 CE MET A 23 2.084 -15.310 2.994 1.00 0.00 C ATOM 0 H MET A 23 -0.281 -16.468 1.396 1.00 0.00 H new ATOM 0 HA MET A 23 1.624 -15.454 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.046 -18.322 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.360 -17.166 0.010 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.628 -17.968 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.177 -18.693 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.209 -14.495 2.281 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.140 -15.820 2.801 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.078 -14.907 4.007 1.00 0.00 H new ATOM 370 N PRO A 24 1.004 -14.644 -1.578 1.00 0.00 N ATOM 371 CA PRO A 24 1.104 -14.060 -2.920 1.00 0.00 C ATOM 372 C PRO A 24 2.502 -13.517 -3.218 1.00 0.00 C ATOM 373 O PRO A 24 2.653 -12.532 -3.939 1.00 0.00 O ATOM 374 CB PRO A 24 0.096 -12.913 -2.876 1.00 0.00 C ATOM 375 CG PRO A 24 0.036 -12.524 -1.439 1.00 0.00 C ATOM 376 CD PRO A 24 0.224 -13.798 -0.661 1.00 0.00 C ATOM 0 HA PRO A 24 0.910 -14.797 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.417 -12.079 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.881 -13.229 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.814 -11.800 -1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.920 -12.057 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.755 -13.623 0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.731 -14.257 -0.404 1.00 0.00 H new ATOM 384 N LEU A 25 3.520 -14.160 -2.654 1.00 0.00 N ATOM 385 CA LEU A 25 4.901 -13.737 -2.851 1.00 0.00 C ATOM 386 C LEU A 25 5.868 -14.872 -2.527 1.00 0.00 C ATOM 387 O LEU A 25 6.895 -15.033 -3.186 1.00 0.00 O ATOM 388 CB LEU A 25 5.217 -12.518 -1.974 1.00 0.00 C ATOM 389 CG LEU A 25 4.444 -12.436 -0.650 1.00 0.00 C ATOM 390 CD1 LEU A 25 5.261 -13.028 0.487 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.072 -10.994 -0.341 1.00 0.00 C ATOM 0 H LEU A 25 3.413 -14.979 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 25 5.024 -13.464 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.284 -12.519 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.013 -11.615 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 25 3.528 -13.017 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.695 -12.960 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.480 -14.074 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.195 -12.476 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.525 -10.953 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.978 -10.394 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.446 -10.600 -1.142 1.00 0.00 H new ATOM 403 N GLN A 26 5.534 -15.647 -1.494 1.00 0.00 N ATOM 404 CA GLN A 26 6.361 -16.767 -1.051 1.00 0.00 C ATOM 405 C GLN A 26 7.582 -16.272 -0.280 1.00 0.00 C ATOM 406 O GLN A 26 8.407 -17.066 0.170 1.00 0.00 O ATOM 407 CB GLN A 26 6.793 -17.638 -2.237 1.00 0.00 C ATOM 408 CG GLN A 26 6.091 -18.983 -2.283 1.00 0.00 C ATOM 409 CD GLN A 26 6.980 -20.089 -2.815 1.00 0.00 C ATOM 410 OE1 GLN A 26 8.146 -19.863 -3.137 1.00 0.00 O ATOM 411 NE2 GLN A 26 6.431 -21.295 -2.912 1.00 0.00 N ATOM 0 H GLN A 26 4.685 -15.516 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 26 5.757 -17.380 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.594 -17.101 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.870 -17.800 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.752 -19.246 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.203 -18.903 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.460 -21.437 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.980 -22.079 -3.265 1.00 0.00 H new ATOM 420 N SER A 27 7.683 -14.951 -0.128 1.00 0.00 N ATOM 421 CA SER A 27 8.791 -14.330 0.588 1.00 0.00 C ATOM 422 C SER A 27 8.842 -12.834 0.301 1.00 0.00 C ATOM 423 O SER A 27 9.128 -12.418 -0.822 1.00 0.00 O ATOM 424 CB SER A 27 10.116 -14.969 0.184 1.00 0.00 C ATOM 425 OG SER A 27 10.467 -16.023 1.064 1.00 0.00 O ATOM 0 H SER A 27 7.002 -14.287 -0.496 1.00 0.00 H new ATOM 0 HA SER A 27 8.630 -14.485 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.043 -15.351 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.902 -14.214 0.185 1.00 0.00 H new ATOM 0 HG SER A 27 9.977 -16.834 0.815 1.00 0.00 H new ATOM 431 N ILE A 28 8.568 -12.027 1.320 1.00 0.00 N ATOM 432 CA ILE A 28 8.587 -10.579 1.175 1.00 0.00 C ATOM 433 C ILE A 28 9.887 -10.104 0.529 1.00 0.00 C ATOM 434 O ILE A 28 10.976 -10.418 1.008 1.00 0.00 O ATOM 435 CB ILE A 28 8.422 -9.893 2.540 1.00 0.00 C ATOM 436 CG1 ILE A 28 7.196 -10.456 3.258 1.00 0.00 C ATOM 437 CG2 ILE A 28 8.305 -8.384 2.376 1.00 0.00 C ATOM 438 CD1 ILE A 28 7.535 -11.418 4.373 1.00 0.00 C ATOM 0 H ILE A 28 8.330 -12.353 2.257 1.00 0.00 H new ATOM 0 HA ILE A 28 7.752 -10.308 0.529 1.00 0.00 H new ATOM 0 HB ILE A 28 9.307 -10.095 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.614 -9.630 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.562 -10.964 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.189 -7.920 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.205 -7.999 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.437 -8.151 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.616 -11.776 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.091 -12.264 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.144 -10.909 5.120 1.00 0.00 H new ATOM 450 N PRO A 29 9.793 -9.343 -0.577 1.00 0.00 N ATOM 451 CA PRO A 29 10.961 -8.837 -1.286 1.00 0.00 C ATOM 452 C PRO A 29 11.424 -7.484 -0.768 1.00 0.00 C ATOM 453 O PRO A 29 12.150 -6.766 -1.457 1.00 0.00 O ATOM 454 CB PRO A 29 10.437 -8.714 -2.710 1.00 0.00 C ATOM 455 CG PRO A 29 9.008 -8.319 -2.542 1.00 0.00 C ATOM 456 CD PRO A 29 8.542 -8.921 -1.236 1.00 0.00 C ATOM 0 HA PRO A 29 11.832 -9.482 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.993 -7.966 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.529 -9.656 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.906 -7.234 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.405 -8.684 -3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.997 -8.195 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.872 -9.765 -1.401 1.00 0.00 H new ATOM 464 N GLU A 30 10.996 -7.151 0.449 1.00 0.00 N ATOM 465 CA GLU A 30 11.345 -5.882 1.100 1.00 0.00 C ATOM 466 C GLU A 30 11.896 -4.865 0.104 1.00 0.00 C ATOM 467 O GLU A 30 13.107 -4.667 0.004 1.00 0.00 O ATOM 468 CB GLU A 30 12.365 -6.121 2.216 1.00 0.00 C ATOM 469 CG GLU A 30 11.827 -6.958 3.364 1.00 0.00 C ATOM 470 CD GLU A 30 12.650 -6.810 4.628 1.00 0.00 C ATOM 471 OE1 GLU A 30 13.399 -5.816 4.735 1.00 0.00 O ATOM 472 OE2 GLU A 30 12.546 -7.687 5.511 1.00 0.00 O ATOM 0 H GLU A 30 10.397 -7.752 1.015 1.00 0.00 H new ATOM 0 HA GLU A 30 10.429 -5.471 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.241 -6.616 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.698 -5.159 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.797 -6.667 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.809 -8.007 3.067 1.00 0.00 H new ATOM 479 N ILE A 31 10.995 -4.236 -0.634 1.00 0.00 N ATOM 480 CA ILE A 31 11.378 -3.247 -1.635 1.00 0.00 C ATOM 481 C ILE A 31 11.518 -1.867 -1.002 1.00 0.00 C ATOM 482 O ILE A 31 10.560 -1.097 -0.941 1.00 0.00 O ATOM 483 CB ILE A 31 10.360 -3.181 -2.802 1.00 0.00 C ATOM 484 CG1 ILE A 31 9.459 -4.423 -2.812 1.00 0.00 C ATOM 485 CG2 ILE A 31 11.088 -3.048 -4.135 1.00 0.00 C ATOM 486 CD1 ILE A 31 8.179 -4.252 -2.024 1.00 0.00 C ATOM 0 H ILE A 31 9.990 -4.392 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 31 12.340 -3.560 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 31 9.732 -2.303 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.210 -4.672 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.015 -5.268 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.359 -3.003 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.686 -2.137 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.740 -3.909 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.594 -5.170 -2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.419 -4.034 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.601 -3.429 -2.443 1.00 0.00 H new ATOM 498 N GLY A 32 12.723 -1.569 -0.525 1.00 0.00 N ATOM 499 CA GLY A 32 12.981 -0.288 0.108 1.00 0.00 C ATOM 500 C GLY A 32 14.269 -0.289 0.911 1.00 0.00 C ATOM 501 O GLY A 32 14.877 0.760 1.123 1.00 0.00 O ATOM 0 H GLY A 32 13.528 -2.194 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.033 