USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 762 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 21 LYS NZ :NH3+ 171:sc= 1.42 (180deg=0.198) USER MOD Set 1.2: B 102 THR OG1 : rot 85:sc= 1.55 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.309 K(o=2.6,f=1) USER MOD Set 2.2: A 24 GLN : amide:sc= 1.38 K(o=2.6,f=-3.9!) USER MOD Set 2.3: A 29 THR OG1 : rot 31:sc= 1.57 USER MOD Set 3.1: A 7 HIS : no HD1:sc= 0.0891 K(o=1.1,f=-5.1!) USER MOD Set 3.2: A 12 GLN : amide:sc= 0.706 K(o=1.1,f=-1.8) USER MOD Set 3.3: A 55 TYR OH : rot -178:sc= 0.261 USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0.658 (180deg=0.647) USER MOD Single : A 9 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 170:sc= 1.52 USER MOD Single : A 16 SER OG : rot 72:sc= 1.2 USER MOD Single : A 17 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=-0.25) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0738) USER MOD Single : A 40 MET CE :methyl 177:sc= -0.439 (180deg=-0.471) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 46 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0573) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0303) USER MOD Single : A 54 MET CE :methyl -116:sc= 0 (180deg=-0.473) USER MOD Single : A 57 SER OG : rot 77:sc= 1.15 USER MOD Single : A 59 ASN : amide:sc= 0.577 K(o=0.58,f=-0.00089) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 64 TYR OH : rot 2:sc= 1.23 USER MOD Single : A 65 TYR OH : rot 130:sc= -0.0127 USER MOD Single : A 66 HIS : no HD1:sc= 0.124 K(o=0.12,f=-2.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 1.6 K(o=1.6,f=-5.6!) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.76) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ -150:sc= 0.702 (180deg=0.266) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 65:sc= 1.2 USER MOD Single : B 104 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 6.510 2.819 3.870 1.00 10.00 N ATOM 51 CA LYS A 4 5.256 3.551 3.989 1.00 10.00 C ATOM 52 C LYS A 4 4.481 3.436 2.679 1.00 10.00 C ATOM 53 O LYS A 4 5.077 3.499 1.607 1.00 10.00 O ATOM 54 CB LYS A 4 5.527 5.031 4.275 1.00 10.00 C ATOM 55 CG LYS A 4 6.313 5.311 5.560 1.00 10.00 C ATOM 56 CD LYS A 4 5.521 4.947 6.821 1.00 10.00 C ATOM 57 CE LYS A 4 6.275 5.444 8.053 1.00 10.00 C ATOM 58 NZ LYS A 4 5.488 5.295 9.288 1.00 10.00 N ATOM 0 HA LYS A 4 4.678 3.127 4.810 1.00 10.00 H new ATOM 0 HB2 LYS A 4 6.075 5.453 3.433 1.00 10.00 H new ATOM 0 HB3 LYS A 4 4.573 5.555 4.330 1.00 10.00 H new ATOM 0 HG2 LYS A 4 7.244 4.745 5.543 1.00 10.00 H new ATOM 0 HG3 LYS A 4 6.582 6.367 5.595 1.00 10.00 H new ATOM 0 HD2 LYS A 4 4.528 5.396 6.783 1.00 10.00 H new ATOM 0 HD3 LYS A 4 5.381 3.867 6.877 1.00 10.00 H new ATOM 0 HE2 LYS A 4 7.209 4.892 8.152 1.00 10.00 H new ATOM 0 HE3 LYS A 4 6.538 6.493 7.917 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 6.071 5.566 10.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 4.650 5.909 9.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 5.187 4.305 9.390 1.00 10.00 H new ATOM 72 N GLY A 5 3.148 3.368 2.744 1.00 10.00 N ATOM 73 CA GLY A 5 2.304 3.428 1.555 1.00 10.00 C ATOM 74 C GLY A 5 2.642 4.640 0.682 1.00 10.00 C ATOM 75 O GLY A 5 2.701 4.544 -0.541 1.00 10.00 O ATOM 0 H GLY A 5 2.630 3.271 3.617 1.00 10.00 H new ATOM 0 HA2 GLY A 5 2.429 2.514 0.974 1.00 10.00 H new ATOM 0 HA3 GLY A 5 1.257 3.475 1.854 1.00 10.00 H new ATOM 79 N TRP A 6 2.891 5.782 1.327 1.00 10.00 N ATOM 80 CA TRP A 6 3.221 7.033 0.659 1.00 10.00 C ATOM 81 C TRP A 6 4.670 7.071 0.146 1.00 10.00 C ATOM 82 O TRP A 6 5.024 7.981 -0.603 1.00 10.00 O ATOM 83 CB TRP A 6 2.874 8.209 1.586 1.00 10.00 C ATOM 84 CG TRP A 6 3.677 8.334 2.847 1.00 10.00 C ATOM 85 CD1 TRP A 6 3.324 7.852 4.062 1.00 10.00 C ATOM 86 CD2 TRP A 6 4.970 8.988 3.040 1.00 10.00 C ATOM 87 NE1 TRP A 6 4.313 8.143 4.979 1.00 10.00 N ATOM 88 CE2 TRP A 6 5.361 8.816 4.398 1.00 10.00 C ATOM 89 CE3 TRP A 6 5.853 9.713 2.212 1.00 10.00 C ATOM 90 CZ2 TRP A 6 6.579 9.288 4.899 1.00 10.00 C ATOM 91 CZ3 TRP A 6 7.074 10.203 2.711 1.00 10.00 C ATOM 92 CH2 TRP A 6 7.447 9.975 4.043 1.00 10.00 C ATOM 0 H TRP A 6 2.867 5.860 2.344 1.00 10.00 H new ATOM 0 HA TRP A 6 2.614 7.119 -0.243 1.00 10.00 H new ATOM 0 HB2 TRP A 6 2.985 9.133 1.019 1.00 10.00 H new ATOM 0 HB3 TRP A 6 1.822 8.128 1.859 1.00 10.00 H new ATOM 0 HD1 TRP A 6 2.409 7.321 4.280 1.00 10.00 H new ATOM 0 HE1 TRP A 6 4.271 7.890 5.966 1.00 10.00 H new ATOM 0 HE3 TRP A 6 5.588 9.894 1.181 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 6.846 9.124 5.933 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 7.731 10.761 2.061 1.00 10.00 H new ATOM 0 HH2 TRP A 6 8.400 10.328 4.407 1.00 10.00 H new ATOM 103 N HIS A 7 5.514 6.094 0.516 1.00 10.00 N ATOM 104 CA HIS A 7 6.910 6.028 0.083 1.00 10.00 C ATOM 105 C HIS A 7 6.988 6.180 -1.432 1.00 10.00 C ATOM 106 O HIS A 7 7.776 6.969 -1.943 1.00 10.00 O ATOM 107 CB HIS A 7 7.544 4.701 0.538 1.00 10.00 C ATOM 108 CG HIS A 7 9.046 4.580 0.416 1.00 10.00 C ATOM 109 ND1 HIS A 7 9.870 4.153 1.459 1.00 10.00 N ATOM 110 CD2 HIS A 7 9.815 4.827 -0.689 1.00 10.00 C ATOM 111 CE1 HIS A 7 11.120 4.219 0.980 1.00 10.00 C ATOM 112 NE2 HIS A 7 11.120 4.624 -0.301 1.00 10.00 N ATOM 0 H HIS A 7 5.240 5.325 1.128 1.00 10.00 H new ATOM 0 HA HIS A 7 7.469 6.844 0.541 1.00 10.00 H new ATOM 0 HB2 HIS A 7 7.275 4.537 1.581 1.00 10.00 H new ATOM 0 HB3 HIS A 7 7.091 3.894 -0.038 1.00 10.00 H new ATOM 0 HD2 HIS A 7 9.468 5.122 -1.668 1.00 10.00 H new ATOM 0 HE1 HIS A 7 12.007 3.979 1.547 1.00 10.00 H new ATOM 0 HE2 HIS A 7 11.945 4.758 -0.886 1.00 10.00 H new ATOM 120 N GLU A 8 6.127 5.449 -2.147 1.00 10.00 N ATOM 121 CA GLU A 8 6.058 5.470 -3.599 1.00 10.00 C ATOM 122 C GLU A 8 5.963 6.895 -4.165 1.00 10.00 C ATOM 123 O GLU A 8 6.432 7.148 -5.271 1.00 10.00 O ATOM 124 CB GLU A 8 4.902 4.566 -4.057 1.00 10.00 C ATOM 125 CG GLU A 8 3.526 5.191 -3.780 1.00 10.00 C ATOM 126 CD GLU A 8 2.348 4.266 -4.074 1.00 10.00 C ATOM 127 OE1 GLU A 8 2.562 3.034 -4.090 1.00 10.00 O ATOM 128 OE2 GLU A 8 1.247 4.820 -4.289 1.00 10.00 O ATOM 0 H GLU A 8 5.450 4.818 -1.719 1.00 10.00 H new ATOM 0 HA GLU A 8 6.990 5.075 -4.003 1.00 10.00 H new ATOM 0 HB2 GLU A 8 5.000 4.368 -5.124 1.00 10.00 H new ATOM 0 HB3 GLU A 8 4.971 3.605 -3.547 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.482 5.496 -2.734 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.422 6.095 -4.380 1.00 10.00 H new ATOM 135 N HIS A 9 5.351 7.822 -3.421 1.00 10.00 N ATOM 136 CA HIS A 9 5.207 9.206 -3.828 1.00 10.00 C ATOM 