0.488 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.148 -0.035 0.763 1.00 0.00 H new ATOM 505 N ASN A 33 14.690 -1.473 1.355 1.00 0.00 N ATOM 506 CA ASN A 33 15.916 -1.618 2.134 1.00 0.00 C ATOM 507 C ASN A 33 15.729 -1.117 3.564 1.00 0.00 C ATOM 508 O ASN A 33 16.189 -0.032 3.918 1.00 0.00 O ATOM 509 CB ASN A 33 17.066 -0.867 1.462 1.00 0.00 C ATOM 510 CG ASN A 33 18.407 -1.536 1.692 1.00 0.00 C ATOM 511 OD1 ASN A 33 18.530 -2.757 1.597 1.00 0.00 O ATOM 512 ND2 ASN A 33 19.423 -0.736 1.999 1.00 0.00 N ATOM 0 H ASN A 33 14.196 -2.349 1.186 1.00 0.00 H new ATOM 0 HA ASN A 33 16.159 -2.680 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.876 -0.800 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.102 0.153 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.349 -1.129 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 33 19.277 0.271 2.067 1.00 0.00 H new ATOM 519 N ARG A 34 15.058 -1.922 4.383 1.00 0.00 N ATOM 520 CA ARG A 34 14.815 -1.572 5.780 1.00 0.00 C ATOM 521 C ARG A 34 13.907 -2.601 6.450 1.00 0.00 C ATOM 522 O ARG A 34 14.309 -3.267 7.404 1.00 0.00 O ATOM 523 CB ARG A 34 14.200 -0.172 5.895 1.00 0.00 C ATOM 524 CG ARG A 34 13.145 0.130 4.841 1.00 0.00 C ATOM 525 CD ARG A 34 11.763 0.269 5.461 1.00 0.00 C ATOM 526 NE ARG A 34 11.417 1.666 5.715 1.00 0.00 N ATOM 527 CZ ARG A 34 10.636 2.071 6.716 1.00 0.00 C ATOM 528 NH1 ARG A 34 10.106 1.192 7.558 1.00 0.00 N ATOM 529 NH2 ARG A 34 10.381 3.363 6.873 1.00 0.00 N ATOM 0 H ARG A 34 14.672 -2.824 4.103 1.00 0.00 H new ATOM 0 HA ARG A 34 15.777 -1.571 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.753 -0.063 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.995 0.570 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.405 1.050 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.133 -0.667 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.021 -0.174 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.727 -0.290 6.396 1.00 0.00 H new ATOM 0 HE ARG A 34 11.797 2.375 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.295 0.196 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.510 1.512 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.782 4.044 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.784 3.676 7.638 1.00 0.00 H new ATOM 543 N LYS A 35 12.682 -2.729 5.943 1.00 0.00 N ATOM 544 CA LYS A 35 11.714 -3.679 6.490 1.00 0.00 C ATOM 545 C LYS A 35 10.328 -3.430 5.904 1.00 0.00 C ATOM 546 O LYS A 35 9.621 -2.517 6.330 1.00 0.00 O ATOM 547 CB LYS A 35 11.660 -3.579 8.019 1.00 0.00 C ATOM 548 CG LYS A 35 12.097 -4.852 8.726 1.00 0.00 C ATOM 549 CD LYS A 35 11.200 -5.169 9.913 1.00 0.00 C ATOM 550 CE LYS A 35 10.906 -6.657 10.008 1.00 0.00 C ATOM 551 NZ LYS A 35 10.707 -7.096 11.416 1.00 0.00 N ATOM 0 H LYS A 35 12.335 -2.186 5.152 1.00 0.00 H new ATOM 0 HA LYS A 35 12.037 -4.684 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.296 -2.756 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.642 -3.335 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.078 -5.684 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.127 -4.745 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.679 -4.832 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.264 -4.617 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.014 -6.888 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.729 -7.218 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.509 -8.117 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.567 -6.899 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.905 -6.579 11.831 1.00 0.00 H new ATOM 565 N ILE A 36 9.946 -4.252 4.928 1.00 0.00 N ATOM 566 CA ILE A 36 8.646 -4.133 4.277 1.00 0.00 C ATOM 567 C ILE A 36 8.274 -2.673 4.015 1.00 0.00 C ATOM 568 O ILE A 36 7.490 -2.079 4.755 1.00 0.00 O ATOM 569 CB ILE A 36 7.542 -4.800 5.120 1.00 0.00 C ATOM 570 CG1 ILE A 36 7.849 -6.282 5.319 1.00 0.00 C ATOM 571 CG2 ILE A 36 6.180 -4.631 4.464 1.00 0.00 C ATOM 572 CD1 ILE A 36 6.860 -6.983 6.222 1.00 0.00 C ATOM 0 H ILE A 36 10.524 -5.012 4.570 1.00 0.00 H new ATOM 0 HA ILE A 36 8.726 -4.646 3.319 1.00 0.00 H new ATOM 0 HB ILE A 36 7.517 -4.310 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.858 -6.777 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.850 -6.385 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.418 -5.111 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.952 -3.570 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.192 -5.092 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.137 -8.033 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.868 -6.512 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.861 -6.910 5.793 1.00 0.00 H new ATOM 584 N ASN A 37 8.825 -2.111 2.946 1.00 0.00 N ATOM 585 CA ASN A 37 8.534 -0.731 2.573 1.00 0.00 C ATOM 586 C ASN A 37 7.519 -0.690 1.431 1.00 0.00 C ATOM 587 O ASN A 37 7.250 0.367 0.860 1.00 0.00 O ATOM 588 CB ASN A 37 9.818 -0.008 2.160 1.00 0.00 C ATOM 589 CG ASN A 37 9.822 1.448 2.582 1.00 0.00 C ATOM 590 OD1 ASN A 37 9.544 1.773 3.737 1.00 0.00 O ATOM 591 ND2 ASN A 37 10.139 2.336 1.646 1.00 0.00 N ATOM 0 H ASN A 37 9.475 -2.589 2.322 1.00 0.00 H new ATOM 0 HA ASN A 37 8.108 -0.223 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.676 -0.514 2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.935 -0.070 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.159 3.330 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.363 2.023 0.701 1.00 0.00 H new ATOM 598 N LEU A 38 6.966 -1.857 1.103 1.00 0.00 N ATOM 599 CA LEU A 38 5.984 -1.982 0.028 1.00 0.00 C ATOM 600 C LEU A 38 4.867 -0.946 0.148 1.00 0.00 C ATOM 601 O LEU A 38 4.234 -0.592 -0.847 1.00 0.00 O ATOM 602 CB LEU A 38 5.379 -3.388 0.008 1.00 0.00 C ATOM 603 CG LEU A 38 5.370 -4.116 1.354 1.00 0.00 C ATOM 604 CD1 LEU A 38 3.989 -4.664 1.656 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.414 -5.228 1.370 1.00 0.00 C ATOM 0 H LEU A 38 7.184 -2.736 1.571 1.00 0.00 H new ATOM 0 HA LEU A 38 6.514 -1.801 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.354 -3.319 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.932 -3.993 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 38 5.627 -3.400 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.004 -5.178 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.272 -3.844 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.697 -5.365 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.392 -5.734 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.194 -5.945 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.403 -4.801 1.207 1.00 0.00 H new ATOM 617 N PHE A 39 4.619 -0.465 1.362 1.00 0.00 N ATOM 618 CA PHE A 39 3.568 0.523 1.579 1.00 0.00 C ATOM 619 C PHE A 39 4.037 1.926 1.184 1.00 0.00 C ATOM 620 O PHE A 39 3.261 2.715 0.647 1.00 0.00 O ATOM 621 CB PHE A 39 3.100 0.500 3.038 1.00 0.00 C ATOM 622 CG PHE A 39 1.610 0.317 3.192 1.00 0.00 C ATOM 623 CD1 PHE A 39 0.965 -0.790 2.651 1.00 0.00 C ATOM 624 CD2 PHE A 39 0.855 1.254 3.879 1.00 0.00 C ATOM 625 CE1 PHE A 39 -0.405 -0.953 2.796 1.00 0.00 C ATOM 626 CE2 PHE A 39 -0.510 1.095 4.026 1.00 0.00 C ATOM 627 CZ PHE A 39 -1.140 -0.009 3.484 1.00 0.00 C ATOM 0 H PHE A 39 5.126 -0.740 2.203 1.00 0.00 H new ATOM 0 HA PHE A 39 2.724 0.261 0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.613 -0.306 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.395 1.432 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.537 -1.531 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.340 2.120 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.895 -1.817 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.085 1.834 4.565 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.207 -0.133 3.599 1.00 0.00 H new ATOM 637 N TYR A 40 5.309 2.230 1.440 1.00 0.00 N ATOM 638 CA TYR A 40 5.864 3.540 1.094 1.00 0.00 C ATOM 639 C TYR A 40 5.760 3.782 -0.410 1.00 0.00 C ATOM 640 O TYR A 40 4.951 4.600 -0.873 1.00 0.00 O ATOM 641 CB TYR A 40 7.322 3.640 1.542 1.00 0.00 C ATOM 642 CG TYR A 40 7.876 5.046 1.492 1.00 0.00 C ATOM 643 CD1 TYR A 40 8.231 5.630 0.283 1.00 0.00 C ATOM 644 CD2 TYR A 40 8.042 5.790 2.654 1.00 0.00 C ATOM 645 CE1 TYR A 40 8.736 6.916 0.233 1.00 0.00 C ATOM 646 CE2 TYR A 40 8.546 7.076 2.612 1.00 0.00 C ATOM 647 CZ TYR A 40 8.891 7.634 1.400 1.00 0.00 C ATOM 648 OH TYR A 40 9.394 8.914 1.354 1.00 0.00 O ATOM 0 H TYR A 40 5.971 1.593 1.883 1.00 0.00 H new ATOM 0 HA TYR A 40 5.286 4.305 