137 C HIS A 9 6.512 9.970 -3.596 1.00 10.00 C ATOM 138 O HIS A 9 6.905 10.791 -4.425 1.00 10.00 O ATOM 139 CB HIS A 9 4.038 9.852 -3.068 1.00 10.00 C ATOM 140 CG HIS A 9 2.742 9.079 -3.104 1.00 10.00 C ATOM 141 ND1 HIS A 9 1.893 8.890 -2.014 1.00 10.00 N ATOM 142 CD2 HIS A 9 2.265 8.374 -4.171 1.00 10.00 C ATOM 143 CE1 HIS A 9 0.935 8.055 -2.445 1.00 10.00 C ATOM 144 NE2 HIS A 9 1.138 7.721 -3.731 1.00 10.00 N ATOM 0 H HIS A 9 4.940 7.620 -2.510 1.00 10.00 H new ATOM 0 HA HIS A 9 4.986 9.246 -4.895 1.00 10.00 H new ATOM 0 HB2 HIS A 9 4.333 9.987 -2.027 1.00 10.00 H new ATOM 0 HB3 HIS A 9 3.862 10.845 -3.481 1.00 10.00 H new ATOM 0 HD2 HIS A 9 2.689 8.337 -5.164 1.00 10.00 H new ATOM 0 HE1 HIS A 9 0.113 7.700 -1.841 1.00 10.00 H new ATOM 0 HE2 HIS A 9 0.557 7.092 -4.285 1.00 10.00 H new ATOM 152 N VAL A 10 7.161 9.744 -2.450 1.00 10.00 N ATOM 153 CA VAL A 10 8.401 10.421 -2.081 1.00 10.00 C ATOM 154 C VAL A 10 9.597 9.525 -2.397 1.00 10.00 C ATOM 155 O VAL A 10 10.069 8.761 -1.551 1.00 10.00 O ATOM 156 CB VAL A 10 8.373 10.887 -0.620 1.00 10.00 C ATOM 157 CG1 VAL A 10 9.668 11.631 -0.261 1.00 10.00 C ATOM 158 CG2 VAL A 10 7.205 11.861 -0.406 1.00 10.00 C ATOM 0 H VAL A 10 6.835 9.079 -1.748 1.00 10.00 H new ATOM 0 HA VAL A 10 8.503 11.327 -2.679 1.00 10.00 H new ATOM 0 HB VAL A 10 8.264 10.003 0.009 1.00 10.00 H new ATOM 0 HG11 VAL A 10 9.626 11.952 0.780 1.00 10.00 H new ATOM 0 HG12 VAL A 10 10.520 10.966 -0.402 1.00 10.00 H new ATOM 0 HG13 VAL A 10 9.777 12.503 -0.906 1.00 10.00 H new ATOM 0 HG21 VAL A 10 7.190 12.189 0.634 1.00 10.00 H new ATOM 0 HG22 VAL A 10 7.329 12.726 -1.057 1.00 10.00 H new ATOM 0 HG23 VAL A 10 6.266 11.360 -0.642 1.00 10.00 H new ATOM 168 N THR A 11 10.097 9.673 -3.624 1.00 10.00 N ATOM 169 CA THR A 11 11.258 8.974 -4.135 1.00 10.00 C ATOM 170 C THR A 11 12.512 9.254 -3.309 1.00 10.00 C ATOM 171 O THR A 11 12.592 10.221 -2.551 1.00 10.00 O ATOM 172 CB THR A 11 11.509 9.426 -5.578 1.00 10.00 C ATOM 173 OG1 THR A 11 11.641 10.836 -5.603 1.00 10.00 O ATOM 174 CG2 THR A 11 10.385 8.985 -6.512 1.00 10.00 C ATOM 0 H THR A 11 9.684 10.308 -4.307 1.00 10.00 H new ATOM 0 HA THR A 11 11.054 7.905 -4.082 1.00 10.00 H new ATOM 0 HB THR A 11 12.427 8.958 -5.933 1.00 10.00 H new ATOM 0 HG1 THR A 11 11.965 11.119 -6.484 1.00 10.00 H new ATOM 0 HG21 THR A 11 10.600 9.324 -7.525 1.00 10.00 H new ATOM 0 HG22 THR A 11 10.309 7.898 -6.502 1.00 10.00 H new ATOM 0 HG23 THR A 11 9.442 9.418 -6.177 1.00 10.00 H new ATOM 182 N GLN A 12 13.532 8.425 -3.544 1.00 10.00 N ATOM 183 CA GLN A 12 14.856 8.576 -2.971 1.00 10.00 C ATOM 184 C GLN A 12 15.453 9.939 -3.349 1.00 10.00 C ATOM 185 O GLN A 12 15.946 10.685 -2.503 1.00 10.00 O ATOM 186 CB GLN A 12 15.735 7.411 -3.432 1.00 10.00 C ATOM 187 CG GLN A 12 15.136 6.034 -3.092 1.00 10.00 C ATOM 188 CD GLN A 12 14.748 5.860 -1.624 1.00 10.00 C ATOM 189 OE1 GLN A 12 13.591 5.592 -1.307 1.00 10.00 O ATOM 190 NE2 GLN A 12 15.706 6.000 -0.713 1.00 10.00 N ATOM 0 H GLN A 12 13.450 7.612 -4.155 1.00 10.00 H new ATOM 0 HA GLN A 12 14.798 8.550 -1.883 1.00 10.00 H new ATOM 0 HB2 GLN A 12 15.884 7.480 -4.510 1.00 10.00 H new ATOM 0 HB3 GLN A 12 16.717 7.498 -2.968 1.00 10.00 H new ATOM 0 HG2 GLN A 12 14.253 5.873 -3.710 1.00 10.00 H new ATOM 0 HG3 GLN A 12 15.857 5.262 -3.359 1.00 10.00 H new ATOM 0 HE21 GLN A 12 16.658 6.223 -1.004 1.00 10.00 H new ATOM 0 HE22 GLN A 12 15.489 5.885 0.277 1.00 10.00 H new ATOM 199 N ASP A 13 15.380 10.280 -4.635 1.00 10.00 N ATOM 200 CA ASP A 13 15.743 11.596 -5.135 1.00 10.00 C ATOM 201 C ASP A 13 14.957 12.708 -4.428 1.00 10.00 C ATOM 202 O ASP A 13 15.570 13.677 -3.980 1.00 10.00 O ATOM 203 CB ASP A 13 15.613 11.647 -6.665 1.00 10.00 C ATOM 204 CG ASP A 13 14.343 10.991 -7.190 1.00 10.00 C ATOM 205 OD1 ASP A 13 14.353 9.742 -7.258 1.00 10.00 O ATOM 206 OD2 ASP A 13 13.373 11.728 -7.471 1.00 10.00 O ATOM 0 H ASP A 13 15.063 9.640 -5.363 1.00 10.00 H new ATOM 0 HA ASP A 13 16.791 11.778 -4.898 1.00 10.00 H new ATOM 0 HB2 ASP A 13 15.635 12.688 -6.989 1.00 10.00 H new ATOM 0 HB3 ASP A 13 16.477 11.156 -7.112 1.00 10.00 H new ATOM 211 N LEU A 14 13.630 12.596 -4.284 1.00 10.00 N ATOM 212 CA LEU A 14 12.886 13.638 -3.581 1.00 10.00 C ATOM 213 C LEU A 14 13.362 13.762 -2.130 1.00 10.00 C ATOM 214 O LEU A 14 13.672 14.866 -1.690 1.00 10.00 O ATOM 215 CB LEU A 14 11.370 13.438 -3.711 1.00 10.00 C ATOM 216 CG LEU A 14 10.522 14.518 -3.006 1.00 10.00 C ATOM 217 CD1 LEU A 14 10.995 15.959 -3.242 1.00 10.00 C ATOM 218 CD2 LEU A 14 9.069 14.403 -3.480 1.00 10.00 C ATOM 0 H LEU A 14 13.068 11.820 -4.634 1.00 10.00 H new ATOM 0 HA LEU A 14 13.096 14.595 -4.059 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.107 13.420 -4.769 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.108 12.463 -3.301 1.00 10.00 H new ATOM 0 HG LEU A 14 10.627 14.327 -1.938 1.00 10.00 H new ATOM 0 HD11 LEU A 14 10.341 16.649 -2.709 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.016 16.071 -2.876 1.00 10.00 H new ATOM 0 HD13 LEU A 14 10.965 16.182 -4.309 1.00 10.00 H new ATOM 0 HD21 LEU A 14 8.464 15.163 -2.986 1.00 10.00 H new ATOM 0 HD22 LEU A 14 9.026 14.550 -4.559 1.00 10.00 H new ATOM 0 HD23 LEU A 14 8.683 13.414 -3.232 1.00 10.00 H new ATOM 230 N ARG A 15 13.480 12.665 -1.374 1.00 10.00 N ATOM 231 CA ARG A 15 13.982 12.802 -0.007 1.00 10.00 C ATOM 232 C ARG A 15 15.399 13.379 0.025 1.00 10.00 C ATOM 233 O ARG A 15 15.704 14.168 0.913 1.00 10.00 O ATOM 234 CB ARG A 15 13.829 11.535 0.834 1.00 10.00 C ATOM 235 CG ARG A 15 14.558 10.321 0.266 1.00 10.00 C ATOM 236 CD ARG A 15 14.115 9.020 0.936 1.00 10.00 C ATOM 237 NE ARG A 15 14.353 9.048 2.382 1.00 10.00 N ATOM 238 CZ ARG A 15 13.956 8.093 3.233 1.00 10.00 C ATOM 239 NH1 ARG A 15 13.318 7.004 2.786 1.00 10.00 N ATOM 240 NH2 ARG A 15 14.199 8.249 4.537 1.00 10.00 N ATOM 0 H ARG A 15 13.247 11.716 -1.668 1.00 10.00 H new ATOM 0 HA ARG A 15 13.336 13.533 0.480 1.00 10.00 H new ATOM 0 HB2 ARG A 15 14.201 11.732 1.840 1.00 10.00 H new ATOM 0 HB3 ARG A 15 12.769 11.299 0.927 1.00 10.00 H new ATOM 0 HG2 ARG A 15 14.374 10.257 -0.806 1.00 10.00 H new ATOM 0 HG3 ARG A 15 15.632 10.449 0.398 1.00 10.00 H new ATOM 0 HD2 ARG A 15 13.055 8.854 0.745 1.00 10.00 H new ATOM 0 HD3 ARG A 15 14.653 8.181 0.494 1.00 10.00 H new ATOM 0 HE ARG A 15 14.855 9.849 2.766 1.00 10.00 H new ATOM 0 HH11 ARG A 15 13.130 6.896 1.789 1.00 10.00 H new ATOM 0 HH12 ARG A 15 13.020 6.282 3.442 1.00 10.00 H new ATOM 0 HH21 ARG A 15 14.680 9.085 4.870 1.00 10.00 H new ATOM 0 HH22 ARG A 15 13.904 7.532 