1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.407 3.261 2.560 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.933 2.995 0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.111 5.071 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.773 5.356 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.008 7.356 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.669 7.641 3.524 1.00 0.00 H new ATOM 0 HH TYR A 40 9.439 9.281 2.262 1.00 0.00 H new ATOM 658 N LEU A 41 6.555 3.046 -1.187 1.00 0.00 N ATOM 659 CA LEU A 41 6.506 3.177 -2.638 1.00 0.00 C ATOM 660 C LEU A 41 5.057 3.083 -3.098 1.00 0.00 C ATOM 661 O LEU A 41 4.673 3.630 -4.133 1.00 0.00 O ATOM 662 CB LEU A 41 7.354 2.101 -3.314 1.00 0.00 C ATOM 663 CG LEU A 41 6.667 0.747 -3.497 1.00 0.00 C ATOM 664 CD1 LEU A 41 7.123 0.084 -4.787 1.00 0.00 C ATOM 665 CD2 LEU A 41 6.979 -0.139 -2.309 1.00 0.00 C ATOM 0 H LEU A 41 7.230 2.364 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 41 6.917 4.146 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.664 2.468 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.260 1.954 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 41 5.590 0.900 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.623 -0.878 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.872 0.724 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.202 -0.070 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.490 -1.105 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.057 -0.284 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.615 0.334 -1.397 1.00 0.00 H new ATOM 677 N TYR A 42 4.246 2.408 -2.297 1.00 0.00 N ATOM 678 CA TYR A 42 2.846 2.285 -2.602 1.00 0.00 C ATOM 679 C TYR A 42 2.202 3.669 -2.461 1.00 0.00 C ATOM 680 O TYR A 42 1.526 4.148 -3.366 1.00 0.00 O ATOM 681 CB TYR A 42 2.195 1.225 -1.697 1.00 0.00 C ATOM 682 CG TYR A 42 0.764 1.523 -1.282 1.00 0.00 C ATOM 683 CD1 TYR A 42 -0.081 2.210 -2.131 1.00 0.00 C ATOM 684 CD2 TYR A 42 0.265 1.130 -0.048 1.00 0.00 C ATOM 685 CE1 TYR A 42 -1.370 2.507 -1.786 1.00 0.00 C ATOM 686 CE2 TYR A 42 -1.040 1.419 0.315 1.00 0.00 C ATOM 687 CZ TYR A 42 -1.854 2.111 -0.559 1.00 0.00 C ATOM 688 OH TYR A 42 -3.150 2.407 -0.203 1.00 0.00 O ATOM 0 H TYR A 42 4.540 1.943 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 42 2.697 1.942 -3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.215 0.266 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.802 1.114 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.288 2.522 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.902 0.592 0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.005 3.049 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.419 1.105 1.276 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.726 2.357 -0.994 1.00 0.00 H new ATOM 698 N MET A 43 2.447 4.343 -1.343 1.00 0.00 N ATOM 699 CA MET A 43 1.907 5.688 -1.149 1.00 0.00 C ATOM 700 C MET A 43 2.048 6.497 -2.437 1.00 0.00 C ATOM 701 O MET A 43 1.250 7.391 -2.719 1.00 0.00 O ATOM 702 CB MET A 43 2.627 6.392 0.000 1.00 0.00 C ATOM 703 CG MET A 43 1.844 6.376 1.299 1.00 0.00 C ATOM 704 SD MET A 43 1.695 4.724 2.002 1.00 0.00 S ATOM 705 CE MET A 43 0.523 3.979 0.870 1.00 0.00 C ATOM 0 H MET A 43 3.007 3.989 -0.567 1.00 0.00 H new ATOM 0 HA MET A 43 0.850 5.608 -0.895 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.594 5.914 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.825 7.426 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.332 7.031 2.021 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.848 6.782 1.123 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.078 3.242 1.402 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.128 4.751 0.461 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.062 3.491 0.058 1.00 0.00 H new ATOM 715 N LEU A 44 3.070 6.155 -3.218 1.00 0.00 N ATOM 716 CA LEU A 44 3.328 6.826 -4.491 1.00 0.00 C ATOM 717 C LEU A 44 2.443 6.282 -5.614 1.00 0.00 C ATOM 718 O LEU A 44 2.013 7.038 -6.485 1.00 0.00 O ATOM 719 CB LEU A 44 4.791 6.678 -4.898 1.00 0.00 C ATOM 720 CG LEU A 44 5.728 6.186 -3.806 1.00 0.00 C ATOM 721 CD1 LEU A 44 7.160 6.132 -4.305 1.00 0.00 C ATOM 722 CD2 LEU A 44 5.619 7.061 -2.565 1.00 0.00 C ATOM 0 H LEU A 44 3.735 5.415 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 44 3.092 7.880 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.848 5.988 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.151 7.644 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 44 5.428 5.174 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.811 5.777 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.224 5.452 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.475 7.129 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.298 6.690 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.884 8.087 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.596 7.033 -2.189 1.00 0.00 H new ATOM 734 N VAL A 45 2.156 4.975 -5.594 1.00 0.00 N ATOM 735 CA VAL A 45 1.301 4.383 -6.632 1.00 0.00 C ATOM 736 C VAL A 45 -0.013 5.141 -6.686 1.00 0.00 C ATOM 737 O VAL A 45 -0.701 5.153 -7.706 1.00 0.00 O ATOM 738 CB VAL A 45 1.012 2.878 -6.407 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.689 2.604 -4.977 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.135 2.401 -7.270 1.00 0.00 C ATOM 0 H VAL A 45 2.493 4.320 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 45 1.844 4.463 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 45 1.916 2.336 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.490 1.540 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.533 2.895 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.192 3.176 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.311 1.341 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.034 2.966 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.113 2.552 -8.321 1.00 0.00 H new ATOM 750 N GLN A 46 -0.334 5.791 -5.569 1.00 0.00 N ATOM 751 CA GLN A 46 -1.552 6.591 -5.455 1.00 0.00 C ATOM 752 C GLN A 46 -1.808 7.366 -6.745 1.00 0.00 C ATOM 753 O GLN A 46 -2.957 7.623 -7.106 1.00 0.00 O ATOM 754 CB GLN A 46 -1.443 7.560 -4.276 1.00 0.00 C ATOM 755 CG GLN A 46 -2.784 7.919 -3.658 1.00 0.00 C ATOM 756 CD GLN A 46 -3.272 6.870 -2.678 1.00 0.00 C ATOM 757 OE1 GLN A 46 -2.476 6.174 -2.047 1.00 0.00 O ATOM 758 NE2 GLN A 46 -4.588 6.751 -2.547 1.00 0.00 N ATOM 0 H GLN A 46 0.237 5.779 -4.724 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.390 5.916 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.806 7.117 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.951 8.473 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.699 8.878 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.523 8.044 -4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.211 7.349 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.976 6.062 -1.903 1.00 0.00 H new ATOM 767 N LYS A 47 -0.722 7.709 -7.451 1.00 0.00 N ATOM 768 CA LYS A 47 -0.811 8.422 -8.724 1.00 0.00 C ATOM 769 C LYS A 47 -1.991 7.887 -9.523 1.00 0.00 C ATOM 770 O LYS A 47 -2.710 8.637 -10.183 1.00 0.00 O ATOM 771 CB LYS A 47 0.511 8.254 -9.498 1.00 0.00 C ATOM 772 CG LYS A 47 0.487 8.640 -10.984 1.00 0.00 C ATOM 773 CD LYS A 47 -0.546 9.714 -11.305 1.00 0.00 C ATOM 774 CE LYS A 47 0.021 10.776 -12.236 1.00 0.00 C ATOM 775 NZ LYS A 47 -0.016 12.131 -11.619 1.00 0.00 N ATOM 0 H LYS A 47 0.232 7.501 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.972 9.486 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.275 8.852 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.822 7.212 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.475 8.995 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.277 7.752 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.419 9.253 -11.767 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.884 10.182 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.049 10.522 -12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.547 10.785 -13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.379 12.826 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.000 12.384 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.547 12.130 -10.745 1.00 0.00 H new ATOM 789 N PHE A 48 -2.204 6.582 -9.419 1.00 0.00 N ATOM 790 CA PHE A 48 -3.315 5.944 -10.095 1.00 0.00 C ATOM 791 C PHE A 48 -4.303 5.366 -9.097 1.00 0.00 C ATOM 792 O PHE A 48 -5.512 5.369 -9.330 1.00 0.00 O ATOM 793 CB PHE A 48 -2.844 4.832 -11.020 1.00 0.00 C ATOM 794 CG PHE A 48 -3.899 4.461 -12.024 1.00 0.00 C ATOM 795 CD1 PHE A 48 -4.066 5.213 -13.176 1.00 0.00 C ATOM 796 CD2 PHE A 48 -4.739 3.380 -11.808 1.00 0.00 C ATOM 797 CE1 PHE A 48 -5.049 4.894 -14.093 1.00 0.00 C ATOM 798 CE2 PHE A 48 -5.722 3.055 -12.724 1.00 0.00 C ATOM 799 CZ PHE A 48 -5.878 3.814 -13.867 1.00 0.00 C ATOM 0 H PHE A 48 -1.620 5.949 -8.872 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.805 6.716 -10.688 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.941 5.150 -11.541 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.579 3.955 -10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.420 6.059 -13.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.624 2.785 -10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.169 5.489 -14.986 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.368 2.208 -12.546 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.647 3.563 -14.583 1.00 0.00 H new ATOM 809 N GLY A 49 -3.778 4.833 -8.002 1.00 0.00 N ATOM 810 CA GLY A 49 -4.626 4.215 -7.006 1.00 0.00 C ATOM 811 C GLY A 49 -4.825 2.750 -7.320 1.00 0.00 C ATOM 812 O GLY A 49 -4.898 1.910 -6.426 1.00 0.00 O ATOM 0 H GLY A 49 -2.781 4.818 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.177 4.324 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.591 4.721 -6.976 1.00 0.00 H new ATOM 816 N GLY A 50 -4.882 2.451 -8.611 1.00 0.00 N ATOM 817 CA GLY A 50 -5.039 1.089 -9.063 1.00 0.00 C ATOM 818 C GLY A 50 -3.773 0.584 -9.722 1.00 0.00 C ATOM 819 O GLY A 50 -3.429 0.997 -10.834 1.00 0.00 O ATOM 0 H GLY A 50 -4.821 3.141 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.293 0.449 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.868 1.030 -9.768 1.00 0.00 H new ATOM 823 N ALA A 51 -3.064 -0.293 -9.026 1.00 0.00 N ATOM 824 CA ALA A 51 -1.816 -0.843 -9.532 1.00 0.00 C ATOM 825 C ALA A 51 -1.921 -1.235 -11.002 1.00 0.00 C ATOM 826 O ALA A 51 -0.991 -1.038 -11.780 1.00 0.00 O ATOM 827 CB ALA A 51 -1.395 -2.035 -8.695 1.00 0.00 C ATOM 0 H ALA A 51 -3.334 -0.640 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.057 -0.065 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.460 -2.439 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.254 -1.722 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.168 -2.802 -8.740 1.00 0.00 H new ATOM 833 N ASP A 52 -3.060 -1.794 -11.368 1.00 0.00 N ATOM 834 CA ASP A 52 -3.301 -2.238 -12.734 1.00 0.00 C ATOM 835 C ASP A 52 -2.808 -1.242 -13.784 1.00 0.00 C ATOM 836 O ASP A 52 -2.294 -1.651 -14.825 1.00 0.00 O ATOM 837 CB ASP A 52 -4.794 -2.505 -12.941 1.00 0.00 C ATOM 838 CG ASP A 52 -5.665 -1.384 -12.407 1.00 0.00 C ATOM 839 OD1 ASP A 52 -5.137 -0.275 -12.182 1.00 0.00 O ATOM 840 OD2 ASP A 52 -6.877 -1.616 -12.213 1.00 0.00 O ATOM 0 H ASP A 52 -3.842 -1.954 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.729 -3.156 -12.870 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.992 -2.639 -14.005 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.065 -3.438 -12.447 1.00 0.00 H new ATOM 845 N GLN A 53 -2.957 0.059 -13.529 1.00 0.00 N ATOM 846 CA GLN A 53 -2.511 1.056 -14.484 1.00 0.00 C ATOM 847 C GLN A 53 -1.117 1.525 -14.156 1.00 0.00 C ATOM 848 O GLN A 53 -0.212 1.489 -14.989 1.00 0.00 O ATOM 849 CB GLN A 53 -3.464 2.243 -14.520 1.00 0.00 C ATOM 850 CG GLN A 53 -3.302 3.113 -15.755 1.00 0.00 C ATOM 851 CD GLN A 53 -4.534 3.108 -16.639 1.00 0.00 C ATOM 852 OE1 GLN A 53 -5.240 4.111 -16.745 1.00 0.00 O ATOM 853 NE2 GLN A 53 -4.800 1.975 -17.278 1.00 0.00 N ATOM 0 H GLN A 53 -3.378 0.436 -12.680 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.502 0.589 -15.469 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.490 1.877 -14.475 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.305 2.854 -13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.084 4.136 -15.448 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.445 2.764 -16.331 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.188 1.168 -17.161 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.617 1.912 -17.886 1.00 0.00 H new ATOM 862 N VAL A 54 -0.972 1.994 -12.925 1.00 0.00 N ATOM 863 CA VAL A 54 0.291 2.515 -12.451 1.00 0.00 C ATOM 864 C VAL A 54 1.443 1.564 -12.712 1.00 0.00 C ATOM 865 O VAL A 54 2.602 1.977 -12.754 1.00 0.00 O ATOM 866 CB VAL A 54 0.224 2.895 -10.961 1.00 0.00 C ATOM 867 CG1 VAL A 54 0.394 1.721 -10.019 1.00 0.00 C ATOM 868 CG2 VAL A 54 1.264 3.930 -10.681 1.00 0.00 C ATOM 0 H VAL A 54 -1.723 2.022 -12.236 1.00 0.00 H new ATOM 0 HA VAL A 54 0.484 3.422 -13.024 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.778 3.282 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.335 2.070 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.395 0.991 -10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.365 1.256 -10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.227 4.208 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.250 3.528 -10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.076 4.811 -11.295 1.00 0.00 H new ATOM 878 N THR A 55 1.125 0.295 -12.893 1.00 0.00 N ATOM 879 CA THR A 55 2.147 -0.696 -13.155 1.00 0.00 C ATOM 880 C THR A 55 2.470 -0.775 -14.634 1.00 0.00 C ATOM 881 O THR A 55 3.634 -0.794 -15.033 1.00 0.00 O ATOM 882 CB THR A 55 1.720 -2.053 -12.614 1.00 0.00 C ATOM 883 OG1 THR A 55 0.645 -2.583 -13.370 1.00 0.00 O ATOM 884 CG2 THR A 55 1.282 -1.983 -11.170 1.00 0.00 C ATOM 0 H THR A 55 0.173 -0.070 -12.863 1.00 0.00 H new ATOM 0 HA THR A 55 3.057 -0.391 -12.638 1.00 0.00 H new ATOM 0 HB THR A 55 2.596 -2.697 -12.690 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.201 -2.223 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.987 -2.976 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.107 -1.620 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.435 -1.302 -11.079 1.00 0.00 H new ATOM 892 N ARG A 56 1.430 -0.807 -15.436 1.00 0.00 N ATOM 893 CA ARG A 56 1.579 -0.870 -16.887 1.00 0.00 C ATOM 894 C ARG A 56 1.609 0.533 -17.500 1.00 0.00 C ATOM 895 O ARG A 56 1.049 0.763 -18.572 1.00 0.00 O ATOM 896 CB ARG A 56 0.440 -1.686 -17.504 1.00 0.00 C ATOM 897 CG ARG A 56 -0.918 -1.008 -17.417 1.00 0.00 C ATOM 898 CD ARG A 56 -2.036 -1.945 -17.842 1.00 0.00 C ATOM 899 NE ARG A 56 -2.049 -2.163 -19.286 1.00 0.00 N ATOM 900 CZ ARG A 56 -2.371 -1.226 -20.175 1.00 0.00 C ATOM 901 NH1 ARG A 56 -2.713 -0.008 -19.771 1.00 0.00 N ATOM 902 NH2 ARG A 56 -2.354 -1.506 -21.471 1.00 0.00 N ATOM 0 H ARG A 56 0.463 -0.791 -15.113 1.00 0.00 H new ATOM 0 HA ARG A 56 2.528 -1.360 -17.106 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.672 -1.882 -18.551 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.386 -2.653 -17.004 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.093 -0.671 -16.395 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.924 -0.121 -18.051 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.921 -2.901 -17.332 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.995 -1.531 -17.529 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.796 -3.088 -19.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.730 0.213 -18.775 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.959 0.706 -20.456 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.094 -2.440 -21.788 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.601 -0.787 -22.151 1.00 0.00 H new ATOM 916 N THR A 57 2.267 1.468 -16.815 1.00 0.00 N ATOM 917 CA THR A 57 2.367 2.844 -17.298 1.00 0.00 C ATOM 918 C THR A 57 3.684 3.485 -16.860 1.00 0.00 C ATOM 919 O THR A 57 4.626 2.789 -16.480 1.00 0.00 O ATOM 920 CB THR A 57 1.184 3.671 -16.788 1.00 0.00 C ATOM 921 OG1 THR A 57 1.221 4.986 -17.327 1.00 0.00 O ATOM 922 CG2 THR A 57 1.144 3.781 -15.279 1.00 0.00 C ATOM 0 H THR A 57 2.737 1.298 -15.926 1.00 0.00 H new ATOM 0 HA THR A 57 2.344 2.823 -18.388 1.00 0.00 H new ATOM 0 HB THR A 57 0.290 3.142 -17.118 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.232 5.639 -16.596 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.283 4.379 -14.980 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.063 2.785 -14.844 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.058 4.258 -14.925 1.00 0.00 H new ATOM 930 N GLN A 58 3.745 4.815 -16.920 1.00 0.00 N ATOM 931 CA GLN A 58 4.948 5.548 -16.536 1.00 0.00 C ATOM 932 C GLN A 58 4.958 5.855 -15.040 1.00 0.00 C ATOM 933 O GLN A 58 6.019 5.914 -14.419 1.00 0.00 O ATOM 934 CB GLN A 58 5.052 6.848 -17.336 1.00 0.00 C ATOM 935 CG GLN A 58 3.776 7.675 -17.321 1.00 0.00 C ATOM 936 CD GLN A 58 