5.200 1.00 10.00 H new ATOM 254 N SER A 16 16.251 13.051 -0.951 1.00 10.00 N ATOM 255 CA SER A 16 17.553 13.699 -1.084 1.00 10.00 C ATOM 256 C SER A 16 17.399 15.219 -1.253 1.00 10.00 C ATOM 257 O SER A 16 18.074 16.002 -0.584 1.00 10.00 O ATOM 258 CB SER A 16 18.341 13.084 -2.245 1.00 10.00 C ATOM 259 OG SER A 16 18.488 11.689 -2.060 1.00 10.00 O ATOM 0 H SER A 16 16.060 12.341 -1.658 1.00 10.00 H new ATOM 0 HA SER A 16 18.117 13.529 -0.167 1.00 10.00 H new ATOM 0 HB2 SER A 16 17.826 13.280 -3.186 1.00 10.00 H new ATOM 0 HB3 SER A 16 19.322 13.553 -2.315 1.00 10.00 H new ATOM 0 HG SER A 16 17.627 11.246 -2.214 1.00 10.00 H new ATOM 265 N HIS A 17 16.507 15.648 -2.147 1.00 10.00 N ATOM 266 CA HIS A 17 16.242 17.064 -2.381 1.00 10.00 C ATOM 267 C HIS A 17 15.693 17.728 -1.110 1.00 10.00 C ATOM 268 O HIS A 17 16.066 18.848 -0.775 1.00 10.00 O ATOM 269 CB HIS A 17 15.288 17.200 -3.572 1.00 10.00 C ATOM 270 CG HIS A 17 15.042 18.596 -4.091 1.00 10.00 C ATOM 271 ND1 HIS A 17 14.070 18.890 -5.044 1.00 10.00 N ATOM 272 CD2 HIS A 17 15.750 19.733 -3.810 1.00 10.00 C ATOM 273 CE1 HIS A 17 14.200 20.194 -5.313 1.00 10.00 C ATOM 274 NE2 HIS A 17 15.194 20.729 -4.585 1.00 10.00 N ATOM 0 H HIS A 17 15.949 15.022 -2.728 1.00 10.00 H new ATOM 0 HA HIS A 17 17.168 17.585 -2.625 1.00 10.00 H new ATOM 0 HB2 HIS A 17 15.679 16.597 -4.391 1.00 10.00 H new ATOM 0 HB3 HIS A 17 14.328 16.769 -3.289 1.00 10.00 H new ATOM 0 HD2 HIS A 17 16.576 19.830 -3.121 1.00 10.00 H new ATOM 0 HE1 HIS A 17 13.591 20.741 -6.017 1.00 10.00 H new ATOM 0 HE2 HIS A 17 15.488 21.706 -4.602 1.00 10.00 H new ATOM 282 N LEU A 18 14.825 17.040 -0.371 1.00 10.00 N ATOM 283 CA LEU A 18 14.321 17.537 0.901 1.00 10.00 C ATOM 284 C LEU A 18 15.454 17.658 1.930 1.00 10.00 C ATOM 285 O LEU A 18 15.580 18.700 2.567 1.00 10.00 O ATOM 286 CB LEU A 18 13.157 16.663 1.383 1.00 10.00 C ATOM 287 CG LEU A 18 11.888 16.870 0.541 1.00 10.00 C ATOM 288 CD1 LEU A 18 10.889 15.758 0.848 1.00 10.00 C ATOM 289 CD2 LEU A 18 11.190 18.197 0.849 1.00 10.00 C ATOM 0 H LEU A 18 14.455 16.128 -0.638 1.00 10.00 H new ATOM 0 HA LEU A 18 13.928 18.545 0.767 1.00 10.00 H new ATOM 0 HB2 LEU A 18 13.451 15.614 1.342 1.00 10.00 H new ATOM 0 HB3 LEU A 18 12.940 16.893 2.426 1.00 10.00 H new ATOM 0 HG LEU A 18 12.201 16.866 -0.503 1.00 10.00 H new ATOM 0 HD11 LEU A 18 9.988 15.903 0.252 1.00 10.00 H new ATOM 0 HD12 LEU A 18 11.333 14.793 0.605 1.00 10.00 H new ATOM 0 HD13 LEU A 18 10.631 15.783 1.907 1.00 10.00 H new ATOM 0 HD21 LEU A 18 10.300 18.293 0.227 1.00 10.00 H new ATOM 0 HD22 LEU A 18 10.903 18.222 1.900 1.00 10.00 H new ATOM 0 HD23 LEU A 18 11.870 19.023 0.639 1.00 10.00 H new ATOM 301 N VAL A 19 16.305 16.635 2.079 1.00 10.00 N ATOM 302 CA VAL A 19 17.532 16.736 2.877 1.00 10.00 C ATOM 303 C VAL A 19 18.303 18.007 2.491 1.00 10.00 C ATOM 304 O VAL A 19 18.643 18.813 3.358 1.00 10.00 O ATOM 305 CB VAL A 19 18.380 15.454 2.737 1.00 10.00 C ATOM 306 CG1 VAL A 19 19.842 15.619 3.172 1.00 10.00 C ATOM 307 CG2 VAL A 19 17.776 14.317 3.568 1.00 10.00 C ATOM 0 H VAL A 19 16.163 15.719 1.652 1.00 10.00 H new ATOM 0 HA VAL A 19 17.276 16.822 3.933 1.00 10.00 H new ATOM 0 HB VAL A 19 18.369 15.226 1.671 1.00 10.00 H new ATOM 0 HG11 VAL A 19 20.369 14.674 3.043 1.00 10.00 H new ATOM 0 HG12 VAL A 19 20.319 16.387 2.562 1.00 10.00 H new ATOM 0 HG13 VAL A 19 19.878 15.914 4.221 1.00 10.00 H new ATOM 0 HG21 VAL A 19 18.387 13.421 3.457 1.00 10.00 H new ATOM 0 HG22 VAL A 19 17.747 14.609 4.618 1.00 10.00 H new ATOM 0 HG23 VAL A 19 16.763 14.111 3.221 1.00 10.00 H new ATOM 317 N HIS A 20 18.556 18.207 1.193 1.00 10.00 N ATOM 318 CA HIS A 20 19.175 19.433 0.696 1.00 10.00 C ATOM 319 C HIS A 20 18.432 20.669 1.219 1.00 10.00 C ATOM 320 O HIS A 20 19.064 21.524 1.839 1.00 10.00 O ATOM 321 CB HIS A 20 19.299 19.381 -0.834 1.00 10.00 C ATOM 322 CG HIS A 20 19.647 20.683 -1.512 1.00 10.00 C ATOM 323 ND1 HIS A 20 18.802 21.790 -1.605 1.00 10.00 N ATOM 324 CD2 HIS A 20 20.715 20.868 -2.343 1.00 10.00 C ATOM 325 CE1 HIS A 20 19.385 22.622 -2.480 1.00 10.00 C ATOM 326 NE2 HIS A 20 20.538 22.099 -2.933 1.00 10.00 N ATOM 0 H HIS A 20 18.338 17.527 0.465 1.00 10.00 H new ATOM 0 HA HIS A 20 20.191 19.516 1.083 1.00 10.00 H new ATOM 0 HB2 HIS A 20 20.060 18.644 -1.093 1.00 10.00 H new ATOM 0 HB3 HIS A 20 18.355 19.021 -1.244 1.00 10.00 H new ATOM 0 HD2 HIS A 20 21.535 20.184 -2.505 1.00 10.00 H new ATOM 0 HE1 HIS A 20 18.984 23.579 -2.779 1.00 10.00 H new ATOM 0 HE2 HIS A 20 21.173 22.539 -3.599 1.00 10.00 H new ATOM 334 N LYS A 21 17.107 20.756 1.036 1.00 10.00 N ATOM 335 CA LYS A 21 16.322 21.864 1.576 1.00 10.00 C ATOM 336 C LYS A 21 16.576 22.063 3.071 1.00 10.00 C ATOM 337 O LYS A 21 16.715 23.205 3.503 1.00 10.00 O ATOM 338 CB LYS A 21 14.815 21.701 1.341 1.00 10.00 C ATOM 339 CG LYS A 21 14.345 21.814 -0.111 1.00 10.00 C ATOM 340 CD LYS A 21 14.633 23.196 -0.719 1.00 10.00 C ATOM 341 CE LYS A 21 13.914 23.400 -2.058 1.00 10.00 C ATOM 342 NZ LYS A 21 12.445 23.413 -1.922 1.00 10.00 N ATOM 0 H LYS A 21 16.560 20.069 0.517 1.00 10.00 H new ATOM 0 HA LYS A 21 16.657 22.746 1.030 1.00 10.00 H new ATOM 0 HB2 LYS A 21 14.511 20.727 1.725 1.00 10.00 H new ATOM 0 HB3 LYS A 21 14.292 22.454 1.931 1.00 10.00 H new ATOM 0 HG2 LYS A 21 14.838 21.048 -0.709 1.00 10.00 H new ATOM 0 HG3 LYS A 21 13.274 21.616 -0.159 1.00 10.00 H new ATOM 0 HD2 LYS A 21 14.321 23.971 -0.019 1.00 10.00 H new ATOM 0 HD3 LYS A 21 15.707 23.311 -0.864 1.00 10.00 H new ATOM 0 HE2 LYS A 21 14.242 24.340 -2.501 1.00 10.00 H new ATOM 0 HE3 LYS A 21 14.204 22.605 -2.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 12.015 23.704 -2.823 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 12.111 22.461 -1.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 12.171 24.084 -1.176 1.00 10.00 H new ATOM 356 N LEU A 22 16.635 20.989 3.867 1.00 10.00 N ATOM 357 CA LEU A 22 16.949 21.130 5.285 1.00 10.00 C ATOM 358 C LEU A 22 18.280 21.858 5.452 1.00 10.00 C ATOM 359 O LEU A 22 18.344 22.866 6.153 1.00 10.00 O ATOM 360 CB LEU A 22 17.001 19.791 6.029 1.00 10.00 C ATOM 361 CG LEU A 22 15.741 18.919 5.955 1.00 10.00 C ATOM 362 CD1 LEU A 22 15.839 17.829 7.024 1.00 10.00 C ATOM 363 CD2 LEU A 22 14.463 19.732 6.153 1.00 10.00 C ATOM 0 H LEU A 22 16.472 20.031 3.557 1.00 10.00 H new ATOM 0 HA LEU A 22 16.138 21.709 5.727 1.00 10.00 H new ATOM 0 HB2 LEU A 22 17.839 19.215 5.636 1.00 10.00 H new ATOM 0 HB3 LEU A 22 17.216 19.992 7.079 1.00 10.00 H new ATOM 0 HG LEU A 22 15.686 18.478 4.960 1.00 10.00 H new ATOM 0 HD11 LEU A 22 14.950 17.200 6.985 1.00 10.00 H new ATOM 0 HD12 LEU A 22 16.724 17.219 6.842 1.00 10.00 H new ATOM 0 HD13 LEU A 22 15.913 18.291 8.009 1.00 10.00 H new ATOM 0 HD21 LEU A 22 13.598 19.071 6.092 1.00 10.00 H new ATOM 0 HD22 LEU A 22 14.485 20.212 7.131 1.00 10.00 H new ATOM 0 HD23 LEU A 22 14.393 20.494 5.377 1.00 10.00 H new ATOM 375 N VAL A 23 19.337 21.359 4.798 1.00 10.00 N ATOM 376 CA VAL A 23 20.643 22.005 4.867 1.00 10.00 C ATOM 377 C VAL A 23 20.509 23.484 4.495 1.00 10.00 C ATOM 378 O VAL A 23 20.922 24.330 5.279 1.00 10.00 O ATOM 379 CB VAL A 23 21.713 21.285 4.027 1.00 10.00 C ATOM 380 CG1 VAL A 23 23.085 21.955 4.214 1.00 10.00 C ATOM 381 CG2 VAL A 23 21.852 19.813 4.433 1.00 10.00 C ATOM 0 H VAL A 23 19.309 20.518 4.222 1.00 10.00 H new ATOM 0 HA VAL A 23 20.997 21.937 5.896 1.00 10.00 H new ATOM 0 HB VAL A 23 21.392 21.348 2.987 1.00 10.00 H new ATOM 0 HG11 VAL A 23 23.830 21.433 3.613 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.028 22.996 3.897 1.00 10.00 H new ATOM 0 HG13 VAL A 23 23.371 21.911 5.265 1.00 10.00 H new ATOM 0 HG21 VAL A 23 22.616 19.337 3.819 1.00 10.00 H new ATOM 0 HG22 VAL A 23 22.139 19.751 5.483 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.900 19.304 4.287 1.00 10.00 H new ATOM 391 N GLN A 24 19.904 23.807 3.345 1.00 10.00 N ATOM 392 CA GLN A 24 19.734 25.198 2.930 1.00 10.00 C ATOM 393 C GLN A 24 19.026 26.027 4.009 1.00 10.00 C ATOM 394 O GLN A 24 19.482 27.110 4.362 1.00 10.00 O ATOM 395 CB GLN A 24 18.957 25.306 1.606 1.00 10.00 C ATOM 396 CG GLN A 24 19.566 24.554 0.414 1.00 10.00 C ATOM 397 CD GLN A 24 21.009 24.929 0.097 1.00 10.00 C ATOM 398 OE1 GLN A 24 21.479 26.016 0.420 1.00 10.00 O ATOM 399 NE2 GLN A 24 21.735 24.026 -0.550 1.00 10.00 N ATOM 0 H GLN A 24 19.526 23.123 2.689 1.00 10.00 H new ATOM 0 HA GLN A 24 20.736 25.600 2.780 1.00 10.00 H new ATOM 0 HB2 GLN A 24 17.945 24.934 1.768 1.00 10.00 H new ATOM 0 HB3 GLN A 24 18.871 26.360 1.342 1.00 10.00 H new ATOM 0 HG2 GLN A 24 19.518 23.484 0.614 1.00 10.00 H new ATOM 0 HG3 GLN A 24 18.954 24.741 -0.468 1.00 10.00 H new ATOM 0 HE21 GLN A 24 21.322 23.130 -0.808 1.00 10.00 H new ATOM 0 HE22 GLN A 24 22.706 24.228 -0.789 1.00 10.00 H new ATOM 408 N ALA A 25 17.899 25.528 4.520 1.00 10.00 N ATOM 409 CA ALA A 25 17.067 26.244 5.476 1.00 10.00 C ATOM 410 C ALA A 25 17.801 26.482 6.797 1.00 10.00 C ATOM 411 O ALA A 25 17.629 27.524 7.427 1.00 10.00 O ATOM 412 CB ALA A 25 15.767 25.472 5.698 1.00 10.00 C ATOM 0 H ALA A 25 17.539 24.605 4.276 1.00 10.00 H new ATOM 0 HA ALA A 25 16.833 27.226 5.065 1.00 10.00 H new ATOM 0 HB1 ALA A 25 15.143 26.008 6.414 1.00 10.00 H new ATOM 0 HB2 ALA A 25 15.234 25.377 4.752 1.00 10.00 H new ATOM 0 HB3 ALA A 25 15.995 24.480 6.087 1.00 10.00 H new ATOM 418 N ILE A 26 18.603 25.510 7.235 1.00 10.00 N ATOM 419 CA ILE A 26 19.450 25.641 8.411 1.00 10.00 C ATOM 420 C ILE A 26 20.611 26.604 8.125 1.00 10.00 C ATOM 421 O ILE A 26 20.960 27.422 8.973 1.00 10.00 O ATOM 422 CB ILE A 26 19.926 24.238 8.842 1.00 10.00 C ATOM 423 CG1 ILE A 26 18.707 23.401 9.277 1.00 10.00 C ATOM 424 CG2 ILE A 26 20.949 24.322 9.986 1.00 10.00 C ATOM 425 CD1 ILE A 26 19.031 21.916 9.470 1.00 10.00 C ATOM 0 H ILE A 26 18.680 24.603 6.775 1.00 10.00 H new ATOM 0 HA ILE A 26 18.890 26.073 9.241 1.00 10.00 H new ATOM 0 HB ILE A 26 20.418 23.761 7.995 1.00 10.00 H new ATOM 0 HG12 ILE A 26 18.312 23.804 10.210 1.00 10.00 H new ATOM 0 HG13 ILE A 26 17.921 23.500 8.529 1.00 10.00 H new ATOM 0 HG21 ILE A 26 21.265 23.317 10.266 1.00 10.00 H new ATOM 0 HG22 ILE A 26 21.816 24.896 9.658 1.00 10.00 H new ATOM 0 HG23 ILE A 26 20.493 24.813 10.846 1.00 10.00 H new ATOM 0 HD11 ILE A 26 18.130 21.384 9.776 1.00 10.00 H new ATOM 0 HD12 ILE A 26 19.398 21.499 8.532 1.00 10.00 H new ATOM 0 HD13 ILE A 26 19.795 21.807 10.239 1.00 10.00 H new ATOM 437 N PHE A 27 21.239 26.482 6.952 1.00 10.00 N ATOM 438 CA PHE A 27 22.481 27.154 6.590 1.00 10.00 C ATOM 439 C PHE A 27 22.696 27.038 5.070 1.00 10.00 C ATOM 440 O PHE A 27 23.149 25.992 4.603 1.00 10.00 O ATOM 441 CB PHE A 27 23.630 26.486 7.355 1.00 10.00 C ATOM 442 CG PHE A 27 25.017 26.978 6.990 1.00 10.00 C ATOM 443 CD1 PHE A 27 25.464 28.240 7.422 1.00 10.00 C ATOM 444 CD2 PHE A 27 25.833 26.198 6.153 1.00 10.00 C ATOM 445 CE1 PHE A 27 26.725 28.714 7.016 1.00 10.00 C ATOM 446 CE2 PHE A 27 27.108 26.650 5.783 1.00 10.00 C ATOM 447 CZ PHE A 27 27.549 27.918 6.200 1.00 10.00 C ATOM 0 H PHE A 27 20.879 25.889 6.204 1.00 10.00 H new ATOM 0 HA PHE A 27 22.441 28.211 6.851 1.00 10.00 H new ATOM 0 HB2 PHE A 27 23.475 26.643 8.422 1.00 10.00 H new ATOM 0 HB3 PHE A 27 23.585 25.411 7.181 1.00 10.00 H new ATOM 0 HD1 PHE A 27 24.840 28.844 8.064 1.00 10.00 H new ATOM 0 HD2 PHE A 27 25.476 25.245 5.792 1.00 10.00 H new ATOM 0 HE1 PHE A 27 27.061 29.691 7.331 1.00 10.00 H new ATOM 0 HE2 PHE A 27 27.750 26.025 5.179 1.00 10.00 H new ATOM 0 HZ PHE A 27 28.519 28.281 5.894 1.00 10.00 H new ATOM 457 N PRO A 28 22.380 28.083 4.287 1.00 10.00 N ATOM 458 CA PRO A 28 22.552 28.090 2.840 1.00 10.00 C ATOM 459 C PRO A 28 23.959 27.656 2.413 1.00 10.00 C ATOM 460 O PRO A 28 24.946 28.209 2.895 1.00 10.00 O ATOM 461 CB PRO A 28 22.225 29.515 2.400 1.00 10.00 C ATOM 462 CG PRO A 28 21.214 29.972 3.450 1.00 10.00 C ATOM 463 CD PRO A 28 21.742 29.314 4.725 1.00 10.00 C ATOM 0 HA PRO A 28 21.894 27.365 2.361 1.00 10.00 H new ATOM 0 HB2 PRO A 28 23.112 30.149 2.390 1.00 10.00 H new ATOM 0 HB3 PRO A 28 21.804 29.541 1.395 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.182 31.058 3.537 1.00 10.00 H new ATOM 0 HG3 PRO A 28 20.203 29.641 3.211 1.00 10.00 H new ATOM 0 HD2 PRO A 28 22.451 29.964 5.238 1.00 10.00 H new ATOM 0 HD3 PRO A 28 20.933 29.110 5.426 1.00 10.00 H new ATOM 471 N THR A 29 24.067 26.672 1.514 1.00 10.00 N ATOM 472 CA THR A 29 25.351 26.129 1.098 1.00 10.00 C ATOM 473 C THR A 29 26.133 27.181 0.303 1.00 10.00 C ATOM 474 O THR A 29 25.635 27.590 -0.747 1.00 10.00 O ATOM 475 CB THR A 29 25.116 24.901 0.208 1.00 10.00 C ATOM 476 OG1 THR A 29 24.224 25.226 -0.841 1.00 10.00 O ATOM 477 CG2 THR A 29 24.551 23.722 1.001 1.00 10.00 C ATOM 0 H THR A 29 23.265 26.235 1.059 1.00 10.00 H new ATOM 0 HA THR A 29 25.923 25.847 1.982 1.00 10.00 H new ATOM 0 HB THR A 29 26.083 24.606 -0.200 1.00 10.00 H new ATOM 0 HG1 THR A 29 24.330 26.170 -1.080 1.00 10.00 H new ATOM 0 HG21 THR A 29 24.400 22.874 0.333 1.00 10.00 H new ATOM 0 HG22 THR A 29 25.252 23.444 1.788 1.00 10.00 H new ATOM 0 HG23 THR A 29 23.598 24.007 1.447 1.00 