4.048 9.164 -17.228 1.00 0.00 C ATOM 937 OE1 GLN A 58 3.400 9.878 -16.463 1.00 0.00 O ATOM 938 NE2 GLN A 58 5.010 9.640 -18.010 1.00 0.00 N ATOM 0 H GLN A 58 2.974 5.406 -17.231 1.00 0.00 H new ATOM 0 HA GLN A 58 5.809 4.918 -16.759 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.869 7.448 -16.934 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.309 6.610 -18.368 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.204 7.470 -18.226 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.159 7.369 -16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.522 9.011 -18.629 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.237 10.634 -17.992 1.00 0.00 H new ATOM 947 N GLN A 59 3.773 6.054 -14.466 1.00 0.00 N ATOM 948 CA GLN A 59 3.640 6.357 -13.050 1.00 0.00 C ATOM 949 C GLN A 59 4.506 5.427 -12.192 1.00 0.00 C ATOM 950 O GLN A 59 4.946 5.802 -11.102 1.00 0.00 O ATOM 951 CB GLN A 59 2.166 6.255 -12.657 1.00 0.00 C ATOM 952 CG GLN A 59 1.247 7.045 -13.584 1.00 0.00 C ATOM 953 CD GLN A 59 -0.155 6.473 -13.653 1.00 0.00 C ATOM 954 OE1 GLN A 59 -0.433 5.412 -13.096 1.00 0.00 O ATOM 955 NE2 GLN A 59 -1.046 7.175 -14.343 1.00 0.00 N ATOM 0 H GLN A 59 2.886 6.009 -14.968 1.00 0.00 H new ATOM 0 HA GLN A 59 3.994 7.372 -12.869 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.866 5.207 -12.663 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.042 6.617 -11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.196 8.079 -13.242 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.677 7.062 -14.586 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.771 8.050 -14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.005 6.839 -14.427 1.00 0.00 H new ATOM 964 N TRP A 60 4.768 4.220 -12.694 1.00 0.00 N ATOM 965 CA TRP A 60 5.601 3.264 -11.968 1.00 0.00 C ATOM 966 C TRP A 60 7.023 3.771 -11.881 1.00 0.00 C ATOM 967 O TRP A 60 7.682 3.637 -10.850 1.00 0.00 O ATOM 968 CB TRP A 60 5.583 1.896 -12.643 1.00 0.00 C ATOM 969 CG TRP A 60 4.893 0.824 -11.850 1.00 0.00 C ATOM 970 CD1 TRP A 60 4.840 -0.498 -12.175 1.00 0.00 C ATOM 971 CD2 TRP A 60 4.170 0.963 -10.610 1.00 0.00 C ATOM 972 NE1 TRP A 60 4.089 -1.184 -11.252 1.00 0.00 N ATOM 973 CE2 TRP A 60 3.684 -0.315 -10.270 1.00 0.00 C ATOM 974 CE3 TRP A 60 3.876 2.036 -9.756 1.00 0.00 C ATOM 975 CZ2 TRP A 60 2.928 -0.545 -9.121 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.132 1.805 -8.618 1.00 0.00 C ATOM 977 CH2 TRP A 60 2.666 0.522 -8.308 1.00 0.00 C ATOM 0 H TRP A 60 4.419 3.884 -13.592 1.00 0.00 H new ATOM 0 HA TRP A 60 5.192 3.158 -10.963 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.091 1.988 -13.611 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.610 1.585 -12.835 1.00 0.00 H new ATOM 0 HD1 TRP A 60 5.319 -0.943 -13.035 1.00 0.00 H new ATOM 0 HE1 TRP A 60 3.868 -2.179 -11.290 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.228 3.031 -9.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.562 -1.533 -8.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.905 2.627 -7.955 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.088 0.372 -7.408 1.00 0.00 H new ATOM 988 N SER A 61 7.489 4.375 -12.964 1.00 0.00 N ATOM 989 CA SER A 61 8.834 4.925 -12.994 1.00 0.00 C ATOM 990 C SER A 61 9.040 5.830 -11.785 1.00 0.00 C ATOM 991 O SER A 61 10.157 6.007 -11.312 1.00 0.00 O ATOM 992 CB SER A 61 9.068 5.708 -14.287 1.00 0.00 C ATOM 993 OG SER A 61 10.419 5.615 -14.703 1.00 0.00 O ATOM 0 H SER A 61 6.959 4.496 -13.827 1.00 0.00 H new ATOM 0 HA SER A 61 9.552 4.106 -12.959 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.416 5.324 -15.071 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.802 6.754 -14.135 1.00 0.00 H new ATOM 0 HG SER A 61 10.542 6.123 -15.532 1.00 0.00 H new ATOM 999 N MET A 62 7.938 6.385 -11.280 1.00 0.00 N ATOM 1000 CA MET A 62 7.978 7.256 -10.114 1.00 0.00 C ATOM 1001 C MET A 62 8.128 6.428 -8.844 1.00 0.00 C ATOM 1002 O MET A 62 9.017 6.680 -8.031 1.00 0.00 O ATOM 1003 CB MET A 62 6.707 8.098 -10.036 1.00 0.00 C ATOM 1004 CG MET A 62 6.266 8.666 -11.376 1.00 0.00 C ATOM 1005 SD MET A 62 4.703 9.557 -11.270 1.00 0.00 S ATOM 1006 CE MET A 62 3.729 8.420 -10.286 1.00 0.00 C ATOM 0 H MET A 62 7.004 6.243 -11.665 1.00 0.00 H new ATOM 0 HA MET A 62 8.836 7.921 -10.209 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.902 7.487 -9.628 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.869 8.920 -9.339 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.038 9.337 -11.754 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.169 7.854 -12.097 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.943 7.986 -10.904 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.371 7.626 -9.905 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.279 8.956 -9.450 1.00 0.00 H new ATOM 1016 N VAL A 63 7.268 5.418 -8.688 1.00 0.00 N ATOM 1017 CA VAL A 63 7.338 4.543 -7.521 1.00 0.00 C ATOM 1018 C VAL A 63 8.694 3.858 -7.507 1.00 0.00 C ATOM 1019 O VAL A 63 9.573 4.185 -6.706 1.00 0.00 O ATOM 1020 CB VAL A 63 6.237 3.452 -7.525 1.00 0.00 C ATOM 1021 CG1 VAL A 63 6.406 2.521 -6.338 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.846 4.055 -7.505 1.00 0.00 C ATOM 0 H VAL A 63 6.525 5.190 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 63 7.188 5.163 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 63 6.348 2.886 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.624 1.762 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.382 2.039 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.333 3.093 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.103 3.257 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.725 4.660 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.709 4.682 -8.386 1.00 0.00 H new ATOM 1032 N ALA A 64 8.842 2.901 -8.413 1.00 0.00 N ATOM 1033 CA ALA A 64 10.080 2.137 -8.550 1.00 0.00 C ATOM 1034 C ALA A 64 11.336 2.997 -8.367 1.00 0.00 C ATOM 1035 O ALA A 64 12.279 2.587 -7.692 1.00 0.00 O ATOM 1036 CB ALA A 64 10.126 1.482 -9.918 1.00 0.00 C ATOM 0 H ALA A 64 8.112 2.631 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 64 10.077 1.387 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.050 0.913 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.273 0.812 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.088 2.250 -10.691 1.00 0.00 H new ATOM 1042 N GLN A 65 11.361 4.179 -8.978 1.00 0.00 N ATOM 1043 CA GLN A 65 12.534 5.051 -8.869 1.00 0.00 C ATOM 1044 C GLN A 65 12.625 5.689 -7.491 1.00 0.00 C ATOM 1045 O GLN A 65 13.717 5.980 -7.002 1.00 0.00 O ATOM 1046 CB GLN A 65 12.511 6.142 -9.940 1.00 0.00 C ATOM 1047 CG GLN A 65 12.794 5.624 -11.341 1.00 0.00 C ATOM 1048 CD GLN A 65 14.276 5.450 -11.610 1.00 0.00 C ATOM 1049 OE1 GLN A 65 14.872 4.440 -11.236 1.00 0.00 O ATOM 1050 NE2 GLN A 65 14.879 6.437 -12.263 1.00 0.00 N ATOM 0 H GLN A 65 10.599 4.553 -9.544 1.00 0.00 H new ATOM 0 HA GLN A 65 13.413 4.425 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.535 6.628 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.249 6.904 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.289 4.668 -11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.375 6.316 -12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.346 7.256 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.875 6.376 -12.473 1.00 0.00 H new ATOM 1059 N ARG A 66 11.475 5.907 -6.869 1.00 0.00 N ATOM 1060 CA ARG A 66 11.427 6.515 -5.547 1.00 0.00 C ATOM 1061 C ARG A 66 12.281 5.738 -4.552 1.00 0.00 C ATOM 1062 O ARG A 66 13.124 6.311 -3.861 1.00 0.00 O ATOM 1063 CB ARG A 66 9.985 6.583 -5.055 1.00 0.00 C ATOM 1064 CG ARG A 66 9.569 7.977 -4.607 1.00 0.00 C ATOM 1065 CD ARG A 66 9.035 8.800 -5.769 1.00 0.00 C ATOM 1066 NE ARG A 66 9.029 10.230 -5.470 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.168 10.809 -4.635 1.00 0.00 C ATOM 1068 NH1 ARG A 66 7.246 10.084 -4.014 1.00 0.00 N ATOM 1069 NH2 ARG A 66 8.230 12.116 -4.420 1.00 0.00 N ATOM 0 H ARG A 66 10.562 5.672 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 66 11.830 7.525 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.320 6.251 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.858 5.889 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.805 7.899 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.423 8.487 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.645 8.617 -6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.022 8.475 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 66 9.725 10.819 