10.00 H new ATOM 485 N PRO A 30 27.349 27.573 0.721 1.00 10.00 N ATOM 486 CA PRO A 30 28.199 28.475 -0.046 1.00 10.00 C ATOM 487 C PRO A 30 28.380 28.035 -1.503 1.00 10.00 C ATOM 488 O PRO A 30 28.339 28.865 -2.407 1.00 10.00 O ATOM 489 CB PRO A 30 29.533 28.526 0.705 1.00 10.00 C ATOM 490 CG PRO A 30 29.124 28.237 2.148 1.00 10.00 C ATOM 491 CD PRO A 30 27.990 27.226 1.980 1.00 10.00 C ATOM 0 HA PRO A 30 27.740 29.461 -0.120 1.00 10.00 H new ATOM 0 HB2 PRO A 30 30.237 27.784 0.328 1.00 10.00 H new ATOM 0 HB3 PRO A 30 30.014 29.499 0.609 1.00 10.00 H new ATOM 0 HG2 PRO A 30 29.950 27.826 2.728 1.00 10.00 H new ATOM 0 HG3 PRO A 30 28.790 29.138 2.662 1.00 10.00 H new ATOM 0 HD2 PRO A 30 28.373 26.206 1.958 1.00 10.00 H new ATOM 0 HD3 PRO A 30 27.285 27.284 2.809 1.00 10.00 H new ATOM 499 N ASP A 31 28.594 26.735 -1.733 1.00 10.00 N ATOM 500 CA ASP A 31 28.756 26.158 -3.062 1.00 10.00 C ATOM 501 C ASP A 31 28.519 24.651 -2.936 1.00 10.00 C ATOM 502 O ASP A 31 28.920 24.097 -1.915 1.00 10.00 O ATOM 503 CB ASP A 31 30.185 26.429 -3.554 1.00 10.00 C ATOM 504 CG ASP A 31 30.387 25.973 -4.994 1.00 10.00 C ATOM 505 OD1 ASP A 31 30.579 24.751 -5.180 1.00 10.00 O ATOM 506 OD2 ASP A 31 30.324 26.845 -5.886 1.00 10.00 O ATOM 0 H ASP A 31 28.660 26.046 -0.984 1.00 10.00 H new ATOM 0 HA ASP A 31 28.054 26.593 -3.773 1.00 10.00 H new ATOM 0 HB2 ASP A 31 30.399 27.495 -3.477 1.00 10.00 H new ATOM 0 HB3 ASP A 31 30.895 25.914 -2.907 1.00 10.00 H new ATOM 511 N PRO A 32 27.917 23.964 -3.922 1.00 10.00 N ATOM 512 CA PRO A 32 27.813 22.509 -3.931 1.00 10.00 C ATOM 513 C PRO A 32 29.113 21.799 -3.527 1.00 10.00 C ATOM 514 O PRO A 32 29.092 20.889 -2.703 1.00 10.00 O ATOM 515 CB PRO A 32 27.365 22.146 -5.349 1.00 10.00 C ATOM 516 CG PRO A 32 26.505 23.350 -5.733 1.00 10.00 C ATOM 517 CD PRO A 32 27.253 24.521 -5.092 1.00 10.00 C ATOM 0 HA PRO A 32 27.099 22.169 -3.181 1.00 10.00 H new ATOM 0 HB2 PRO A 32 28.212 22.019 -6.024 1.00 10.00 H new ATOM 0 HB3 PRO A 32 26.797 21.216 -5.371 1.00 10.00 H new ATOM 0 HG2 PRO A 32 26.428 23.463 -6.814 1.00 10.00 H new ATOM 0 HG3 PRO A 32 25.489 23.260 -5.348 1.00 10.00 H new ATOM 0 HD2 PRO A 32 27.975 24.952 -5.785 1.00 10.00 H new ATOM 0 HD3 PRO A 32 26.566 25.319 -4.811 1.00 10.00 H new ATOM 525 N ALA A 33 30.257 22.235 -4.063 1.00 10.00 N ATOM 526 CA ALA A 33 31.558 21.669 -3.722 1.00 10.00 C ATOM 527 C ALA A 33 31.804 21.661 -2.209 1.00 10.00 C ATOM 528 O ALA A 33 32.418 20.734 -1.682 1.00 10.00 O ATOM 529 CB ALA A 33 32.662 22.441 -4.449 1.00 10.00 C ATOM 0 H ALA A 33 30.303 22.991 -4.746 1.00 10.00 H new ATOM 0 HA ALA A 33 31.570 20.629 -4.048 1.00 10.00 H new ATOM 0 HB1 ALA A 33 33.632 22.016 -4.192 1.00 10.00 H new ATOM 0 HB2 ALA A 33 32.508 22.369 -5.526 1.00 10.00 H new ATOM 0 HB3 ALA A 33 32.633 23.488 -4.147 1.00 10.00 H new ATOM 535 N ALA A 34 31.301 22.679 -1.502 1.00 10.00 N ATOM 536 CA ALA A 34 31.462 22.808 -0.061 1.00 10.00 C ATOM 537 C ALA A 34 30.964 21.560 0.671 1.00 10.00 C ATOM 538 O ALA A 34 31.502 21.222 1.723 1.00 10.00 O ATOM 539 CB ALA A 34 30.746 24.065 0.449 1.00 10.00 C ATOM 0 H ALA A 34 30.767 23.439 -1.923 1.00 10.00 H new ATOM 0 HA ALA A 34 32.527 22.908 0.150 1.00 10.00 H new ATOM 0 HB1 ALA A 34 30.877 24.146 1.528 1.00 10.00 H new ATOM 0 HB2 ALA A 34 31.168 24.946 -0.035 1.00 10.00 H new ATOM 0 HB3 ALA A 34 29.683 23.998 0.216 1.00 10.00 H new ATOM 545 N LEU A 35 29.968 20.859 0.111 1.00 10.00 N ATOM 546 CA LEU A 35 29.423 19.635 0.689 1.00 10.00 C ATOM 547 C LEU A 35 30.514 18.601 0.994 1.00 10.00 C ATOM 548 O LEU A 35 30.326 17.758 1.866 1.00 10.00 O ATOM 549 CB LEU A 35 28.349 19.036 -0.233 1.00 10.00 C ATOM 550 CG LEU A 35 27.138 19.957 -0.480 1.00 10.00 C ATOM 551 CD1 LEU A 35 26.264 19.354 -1.586 1.00 10.00 C ATOM 552 CD2 LEU A 35 26.285 20.141 0.779 1.00 10.00 C ATOM 0 H LEU A 35 29.518 21.133 -0.763 1.00 10.00 H new ATOM 0 HA LEU A 35 28.963 19.903 1.640 1.00 10.00 H new ATOM 0 HB2 LEU A 35 28.806 18.791 -1.192 1.00 10.00 H new ATOM 0 HB3 LEU A 35 27.996 18.100 0.200 1.00 10.00 H new ATOM 0 HG LEU A 35 27.521 20.935 -0.773 1.00 10.00 H new ATOM 0 HD11 LEU A 35 25.406 20.001 -1.765 1.00 10.00 H new ATOM 0 HD12 LEU A 35 26.848 19.263 -2.502 1.00 10.00 H new ATOM 0 HD13 LEU A 35 25.917 18.368 -1.278 1.00 10.00 H new ATOM 0 HD21 LEU A 35 25.444 20.797 0.556 1.00 10.00 H new ATOM 0 HD22 LEU A 35 25.911 19.172 1.110 1.00 10.00 H new ATOM 0 HD23 LEU A 35 26.892 20.585 1.568 1.00 10.00 H new ATOM 564 N LYS A 36 31.655 18.655 0.298 1.00 10.00 N ATOM 565 CA LYS A 36 32.764 17.742 0.526 1.00 10.00 C ATOM 566 C LYS A 36 33.467 17.971 1.874 1.00 10.00 C ATOM 567 O LYS A 36 34.220 17.102 2.312 1.00 10.00 O ATOM 568 CB LYS A 36 33.757 17.879 -0.632 1.00 10.00 C ATOM 569 CG LYS A 36 33.123 17.478 -1.969 1.00 10.00 C ATOM 570 CD LYS A 36 34.134 17.646 -3.109 1.00 10.00 C ATOM 571 CE LYS A 36 33.509 17.303 -4.467 1.00 10.00 C ATOM 572 NZ LYS A 36 33.123 15.883 -4.553 1.00 10.00 N ATOM 0 H LYS A 36 31.829 19.338 -0.440 1.00 10.00 H new ATOM 0 HA LYS A 36 32.363 16.729 0.568 1.00 10.00 H new ATOM 0 HB2 LYS A 36 34.109 18.909 -0.690 1.00 10.00 H new ATOM 0 HB3 LYS A 36 34.629 17.254 -0.440 1.00 10.00 H new ATOM 0 HG2 LYS A 36 32.785 16.443 -1.923 1.00 10.00 H new ATOM 0 HG3 LYS A 36 32.243 18.092 -2.161 1.00 10.00 H new ATOM 0 HD2 LYS A 36 34.500 18.673 -3.124 1.00 10.00 H new ATOM 0 HD3 LYS A 36 34.996 17.003 -2.931 1.00 10.00 H new ATOM 0 HE2 LYS A 36 32.631 17.928 -4.631 1.00 10.00 H new ATOM 0 HE3 LYS A 36 34.218 17.535 -5.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 32.848 15.657 -5.530 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 33.928 15.287 -4.273 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 32.321 15.702 -3.917 1.00 10.00 H new ATOM 586 N ASP A 37 33.282 19.131 2.517 1.00 10.00 N ATOM 587 CA ASP A 37 34.025 19.508 3.716 1.00 10.00 C ATOM 588 C ASP A 37 33.259 19.151 4.993 1.00 10.00 C ATOM 589 O ASP A 37 32.056 19.394 5.081 1.00 10.00 O ATOM 590 CB ASP A 37 34.325 21.011 3.688 1.00 10.00 C ATOM 591 CG ASP A 37 35.212 21.419 4.862 1.00 10.00 C ATOM 592 OD1 ASP A 37 34.657 21.577 5.972 1.00 10.00 O ATOM 593 OD2 ASP A 37 36.434 21.543 4.636 1.00 10.00 O ATOM 0 H ASP A 37 32.608 19.835 2.215 1.00 10.00 H new ATOM 0 HA ASP A 37 34.959 18.946 3.722 1.00 10.00 H new ATOM 0 HB2 ASP A 37 34.817 21.269 2.750 1.00 10.00 H new ATOM 0 HB3 ASP A 37 33.391 21.572 3.722 1.00 10.00 H new ATOM 598 N ARG A 38 33.985 18.647 6.000 1.00 10.00 N ATOM 599 CA ARG A 38 33.536 18.369 7.366 1.00 10.00 C ATOM 600 C ARG A 38 32.417 19.313 7.832 1.00 10.00 C ATOM 601 O ARG A 38 31.360 18.870 8.290 1.00 10.00 O ATOM 602 CB ARG A 38 34.723 18.446 8.353 1.00 10.00 C ATOM 603 CG ARG A 38 36.080 17.951 7.828 1.00 10.00 C ATOM 604 CD ARG A 38 36.084 16.482 7.381 1.00 10.00 C ATOM 605 NE ARG A 38 37.058 16.281 6.297 1.00 10.00 N ATOM 606 CZ ARG A 38 36.789 16.327 4.982 1.00 10.00 C ATOM 607 NH1 ARG A 38 35.529 16.346 4.538 1.00 10.00 N ATOM 608 NH2 ARG A 38 37.796 16.360 4.105 1.00 10.00 N ATOM 0 H ARG A 38 34.968 18.407 5.870 1.00 10.00 H new ATOM 0 HA ARG A 38 33.127 17.359 7.355 1.00 10.00 H new ATOM 0 HB2 ARG A 38 34.837 19.482 8.671 1.00 10.00 H new ATOM 0 HB3 ARG A 38 34.468 17.867 9.240 1.00 10.00 H new ATOM 0 HG2 ARG A 38 36.381 18.576 6.987 1.00 10.00 H new ATOM 0 HG3 ARG A 38 36.829 18.084 8.608 1.00 10.00 H new ATOM 0 HD2 ARG A 38 36.331 15.839 8.225 1.00 10.00 H new ATOM 0 HD3 ARG A 38 35.088 16.195 7.042 1.00 10.00 H new ATOM 0 HE ARG A 38 38.023 16.090 6.568 1.00 10.00 H new ATOM 0 HH11 ARG A 38 34.754 16.326 5.201 1.00 10.00 H new ATOM 0 HH12 ARG A 38 35.342 16.381 3.536 1.00 10.00 H new ATOM 0 HH21 ARG A 38 38.761 16.350 4.436 1.00 10.00 H new ATOM 0 HH22 ARG A 38 37.600 16.395 3.105 1.00 10.00 H new ATOM 622 N ARG A 39 32.673 20.621 7.724 1.00 10.00 N ATOM 623 CA ARG A 39 31.781 21.680 8.174 1.00 10.00 C ATOM 624 C ARG A 39 30.380 21.527 7.578 1.00 10.00 C ATOM 625 O ARG A 39 29.393 21.767 8.270 1.00 10.00 O ATOM 626 CB ARG A 39 32.407 23.043 7.829 1.00 10.00 C ATOM 627 CG ARG A 39 31.477 24.248 8.027 1.00 10.00 C ATOM 628 CD ARG A 39 30.928 24.381 9.455 1.00 10.00 C ATOM 629 NE ARG A 39 29.964 25.484 9.545 1.00 10.00 N ATOM 630 CZ ARG A 39 28.737 25.477 9.001 1.00 10.00 C ATOM 631 NH1 ARG A 39 28.264 24.389 8.381 1.00 10.00 N ATOM 632 NH2 ARG A 39 27.981 26.576 9.073 1.00 10.00 N ATOM 0 H ARG A 39 33.534 20.976 7.308 1.00 10.00 H new ATOM 0 HA ARG A 39 31.659 21.612 9.255 1.00 10.00 H new ATOM 0 HB2 ARG A 39 33.297 23.184 8.443 1.00 10.00 H new ATOM 0 HB3 ARG A 39 32.736 23.023 6.790 1.00 10.00 H new ATOM 0 HG2 ARG A 39 32.018 25.159 7.770 1.00 10.00 H new ATOM 0 HG3 ARG A 39 30.641 24.167 7.333 1.00 10.00 H new ATOM 0 HD2 ARG A 39 30.449 23.449 9.753 1.00 10.00 H new ATOM 0 HD3 ARG A 39 31.750 24.553 10.150 1.00 10.00 H new ATOM 0 HE ARG A 39 30.248 26.318 10.059 1.00 10.00 H new ATOM 0 HH11 ARG A 39 28.838 23.549 8.317 1.00 10.00 H new ATOM 0 HH12 ARG A 39 27.329 24.400 7.973 1.00 10.00 H new ATOM 0 HH21 ARG A 39 28.338 27.411 9.538 1.00 10.00 H new ATOM 0 HH22 ARG A 39 27.047 26.580 8.663 1.00 10.00 H new ATOM 646 N MET A 40 30.281 21.175 6.295 1.00 10.00 N ATOM 647 CA MET A 40 29.009 20.890 5.657 1.00 10.00 C ATOM 648 C MET A 40 28.550 19.474 5.979 1.00 10.00 C ATOM 649 O MET A 40 27.387 19.275 6.325 1.00 10.00 O ATOM 650 CB MET A 40 29.128 21.108 4.152 1.00 10.00 C ATOM 651 CG MET A 40 29.184 22.601 3.810 1.00 10.00 C ATOM 652 SD MET A 40 27.643 23.375 3.254 1.00 10.00 S ATOM 653 CE MET A 40 26.503 22.952 4.589 1.00 10.00 C ATOM 0 H MET A 40 31.085 21.081 5.674 1.00 10.00 H new ATOM 0 HA MET A 40 28.253 21.573 6.045 1.00 10.00 H new ATOM 0 HB2 MET A 40 30.025 20.613 3.780 1.00 10.00 H new ATOM 0 HB3 MET A 40 28.278 20.648 3.647 1.00 10.00 H new ATOM 0 HG2 MET A 40 29.534 23.138 4.692 1.00 10.00 H new ATOM 0 HG3 MET A 40 29.934 22.743 3.032 1.00 10.00 H new ATOM 0 HE1 MET A 40 25.533 23.412 4.399 1.00 10.00 H new ATOM 0 HE2 MET A 40 26.387 21.869 4.639 1.00 10.00 H new ATOM 0 HE3 MET A 40 26.899 23.319 5.536 1.00 10.00 H new ATOM 663 N GLU A 41 29.451 18.494 5.853 1.00 10.00 N ATOM 664 CA GLU A 41 29.136 17.083 6.046 1.00 10.00 C ATOM 665 C GLU A 41 28.355 16.844 7.338 1.00 10.00 C ATOM 666 O GLU A 41 27.433 16.035 7.354 1.00 10.00 O ATOM 667 CB GLU A 41 30.405 16.230 6.006 1.00 10.00 C ATOM 668 CG GLU A 41 30.993 16.179 4.589 1.00 10.00 C ATOM 669 CD GLU A 41 32.282 15.369 4.533 1.00 10.00 C ATOM 670 OE1 GLU A 41 33.087 15.519 5.478 1.00 10.00 O ATOM 671 OE2 GLU A 41 32.444 14.615 3.550 1.00 10.00 O ATOM 0 H GLU A 41 30.427 18.664 5.612 1.00 10.00 H new ATOM 0 HA GLU A 41 28.493 16.778 5.220 1.00 10.00 H new ATOM 0 HB2 GLU A 41 31.144 16.639 6.695 1.00 10.00 H new ATOM 0 HB3 GLU A 41 30.178 15.219 6.345 1.00 10.00 H new ATOM 0 HG2 GLU A 41 30.261 15.743 3.909 1.00 10.00 H new ATOM 0 HG3 GLU A 41 31.187 17.193 4.241 1.00 10.00 H new ATOM 678 N ASN A 42 28.693 17.560 8.410 1.00 10.00 N ATOM 679 CA ASN A 42 27.924 17.499 9.652 1.00 10.00 C ATOM 680 C ASN A 42 26.445 17.843 9.425 1.00 10.00 C ATOM 681 O ASN A 42 25.564 17.121 9.891 1.00 10.00 O ATOM 682 CB ASN A 42 28.536 18.419 10.717 1.00 10.00 C ATOM 683 CG ASN A 42 29.714 17.762 11.431 1.00 10.00 C ATOM 684 OD1 ASN A 42 29.550 17.186 12.501 1.00 10.00 O ATOM 685 ND2 ASN A 42 30.912 17.836 10.860 1.00 10.00 N ATOM 0 H ASN A 42 29.495 18.189 8.443 1.00 10.00 H new ATOM 0 HA ASN A 42 27.970 16.471 10.012 1.00 10.00 H new ATOM 0 HB2 ASN A 42 28.867 19.346 10.249 1.00 10.00 H new ATOM 0 HB3 ASN A 42 27.772 18.686 11.448 1.00 10.00 H new ATOM 0 HD21 ASN A 42 31.720 17.408 11.312 1.00 10.00 H new ATOM 0 HD22 ASN A 42 31.023 18.321 9.969 1.00 10.00 H new ATOM 692 N LEU A 43 26.155 18.936 8.713 1.00 10.00 N ATOM 693 CA LEU A 43 24.781 19.352 8.455 1.00 10.00 C ATOM 694 C LEU A 43 24.121 18.371 7.497 1.00 10.00 C ATOM 695 O LEU A 43 22.965 18.016 7.695 1.00 10.00 O ATOM 696 CB LEU A 43 24.688 20.770 7.878 1.00 10.00 C ATOM 697 CG LEU A 43 24.898 21.874 8.924 1.00 10.00 C ATOM 698 CD1 LEU A 43 26.369 21.991 9.312 1.00 10.00 C ATOM 699 CD2 LEU A 43 24.446 23.212 8.334 1.00 10.00 C ATOM 0 H LEU A 43 26.861 19.549 8.305 1.00 10.00 H new ATOM 0 HA LEU A 43 24.263 19.358 9.414 1.00 10.00 H new ATOM 0 HB2 LEU A 43 25.432 20.882 7.089 1.00 10.00 H new ATOM 0 HB3 LEU A 43 23.710 20.901 7.415 1.00 10.00 H new ATOM 0 HG LEU A 43 24.317 21.621 9.811 1.00 10.00 H new ATOM 0 HD11 LEU A 43 26.488 22.781 10.054 1.00 10.00 H new ATOM 0 HD12 LEU A 43 26.711 21.045 9.731 1.00 10.00 H new ATOM 0 HD13 LEU A 43 26.960 22.231 8.428 1.00 10.00 H new ATOM 0 HD21 LEU A 43 24.592 24.002 9.071 1.00 10.00 H new ATOM 0 HD22 LEU A 43 25.033 23.434 7.443 1.00 10.00 H new ATOM 0 HD23 LEU A 43 23.391 23.154 8.068 1.00 10.00 H new ATOM 711 N VAL A 44 24.843 17.934 6.463 1.00 10.00 N ATOM 712 CA VAL A 44 24.345 16.919 5.543 1.00 10.00 C ATOM 713 C VAL A 44 23.910 15.681 6.342 1.00 10.00 C ATOM 714 O VAL A 44 22.785 15.207 6.199 1.00 10.00 O ATOM 715 CB VAL A 44 25.413 16.603 4.481 1.00 10.00 C ATOM 716 CG1 VAL A 44 24.958 15.481 3.538 1.00 10.00 C ATOM 717 