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.194 9.078 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.589 10.533 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.937 12.678 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.571 12.560 -3.781 1.00 0.00 H new ATOM 1083 N LEU A 67 12.058 4.430 -4.483 1.00 0.00 N ATOM 1084 CA LEU A 67 12.812 3.579 -3.568 1.00 0.00 C ATOM 1085 C LEU A 67 14.110 3.085 -4.207 1.00 0.00 C ATOM 1086 O LEU A 67 14.812 2.250 -3.635 1.00 0.00 O ATOM 1087 CB LEU A 67 11.959 2.389 -3.128 1.00 0.00 C ATOM 1088 CG LEU A 67 11.646 1.378 -4.231 1.00 0.00 C ATOM 1089 CD1 LEU A 67 11.878 -0.041 -3.738 1.00 0.00 C ATOM 1090 CD2 LEU A 67 10.214 1.544 -4.718 1.00 0.00 C ATOM 0 H LEU A 67 11.365 3.937 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 67 13.072 4.177 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.473 1.873 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.020 2.764 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 67 12.319 1.566 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.650 -0.746 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.920 -0.157 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.231 -0.240 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.010 0.816 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.526 1.385 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.078 2.551 -5.113 1.00 0.00 H new ATOM 1102 N GLN A 68 14.430 3.606 -5.390 1.00 0.00 N ATOM 1103 CA GLN A 68 15.646 3.217 -6.095 1.00 0.00 C ATOM 1104 C GLN A 68 15.641 1.726 -6.421 1.00 0.00 C ATOM 1105 O GLN A 68 16.591 1.008 -6.107 1.00 0.00 O ATOM 1106 CB GLN A 68 16.879 3.565 -5.256 1.00 0.00 C ATOM 1107 CG GLN A 68 17.388 4.979 -5.478 1.00 0.00 C ATOM 1108 CD GLN A 68 18.767 5.202 -4.887 1.00 0.00 C ATOM 1109 OE1 GLN A 68 19.130 4.591 -3.882 1.00 0.00 O ATOM 1110 NE2 GLN A 68 19.543 6.082 -5.511 1.00 0.00 N ATOM 0 H GLN A 68 13.863 4.299 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 68 15.683 3.771 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.638 3.436 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.677 2.860 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.417 5.187 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.688 5.687 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.200 6.565 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.481 6.274 -5.160 1.00 0.00 H new ATOM 1119 N ILE A 69 14.567 1.265 -7.053 1.00 0.00 N ATOM 1120 CA ILE A 69 14.447 -0.142 -7.420 1.00 0.00 C ATOM 1121 C ILE A 69 14.437 -0.323 -8.938 1.00 0.00 C ATOM 1122 O ILE A 69 14.941 -1.320 -9.456 1.00 0.00 O ATOM 1123 CB ILE A 69 13.178 -0.776 -6.810 1.00 0.00 C ATOM 1124 CG1 ILE A 69 13.132 -2.276 -7.109 1.00 0.00 C ATOM 1125 CG2 ILE A 69 11.922 -0.084 -7.325 1.00 0.00 C ATOM 1126 CD1 ILE A 69 13.568 -3.138 -5.943 1.00 0.00 C ATOM 0 H ILE A 69 13.770 1.842 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 69 15.321 -0.652 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 69 13.216 -0.641 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.116 -2.551 -7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.772 -2.487 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.042 -0.549 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.951 0.971 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.873 -0.179 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.510 -4.189 -6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.594 -2.891 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.914 -2.955 -5.091 1.00 0.00 H new ATOM 1138 N SER A 70 13.869 0.650 -9.647 1.00 0.00 N ATOM 1139 CA SER A 70 13.801 0.605 -11.107 1.00 0.00 C ATOM 1140 C SER A 70 13.337 -0.762 -11.609 1.00 0.00 C ATOM 1141 O SER A 70 13.787 -1.233 -12.654 1.00 0.00 O ATOM 1142 CB SER A 70 15.166 0.941 -11.709 1.00 0.00 C ATOM 1143 OG SER A 70 16.077 -0.131 -11.540 1.00 0.00 O ATOM 0 H SER A 70 13.448 1.482 -9.233 1.00 0.00 H new ATOM 0 HA SER A 70 13.069 1.347 -11.425 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.054 1.163 -12.770 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.564 1.839 -11.236 1.00 0.00 H new ATOM 0 HG SER A 70 15.685 -0.802 -10.943 1.00 0.00 H new ATOM 1149 N ASP A 71 12.437 -1.393 -10.863 1.00 0.00 N ATOM 1150 CA ASP A 71 11.917 -2.704 -11.239 1.00 0.00 C ATOM 1151 C ASP A 71 10.392 -2.681 -11.298 1.00 0.00 C ATOM 1152 O ASP A 71 9.730 -3.350 -10.514 1.00 0.00 O ATOM 1153 CB ASP A 71 12.396 -3.763 -10.239 1.00 0.00 C ATOM 1154 CG ASP A 71 13.193 -4.868 -10.904 1.00 0.00 C ATOM 1155 OD1 ASP A 71 12.677 -5.476 -11.866 1.00 0.00 O ATOM 1156 OD2 ASP A 71 14.333 -5.127 -10.463 1.00 0.00 O ATOM 0 H ASP A 71 12.052 -1.019 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 71 12.293 -2.957 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.009 -3.286 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.534 -4.196 -9.731 1.00 0.00 H new ATOM 1161 N TYR A 72 9.845 -1.896 -12.233 1.00 0.00 N ATOM 1162 CA TYR A 72 8.392 -1.754 -12.407 1.00 0.00 C ATOM 1163 C TYR A 72 7.647 -3.064 -12.158 1.00 0.00 C ATOM 1164 O TYR A 72 6.517 -3.069 -11.656 1.00 0.00 O ATOM 1165 CB TYR A 72 8.084 -1.241 -13.812 1.00 0.00 C ATOM 1166 CG TYR A 72 8.686 -2.082 -14.915 1.00 0.00 C ATOM 1167 CD1 TYR A 72 10.010 -1.915 -15.300 1.00 0.00 C ATOM 1168 CD2 TYR A 72 7.928 -3.044 -15.572 1.00 0.00 C ATOM 1169 CE1 TYR A 72 10.562 -2.682 -16.308 1.00 0.00 C ATOM 1170 CE2 TYR A 72 8.473 -3.815 -16.581 1.00 0.00 C ATOM 1171 CZ TYR A 72 9.790 -3.631 -16.945 1.00 0.00 C ATOM 1172 OH TYR A 72 10.336 -4.396 -17.949 1.00 0.00 O ATOM 0 H TYR A 72 10.394 -1.342 -12.890 1.00 0.00 H new ATOM 0 HA TYR A 72 8.045 -1.035 -11.665 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.003 -1.203 -13.946 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.453 -0.219 -13.905 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.618 -1.173 -14.803 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.896 -3.191 -15.289 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.593 -2.539 -16.596 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.870 -4.558 -17.082 1.00 0.00 H new ATOM 0 HH TYR A 72 9.660 -5.017 -18.292 1.00 0.00 H new ATOM 1182 N GLN A 73 8.279 -4.172 -12.503 1.00 0.00 N ATOM 1183 CA GLN A 73 7.673 -5.471 -12.308 1.00 0.00 C ATOM 1184 C GLN A 73 7.572 -5.783 -10.815 1.00 0.00 C ATOM 1185 O GLN A 73 6.570 -6.326 -10.335 1.00 0.00 O ATOM 1186 CB GLN A 73 8.496 -6.517 -13.062 1.00 0.00 C ATOM 1187 CG GLN A 73 9.501 -7.272 -12.209 1.00 0.00 C ATOM 1188 CD GLN A 73 8.927 -8.559 -11.649 1.00 0.00 C ATOM 1189 OE1 GLN A 73 8.591 -8.544 -10.364 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 8.785 -9.553 -12.362 1.00 0.00 N flip ATOM 0 H GLN A 73 9.210 -4.195 -12.919 1.00 0.00 H new ATOM 0 HA GLN A 73 6.658 -5.482 -12.706 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.815 -7.236 -13.518 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.029 -6.023 -13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.383 -7.500 -12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.829 -6.635 -11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.057 -9.519 -13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.395 -10.410 -11.970 1.00 0.00 H new ATOM 1199 N GLN A 74 8.600 -5.387 -10.074 1.00 0.00 N ATOM 1200 CA GLN A 74 8.620 -5.581 -8.642 1.00 0.00 C ATOM 1201 C GLN A 74 7.559 -4.702 -8.025 1.00 0.00 C ATOM 1202 O GLN A 74 6.962 -5.050 -7.011 1.00 0.00 O ATOM 1203 CB GLN A 74 9.997 -5.237 -8.071 1.00 0.00 C ATOM 1204 CG GLN A 74 10.122 -5.502 -6.580 1.00 0.00 C ATOM 1205 CD GLN A 74 11.489 -6.032 -6.194 1.00 0.00 C ATOM 1206 OE1 GLN A 74 12.364 -6.203 -7.044 1.00 0.00 O ATOM 1207 NE2 GLN A 74 11.680 -6.296 -4.907 1.00 0.00 N ATOM 0 H GLN A 74 9.430 -4.929 -10.449 1.00 0.00 H new ATOM 0 HA GLN A 74 8.416 -6.626 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.755 -5.816 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.208 -4.185 -8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.927 -4.580 -6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.360 -6.220 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.927 -6.139 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.580 -6.655 -4.588 1.00 0.00 H new ATOM 1216 N LEU A 75 7.315 -3.561 -8.666 1.00 0.00 N ATOM 1217 CA LEU A 75 6.321 -2.629 -8.204 1.00 0.00 C ATOM 1218 C LEU A 75 4.996 -3.312 -8.008 1.00 0.00 C ATOM 1219 O LEU A 75 4.559 -3.504 -6.883 1.00 0.00 O ATOM 1220 CB LEU A 75 6.184 -1.483 -9.172 1.00 0.00 C ATOM 1221 CG LEU A 75 7.329 -0.505 -9.108 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.407 0.072 -7.713 1.00 0.00 C ATOM 1223 CD2 LEU A 75 8.636 -1.176 -9.476 1.00 0.00 C ATOM 0 H LEU A 75 7.803 -3.269 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 75 6.646 -2.235 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.111 -1.879 -10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.253 -0.954 -8.968 1.00 0.00 H new ATOM 0 HG LEU A 75 7.154 0.296 -9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.233 0.781 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.474 0.584 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.570 -0.732 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.446 -0.449 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.834 -1.992 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.570 -1.571 -10.490 1.00 0.00 H new ATOM 1235 N GLU A 76 4.341 -3.712 -9.084 1.00 0.00 N ATOM 1236 CA GLU A 76 3.074 -4.386 -8.887 1.00 0.00 C ATOM 1237 C GLU A 76 3.261 -5.640 -8.055 1.00 0.00 C ATOM 1238 O GLU A 76 2.300 -6.165 -7.496 1.00 0.00 O ATOM 1239 CB GLU A 76 2.331 -4.716 -10.160 1.00 0.00 C ATOM 1240 CG GLU A 76 0.837 -4.664 -9.905 1.00 0.00 C ATOM 1241 CD GLU A 76 0.007 -4.999 -11.129 1.00 0.00 C ATOM 1242 OE1 GLU A 76 0.541 -5.658 -12.046 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -1.178 -4.605 -11.169 1.00 0.00 O ATOM 0 H GLU A 76 4.644 -3.591 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 76 2.448 -3.669 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.601 -4.009 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.616 -5.707 -10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.588 -5.360 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.570 -3.667 -9.555 1.00 0.00 H new ATOM 1250 N SER A 77 4.508 -6.082 -7.899 1.00 0.00 N ATOM 1251 CA SER A 77 4.769 -7.216 -7.045 1.00 0.00 C ATOM 1252 C SER A 77 4.480 -6.736 -5.637 1.00 0.00 C ATOM 1253 O SER A 77 3.982 -7.465 -4.780 1.00 0.00 O ATOM 1254 CB SER A 77 6.220 -7.686 -7.174 1.00 0.00 C ATOM 1255 OG SER A 77 6.319 -9.090 -7.006 1.00 0.00 O ATOM 0 H SER A 77 5.330 -5.676 -8.346 1.00 0.00 H new ATOM 0 HA SER A 77 4.150 -8.071 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.611 -7.405 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.836 -7.183 -6.428 1.00 0.00 H new ATOM 0 HG SER A 77 7.255 -9.365 -7.095 1.00 0.00 H new ATOM 1261 N ILE A 78 4.764 -5.453 -5.449 1.00 0.00 N ATOM 1262 CA ILE A 78 4.530 -4.770 -4.204 1.00 0.00 C ATOM 1263 C ILE A 78 3.052 -4.553 -3.987 1.00 0.00 C ATOM 1264 O ILE A 78 2.485 -4.933 -2.962 1.00 0.00 O ATOM 1265 CB ILE A 78 5.221 -3.366 -4.184 1.00 0.00 C ATOM 1266 CG1 ILE A 78 4.286 -2.244 -4.714 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.503 -3.376 -4.981 1.00 0.00 C ATOM 1268 CD1 ILE A 78 4.325 -0.978 -3.906 1.00 0.00 C ATOM 0 H ILE A 78 5.168 -4.859 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 78 4.946 -5.399 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 78 5.451 -3.151 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.561 -2.014 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.262 -2.618 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.960 -2.387 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.190 -4.107 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.286 -3.641 -6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.645 -0.247 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.020 -1.191 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.338 -0.577 -3.907 1.00 0.00 H new ATOM 1280 N TYR A 79 2.455 -3.883 -4.960 1.00 0.00 N ATOM 1281 CA TYR A 79 1.075 -3.527 -4.892 1.00 0.00 C ATOM 1282 C TYR A 79 0.208 -4.732 -5.006 1.00 0.00 C ATOM 1283 O TYR A 79 -0.590 -5.026 -4.128 1.00 0.00 O ATOM 1284 CB TYR A 79 0.722 -2.519 -5.987 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.597 -1.818 -5.744 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.776 -2.538 -5.576 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.661 -0.434 -5.664 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.975 -1.897 -5.336 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.860 0.213 -5.428 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.012 -0.524 -5.264 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.205 0.114 -5.020 1.00 0.00 O ATOM 0 H TYR A 79 2.926 -3.578 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 79 0.897 -3.065 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.515 -1.775 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.682 -3.033 -6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.753 -3.616 -5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.241 0.147 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.880 -2.471 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.893 1.291 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.187 1.007 -5.424 1.00 0.00 H new ATOM 1301 N PHE A 80 0.354 -5.405 -6.110 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.465 -6.569 -6.382 1.00 0.00 C ATOM 1303 C PHE A 80 -0.007 -7.845 -5.690 1.00 0.00 C ATOM 1304 O PHE A 80 -0.848 -8.579 -5.154 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.547 -6.811 -7.891 1.00 0.00 C ATOM 1306 CG PHE A 80 -1.624 -7.773 -8.320 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -1.640 -9.085 -7.867 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -2.621 -7.360 -9.190 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.628 -9.961 -8.274 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -3.612 -8.232 -9.598 1.00 0.00 C ATOM 1311 CZ PHE A 80 -3.615 -9.534 -9.140 1.00 0.00 C ATOM 0 H PHE A 80 1.028 -5.176 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.446 -6.336 -5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.713 -5.856 -8.389 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.416 -7.188 -8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.871 -9.425 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.623 -6.343 -9.554 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.628 -10.980 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.383 -7.895 -10.275 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.388 -10.218 -9.458 1.00 0.00 H new ATOM 1321 N ARG A 81 1.295 -8.151 -5.734 1.00 0.00 N ATOM 1322 CA ARG A 81 1.765 -9.412 -5.172 1.00 0.00 C ATOM 1323 C ARG A 81 1.911 -9.410 -3.663 1.00 0.00 C ATOM 1324 O ARG A 81 1.756 -10.456 -3.035 1.00 0.00 O ATOM 1325 CB ARG A 81 3.071 -9.838 -5.839 1.00 0.00 C ATOM 1326 CG ARG A 81 2.902 -10.308 -7.280 1.00 0.00 C ATOM 1327 CD ARG A 81 1.976 -9.395 -8.077 1.00 0.00 C ATOM 1328 NE ARG A 81 1.962 -9.735 -9.498 1.00 0.00 N ATOM 1329 CZ ARG A 81 1.246 -10.731 -10.016 1.00 0.00 C ATOM 1330 NH1 ARG A 81 0.483 -11.486 -9.234 1.00 0.00 N ATOM 1331 NH2 ARG A 81 1.291 -10.971 -11.319 1.00 0.00 N ATOM 0 H ARG A 81 2.019 -7.559 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 81 0.984 -10.141 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.768 -9.000 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.521 -10.641 -5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.877 -10.347 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.503 -11.322 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.964 -9.466 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.295 -8.360 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 81 2.535 -9.176 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.443 -11.304 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.063 -12.248 -9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.874 -10.393 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.743 -11.734 -11.716 1.00 0.00 H new ATOM 1345 N ILE A 82 2.203 -8.273 -3.060 1.00 0.00 N ATOM 1346 CA ILE A 82 2.346 -8.257 -1.620 1.00 0.00 C ATOM 1347 C ILE A 82 1.058 -7.826 -0.944 1.00 0.00 C ATOM 1348 O ILE A 82 0.729 -8.323 0.129 1.00 0.00 O ATOM 1349 CB ILE A 82 3.517 -7.370 -1.161 1.00 0.00 C ATOM 1350 CG1 ILE A 82 4.836 -7.950 -1.666 1.00 0.00 C ATOM 1351 CG2 ILE A 82 3.540 -7.264 0.355 1.00 0.00 C ATOM 1352 CD1 ILE A 82 6.010 -7.011 -1.502 1.00 0.00 C ATOM 0 H ILE A 82 2.342 -7.377 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 82 2.571 -9.280 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 82 3.384 -6.371 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.045 -8.877 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.731 -8.207 