CG2 VAL A 44 25.752 17.842 3.635 1.00 10.00 C ATOM 0 H VAL A 44 25.780 18.272 6.244 1.00 10.00 H new ATOM 0 HA VAL A 44 23.470 17.285 5.007 1.00 10.00 H new ATOM 0 HB VAL A 44 26.300 16.281 5.027 1.00 10.00 H new ATOM 0 HG11 VAL A 44 25.738 15.286 2.802 1.00 10.00 H new ATOM 0 HG12 VAL A 44 24.768 14.576 4.115 1.00 10.00 H new ATOM 0 HG13 VAL A 44 24.044 15.784 3.027 1.00 10.00 H new ATOM 0 HG21 VAL A 44 26.509 17.582 2.896 1.00 10.00 H new ATOM 0 HG22 VAL A 44 24.854 18.192 3.126 1.00 10.00 H new ATOM 0 HG23 VAL A 44 26.133 18.631 4.283 1.00 10.00 H new ATOM 727 N ALA A 45 24.792 15.179 7.209 1.00 10.00 N ATOM 728 CA ALA A 45 24.537 14.026 8.057 1.00 10.00 C ATOM 729 C ALA A 45 23.321 14.261 8.954 1.00 10.00 C ATOM 730 O ALA A 45 22.394 13.455 8.958 1.00 10.00 O ATOM 731 CB ALA A 45 25.787 13.696 8.878 1.00 10.00 C ATOM 0 H ALA A 45 25.722 15.576 7.339 1.00 10.00 H new ATOM 0 HA ALA A 45 24.307 13.169 7.425 1.00 10.00 H new ATOM 0 HB1 ALA A 45 25.589 12.831 9.511 1.00 10.00 H new ATOM 0 HB2 ALA A 45 26.615 13.471 8.206 1.00 10.00 H new ATOM 0 HB3 ALA A 45 26.048 14.550 9.502 1.00 10.00 H new ATOM 737 N TYR A 46 23.313 15.365 9.707 1.00 10.00 N ATOM 738 CA TYR A 46 22.185 15.731 10.556 1.00 10.00 C ATOM 739 C TYR A 46 20.885 15.749 9.751 1.00 10.00 C ATOM 740 O TYR A 46 19.885 15.174 10.170 1.00 10.00 O ATOM 741 CB TYR A 46 22.449 17.098 11.199 1.00 10.00 C ATOM 742 CG TYR A 46 21.281 17.629 12.007 1.00 10.00 C ATOM 743 CD1 TYR A 46 21.085 17.195 13.330 1.00 10.00 C ATOM 744 CD2 TYR A 46 20.336 18.483 11.403 1.00 10.00 C ATOM 745 CE1 TYR A 46 19.964 17.635 14.056 1.00 10.00 C ATOM 746 CE2 TYR A 46 19.209 18.910 12.125 1.00 10.00 C ATOM 747 CZ TYR A 46 19.033 18.500 13.457 1.00 10.00 C ATOM 748 OH TYR A 46 17.982 18.971 14.185 1.00 10.00 O ATOM 0 H TYR A 46 24.089 16.026 9.742 1.00 10.00 H new ATOM 0 HA TYR A 46 22.076 14.986 11.344 1.00 10.00 H new ATOM 0 HB2 TYR A 46 23.322 17.022 11.847 1.00 10.00 H new ATOM 0 HB3 TYR A 46 22.694 17.816 10.416 1.00 10.00 H new ATOM 0 HD1 TYR A 46 21.796 16.523 13.789 1.00 10.00 H new ATOM 0 HD2 TYR A 46 20.479 18.810 10.383 1.00 10.00 H new ATOM 0 HE1 TYR A 46 19.819 17.308 15.075 1.00 10.00 H new ATOM 0 HE2 TYR A 46 18.479 19.553 11.656 1.00 10.00 H new ATOM 0 HH TYR A 46 17.927 19.945 14.088 1.00 10.00 H new ATOM 758 N ALA A 47 20.889 16.416 8.599 1.00 10.00 N ATOM 759 CA ALA A 47 19.728 16.518 7.735 1.00 10.00 C ATOM 760 C ALA A 47 19.264 15.132 7.288 1.00 10.00 C ATOM 761 O ALA A 47 18.076 14.837 7.375 1.00 10.00 O ATOM 762 CB ALA A 47 20.044 17.429 6.547 1.00 10.00 C ATOM 0 H ALA A 47 21.710 16.904 8.240 1.00 10.00 H new ATOM 0 HA ALA A 47 18.904 16.966 8.290 1.00 10.00 H new ATOM 0 HB1 ALA A 47 19.169 17.502 5.902 1.00 10.00 H new ATOM 0 HB2 ALA A 47 20.311 18.421 6.910 1.00 10.00 H new ATOM 0 HB3 ALA A 47 20.878 17.013 5.982 1.00 10.00 H new ATOM 768 N LYS A 48 20.184 14.274 6.833 1.00 10.00 N ATOM 769 CA LYS A 48 19.866 12.892 6.492 1.00 10.00 C ATOM 770 C LYS A 48 19.205 12.182 7.676 1.00 10.00 C ATOM 771 O LYS A 48 18.125 11.613 7.528 1.00 10.00 O ATOM 772 CB LYS A 48 21.121 12.144 6.019 1.00 10.00 C ATOM 773 CG LYS A 48 21.505 12.560 4.595 1.00 10.00 C ATOM 774 CD LYS A 48 22.782 11.839 4.144 1.00 10.00 C ATOM 775 CE LYS A 48 23.131 12.178 2.689 1.00 10.00 C ATOM 776 NZ LYS A 48 22.181 11.571 1.738 1.00 10.00 N ATOM 0 H LYS A 48 21.164 14.521 6.693 1.00 10.00 H new ATOM 0 HA LYS A 48 19.154 12.896 5.667 1.00 10.00 H new ATOM 0 HB2 LYS A 48 21.949 12.350 6.697 1.00 10.00 H new ATOM 0 HB3 LYS A 48 20.942 11.069 6.052 1.00 10.00 H new ATOM 0 HG2 LYS A 48 20.689 12.327 3.911 1.00 10.00 H new ATOM 0 HG3 LYS A 48 21.657 13.639 4.555 1.00 10.00 H new ATOM 0 HD2 LYS A 48 23.610 12.122 4.794 1.00 10.00 H new ATOM 0 HD3 LYS A 48 22.649 10.762 4.247 1.00 10.00 H new ATOM 0 HE2 LYS A 48 23.133 13.260 2.559 1.00 10.00 H new ATOM 0 HE3 LYS A 48 24.139 11.829 2.467 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 22.518 11.724 0.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 22.109 10.550 1.923 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 21.246 12.010 1.854 1.00 10.00 H new ATOM 790 N LYS A 49 19.842 12.223 8.848 1.00 10.00 N ATOM 791 CA LYS A 49 19.318 11.623 10.067 1.00 10.00 C ATOM 792 C LYS A 49 17.892 12.114 10.352 1.00 10.00 C ATOM 793 O LYS A 49 16.970 11.311 10.501 1.00 10.00 O ATOM 794 CB LYS A 49 20.271 11.931 11.232 1.00 10.00 C ATOM 795 CG LYS A 49 21.560 11.104 11.150 1.00 10.00 C ATOM 796 CD LYS A 49 22.536 11.548 12.248 1.00 10.00 C ATOM 797 CE LYS A 49 23.852 10.762 12.205 1.00 10.00 C ATOM 798 NZ LYS A 49 23.658 9.339 12.538 1.00 10.00 N ATOM 0 H LYS A 49 20.745 12.680 8.974 1.00 10.00 H new ATOM 0 HA LYS A 49 19.259 10.542 9.943 1.00 10.00 H new ATOM 0 HB2 LYS A 49 20.520 12.992 11.227 1.00 10.00 H new ATOM 0 HB3 LYS A 49 19.768 11.726 12.177 1.00 10.00 H new ATOM 0 HG2 LYS A 49 21.330 10.044 11.262 1.00 10.00 H new ATOM 0 HG3 LYS A 49 22.020 11.228 10.170 1.00 10.00 H new ATOM 0 HD2 LYS A 49 22.746 12.612 12.137 1.00 10.00 H new ATOM 0 HD3 LYS A 49 22.068 11.416 13.223 1.00 10.00 H new ATOM 0 HE2 LYS A 49 24.291 10.845 11.211 1.00 10.00 H new ATOM 0 HE3 LYS A 49 24.561 11.204 12.905 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 24.583 8.867 12.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 23.170 9.260 13.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 23.084 8.885 11.799 1.00 10.00 H new ATOM 812 N VAL A 50 17.706 13.433 10.438 1.00 10.00 N ATOM 813 CA VAL A 50 16.435 14.024 10.830 1.00 10.00 C ATOM 814 C VAL A 50 15.360 13.741 9.775 1.00 10.00 C ATOM 815 O VAL A 50 14.252 13.334 10.121 1.00 10.00 O ATOM 816 CB VAL A 50 16.622 15.511 11.217 1.00 10.00 C ATOM 817 CG1 VAL A 50 16.122 16.527 10.186 1.00 10.00 C ATOM 818 CG2 VAL A 50 15.936 15.802 12.554 1.00 10.00 C ATOM 0 H VAL A 50 18.435 14.117 10.237 1.00 10.00 H new ATOM 0 HA VAL A 50 16.060 13.550 11.737 1.00 10.00 H new ATOM 0 HB VAL A 50 17.703 15.640 11.277 1.00 10.00 H new ATOM 0 HG11 VAL A 50 16.300 17.537 10.555 1.00 10.00 H new ATOM 0 HG12 VAL A 50 16.655 16.384 9.246 1.00 10.00 H new ATOM 0 HG13 VAL A 50 15.054 16.384 10.022 1.00 10.00 H new ATOM 0 HG21 VAL A 50 16.076 16.851 12.814 1.00 10.00 H new ATOM 0 HG22 VAL A 50 14.871 15.587 12.471 1.00 10.00 H new ATOM 0 HG23 VAL A 50 16.373 15.175 13.331 1.00 10.00 H new ATOM 828 N GLU A 51 15.678 13.903 8.485 1.00 10.00 N ATOM 829 CA GLU A 51 14.775 13.540 7.411 1.00 10.00 C ATOM 830 C GLU A 51 14.386 12.068 7.533 1.00 10.00 C ATOM 831 O GLU A 51 13.206 11.744 