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.374 -6.633 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.605 -6.825 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.657 -8.258 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.913 -7.488 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.823 -6.093 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.141 -6.774 -0.446 1.00 0.00 H new ATOM 1364 N LEU A 83 0.321 -6.908 -1.560 1.00 0.00 N ATOM 1365 CA LEU A 83 -0.917 -6.449 -0.957 1.00 0.00 C ATOM 1366 C LEU A 83 -1.801 -5.707 -1.952 1.00 0.00 C ATOM 1367 O LEU A 83 -2.007 -4.513 -1.807 1.00 0.00 O ATOM 1368 CB LEU A 83 -0.583 -5.515 0.207 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.412 -5.702 1.476 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -1.588 -4.364 2.173 1.00 0.00 C ATOM 1371 CD2 LEU A 83 -2.763 -6.339 1.166 1.00 0.00 C ATOM 0 H LEU A 83 0.554 -6.478 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.467 -7.325 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.469 -5.646 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.703 -4.486 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.880 -6.381 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.180 -4.500 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.611 -3.959 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.100 -3.671 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.329 -6.459 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.318 -5.699 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.608 -7.315 0.706 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.327 -6.380 -2.968 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.165 -5.679 -3.932 1.00 0.00 C ATOM 1385 C LEU A 84 -4.334 -4.935 -3.229 1.00 0.00 C ATOM 1386 O LEU A 84 -4.330 -3.708 -3.128 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.660 -6.659 -5.026 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.850 -6.176 -5.845 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.903 -4.668 -5.805 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -4.763 -6.678 -7.277 1.00 0.00 C ATOM 0 H LEU A 84 -2.195 -7.376 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.566 -4.913 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.833 -6.866 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.927 -7.603 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.767 -6.577 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.753 -4.318 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.011 -4.335 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.983 -4.260 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.624 -6.320 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.847 -6.307 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.755 -7.768 -7.281 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.343 -5.680 -2.764 1.00 0.00 N ATOM 1403 CA PRO A 85 -6.557 -5.186 -2.088 1.00 0.00 C ATOM 1404 C PRO A 85 -6.368 -4.011 -1.116 1.00 0.00 C ATOM 1405 O PRO A 85 -6.874 -2.918 -1.365 1.00 0.00 O ATOM 1406 CB PRO A 85 -7.021 -6.437 -1.301 1.00 0.00 C ATOM 1407 CG PRO A 85 -5.960 -7.468 -1.549 1.00 0.00 C ATOM 1408 CD PRO A 85 -5.412 -7.108 -2.881 1.00 0.00 C ATOM 0 HA PRO A 85 -7.253 -4.779 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.119 -6.220 -0.237 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.995 -6.782 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.189 -7.440 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.375 -8.476 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.435 -7.556 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.063 -7.425 -3.696 1.00 0.00 H new ATOM 1416 N TYR A 86 -5.694 -4.248 0.011 1.00 0.00 N ATOM 1417 CA TYR A 86 -5.514 -3.204 1.034 1.00 0.00 C ATOM 1418 C TYR A 86 -5.169 -1.846 0.437 1.00 0.00 C ATOM 1419 O TYR A 86 -5.892 -0.871 0.635 1.00 0.00 O ATOM 1420 CB TYR A 86 -4.452 -3.617 2.051 1.00 0.00 C ATOM 1421 CG TYR A 86 -5.025 -3.992 3.403 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -6.080 -3.276 3.956 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -4.515 -5.066 4.122 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -6.609 -3.619 5.185 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -5.039 -5.414 5.352 1.00 0.00 C ATOM 1426 CZ TYR A 86 -6.085 -4.689 5.879 1.00 0.00 C ATOM 1427 OH TYR A 86 -6.610 -5.034 7.102 1.00 0.00 O ATOM 0 H TYR A 86 -5.265 -5.144 0.242 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.474 -3.099 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.891 -4.464 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.745 -2.798 2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.493 -2.437 3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.696 -5.638 3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.429 -3.052 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.630 -6.251 5.898 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.902 -5.014 7.779 1.00 0.00 H new ATOM 1437 N GLU A 87 -4.065 -1.787 -0.283 1.00 0.00 N ATOM 1438 CA GLU A 87 -3.619 -0.541 -0.905 1.00 0.00 C ATOM 1439 C GLU A 87 -4.760 0.141 -1.652 1.00 0.00 C ATOM 1440 O GLU A 87 -4.907 1.362 -1.602 1.00 0.00 O ATOM 1441 CB GLU A 87 -2.460 -0.816 -1.862 1.00 0.00 C ATOM 1442 CG GLU A 87 -1.613 -2.006 -1.451 1.00 0.00 C ATOM 1443 CD GLU A 87 -0.256 -2.025 -2.124 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -0.054 -1.243 -3.077 1.00 0.00 O ATOM 1445 OE2 GLU A 87 0.606 -2.821 -1.698 1.00 0.00 O ATOM 0 H GLU A 87 -3.455 -2.586 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.281 0.129 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.857 -0.989 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.827 0.070 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.476 -1.992 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.146 -2.926 -1.693 1.00 0.00 H new ATOM 1452 N ARG A 88 -5.565 -0.659 -2.341 1.00 0.00 N ATOM 1453 CA ARG A 88 -6.698 -0.140 -3.104 1.00 0.00 C ATOM 1454 C ARG A 88 -7.956 -0.024 -2.242 1.00 0.00 C ATOM 1455 O ARG A 88 -9.052 0.188 -2.760 1.00 0.00 O ATOM 1456 CB ARG A 88 -6.983 -1.051 -4.295 1.00 0.00 C ATOM 1457 CG ARG A 88 -7.657 -0.343 -5.459 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.248 -1.334 -6.449 1.00 0.00 C ATOM 1459 NE ARG A 88 -7.957 -0.963 -7.832 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.630 -1.429 -8.883 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -9.630 -2.285 -8.713 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -8.301 -1.038 -10.106 1.00 0.00 N ATOM 0 H ARG A 88 -5.455 -1.672 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.432 0.858 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.045 -1.487 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.616 -1.875 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.445 0.310 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.933 0.293 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.850 -2.329 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.327 -1.389 -6.307 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.193 -0.309 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.887 -2.589 -7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.142 -2.638 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.533 -0.381 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.816 -1.394 -10.911 1.00 0.00 H new ATOM 1476 N HIS A 89 -7.797 -0.177 -0.933 1.00 0.00 N ATOM 1477 CA HIS A 89 -8.927 -0.104 -0.012 1.00 0.00 C ATOM 1478 C HIS A 89 -9.169 1.319 0.495 1.00 0.00 C ATOM 1479 O HIS A 89 -10.305 1.792 0.509 1.00 0.00 O ATOM 1480 CB HIS A 89 -8.698 -1.042 1.175 1.00 0.00 C ATOM 1481 CG HIS A 89 -9.922 -1.265 2.007 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -10.214 -0.523 3.132 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -10.935 -2.155 1.873 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -11.351 -0.947 3.655 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -11.809 -1.935 2.909 1.00 0.00 N ATOM 0 H HIS A 89 -6.898 -0.352 -0.485 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.814 -0.414 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.341 -2.003 0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.910 -0.631 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.036 -2.899 1.096 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.825 -0.552 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -12.673 -2.452 3.075 1.00 0.00 H new