7.452 1.00 10.00 O ATOM 832 CB GLU A 51 15.421 13.894 6.069 1.00 10.00 C ATOM 833 CG GLU A 51 14.487 13.627 4.882 1.00 10.00 C ATOM 834 CD GLU A 51 14.511 12.166 4.447 1.00 10.00 C ATOM 835 OE1 GLU A 51 15.619 11.610 4.285 1.00 10.00 O ATOM 836 OE2 GLU A 51 13.402 11.627 4.270 1.00 10.00 O ATOM 0 H GLU A 51 16.567 14.289 8.168 1.00 10.00 H new ATOM 0 HA GLU A 51 13.846 14.107 7.477 1.00 10.00 H new ATOM 0 HB2 GLU A 51 15.708 14.946 6.073 1.00 10.00 H new ATOM 0 HB3 GLU A 51 16.336 13.315 5.945 1.00 10.00 H new ATOM 0 HG2 GLU A 51 13.469 13.907 5.153 1.00 10.00 H new ATOM 0 HG3 GLU A 51 14.779 14.259 4.043 1.00 10.00 H new ATOM 843 N GLY A 52 15.364 11.187 7.752 1.00 10.00 N ATOM 844 CA GLY A 52 15.130 9.781 8.038 1.00 10.00 C ATOM 845 C GLY A 52 14.085 9.620 9.139 1.00 10.00 C ATOM 846 O GLY A 52 13.044 9.001 8.921 1.00 10.00 O ATOM 0 H GLY A 52 16.352 11.439 7.734 1.00 10.00 H new ATOM 0 HA2 GLY A 52 14.795 9.272 7.134 1.00 10.00 H new ATOM 0 HA3 GLY A 52 16.063 9.307 8.343 1.00 10.00 H new ATOM 850 N ASP A 53 14.352 10.199 10.314 1.00 10.00 N ATOM 851 CA ASP A 53 13.437 10.157 11.449 1.00 10.00 C ATOM 852 C ASP A 53 12.019 10.546 11.027 1.00 10.00 C ATOM 853 O ASP A 53 11.068 9.808 11.296 1.00 10.00 O ATOM 854 CB ASP A 53 13.948 11.053 12.581 1.00 10.00 C ATOM 855 CG ASP A 53 13.025 10.987 13.792 1.00 10.00 C ATOM 856 OD1 ASP A 53 13.125 9.980 14.525 1.00 10.00 O ATOM 857 OD2 ASP A 53 12.240 11.944 13.961 1.00 10.00 O ATOM 0 H ASP A 53 15.214 10.711 10.501 1.00 10.00 H new ATOM 0 HA ASP A 53 13.397 9.133 11.820 1.00 10.00 H new ATOM 0 HB2 ASP A 53 14.953 10.744 12.868 1.00 10.00 H new ATOM 0 HB3 ASP A 53 14.020 12.082 12.230 1.00 10.00 H new ATOM 862 N MET A 54 11.871 11.684 10.345 1.00 10.00 N ATOM 863 CA MET A 54 10.561 12.113 9.877 1.00 10.00 C ATOM 864 C MET A 54 9.950 11.108 8.907 1.00 10.00 C ATOM 865 O MET A 54 8.767 10.812 9.019 1.00 10.00 O ATOM 866 CB MET A 54 10.612 13.500 9.238 1.00 10.00 C ATOM 867 CG MET A 54 11.060 14.576 10.226 1.00 10.00 C ATOM 868 SD MET A 54 10.309 14.536 11.871 1.00 10.00 S ATOM 869 CE MET A 54 11.062 16.039 12.488 1.00 10.00 C ATOM 0 H MET A 54 12.636 12.316 10.109 1.00 10.00 H new ATOM 0 HA MET A 54 9.921 12.168 10.758 1.00 10.00 H new ATOM 0 HB2 MET A 54 11.295 13.482 8.389 1.00 10.00 H new ATOM 0 HB3 MET A 54 9.626 13.755 8.848 1.00 10.00 H new ATOM 0 HG2 MET A 54 12.141 14.500 10.344 1.00 10.00 H new ATOM 0 HG3 MET A 54 10.856 15.551 9.783 1.00 10.00 H new ATOM 0 HE1 MET A 54 11.721 15.800 13.323 1.00 10.00 H new ATOM 0 HE2 MET A 54 11.640 16.509 11.693 1.00 10.00 H new ATOM 0 HE3 MET A 54 10.284 16.724 12.825 1.00 10.00 H new ATOM 879 N TYR A 55 10.727 10.586 7.959 1.00 10.00 N ATOM 880 CA TYR A 55 10.237 9.625 6.982 1.00 10.00 C ATOM 881 C TYR A 55 9.667 8.396 7.689 1.00 10.00 C ATOM 882 O TYR A 55 8.589 7.916 7.348 1.00 10.00 O ATOM 883 CB TYR A 55 11.361 9.245 6.011 1.00 10.00 C ATOM 884 CG TYR A 55 10.880 8.751 4.660 1.00 10.00 C ATOM 885 CD1 TYR A 55 10.371 7.449 4.507 1.00 10.00 C ATOM 886 CD2 TYR A 55 10.971 9.595 3.538 1.00 10.00 C ATOM 887 CE1 TYR A 55 9.950 7.010 3.238 1.00 10.00 C ATOM 888 CE2 TYR A 55 10.609 9.135 2.266 1.00 10.00 C ATOM 889 CZ TYR A 55 10.099 7.842 2.112 1.00 10.00 C ATOM 890 OH TYR A 55 9.806 7.385 0.863 1.00 10.00 O ATOM 0 H TYR A 55 11.714 10.820 7.850 1.00 10.00 H new ATOM 0 HA TYR A 55 9.432 10.078 6.403 1.00 10.00 H new ATOM 0 HB2 TYR A 55 12.003 10.113 5.860 1.00 10.00 H new ATOM 0 HB3 TYR A 55 11.975 8.470 6.470 1.00 10.00 H new ATOM 0 HD1 TYR A 55 10.304 6.789 5.359 1.00 10.00 H new ATOM 0 HD2 TYR A 55 11.324 10.609 3.659 1.00 10.00 H new ATOM 0 HE1 TYR A 55 9.510 6.030 3.127 1.00 10.00 H new ATOM 0 HE2 TYR A 55 10.723 9.778 1.405 1.00 10.00 H new ATOM 0 HH TYR A 55 9.998 8.086 0.205 1.00 10.00 H new ATOM 900 N GLU A 56 10.396 7.886 8.683 1.00 10.00 N ATOM 901 CA GLU A 56 9.974 6.733 9.455 1.00 10.00 C ATOM 902 C GLU A 56 8.758 7.065 10.336 1.00 10.00 C ATOM 903 O GLU A 56 7.867 6.235 10.494 1.00 10.00 O ATOM 904 CB GLU A 56 11.168 6.226 10.269 1.00 10.00 C ATOM 905 CG GLU A 56 12.364 5.810 9.392 1.00 10.00 C ATOM 906 CD GLU A 56 12.112 4.611 8.481 1.00 10.00 C ATOM 907 OE1 GLU A 56 11.221 3.800 8.814 1.00 10.00 O ATOM 908 OE2 GLU A 56 12.834 4.520 7.462 1.00 10.00 O ATOM 0 H GLU A 56 11.297 8.267 8.970 1.00 10.00 H new ATOM 0 HA GLU A 56 9.646 5.938 8.786 1.00 10.00 H new ATOM 0 HB2 GLU A 56 11.486 7.006 10.961 1.00 10.00 H new ATOM 0 HB3 GLU A 56 10.854 5.374 10.872 1.00 10.00 H new ATOM 0 HG2 GLU A 56 12.656 6.660 8.776 1.00 10.00 H new ATOM 0 HG3 GLU A 56 13.209 5.582 10.041 1.00 10.00 H new ATOM 915 N SER A 57 8.713 8.265 10.922 1.00 10.00 N ATOM 916 CA SER A 57 7.620 8.667 11.807 1.00 10.00 C ATOM 917 C SER A 57 6.318 8.947 11.038 1.00 10.00 C ATOM 918 O SER A 57 5.228 8.547 11.449 1.00 10.00 O ATOM 919 CB SER A 57 8.044 9.904 12.611 1.00 10.00 C ATOM 920 OG SER A 57 9.224 9.630 13.341 1.00 10.00 O ATOM 0 H SER A 57 9.429 8.980 10.796 1.00 10.00 H new ATOM 0 HA SER A 57 7.414 7.837 12.483 1.00 10.00 H new ATOM 0 HB2 SER A 57 8.211 10.745 11.938 1.00 10.00 H new ATOM 0 HB3 SER A 57 7.245 10.195 13.293 1.00 10.00 H new ATOM 0 HG SER A 57 9.995 9.655 12.737 1.00 10.00 H new ATOM 926 N ALA A 58 6.425 9.695 9.943 1.00 10.00 N ATOM 927 CA ALA A 58 5.304 10.242 9.203 1.00 10.00 C ATOM 928 C ALA A 58 4.453 9.137 8.580 1.00 10.00 C ATOM 929 O ALA A 58 4.884 8.434 7.669 1.00 10.00 O ATOM 930 CB ALA A 58 5.832 11.191 8.135 1.00 10.00 C ATOM 0 H ALA A 58 7.328 9.942 9.537 1.00 10.00 H new ATOM 0 HA ALA A 58 4.659 10.790 9.890 1.00 10.00 H new ATOM 0 HB1 ALA A 58 4.996 11.608 7.573 1.00 10.00 H new ATOM 0 HB2 ALA A 58 6.389 11.999 8.609 1.00 10.00 H new ATOM 0 HB3 ALA A 58 6.489 10.646 7.457 1.00 10.00 H new ATOM 936 N ASN A 59 3.201 9.023 9.017 1.00 10.00 N ATOM 937 CA ASN A 59 2.249 8.060 8.474 1.00 10.00 C ATOM 938 C ASN A 59 1.485 8.658 7.280 1.00 10.00 C ATOM 939 O ASN A 59 0.426 8.161 6.909 1.00 10.00 O ATOM 940 CB ASN A 59 1.327 7.570 9.603 1.00 10.00 C ATOM 941 CG ASN A 59 1.976 6.489 10.473 1.00 10.00 C ATOM 942 OD1 ASN A 59 1.463 5.378 10.554 1.00 10.00 O ATOM 943 ND2 ASN A 59 3.099 6.765 11.133 1.00 10.00 N ATOM 0 H ASN A 59 2.817 9.602 9.764 1.00 10.00 H new ATOM 0 HA ASN A 59 2.777 7.191 8.081 1.00 10.00 H new ATOM 0 HB2 ASN A 59 1.048 8.416 10.231 1.00 10.00 H new ATOM 0 HB3 ASN A 59 0.407 7.177 9.170 1.00 10.00 H new ATOM 0 HD21 ASN A 59 3.539 6.050 11.712 1.00 10.00 H new ATOM 0 HD22 ASN A 59 3.519 7.692 11.060 1.00 10.00 H new ATOM 950 N SER A 60 2.022 9.708 6.646 1.00 10.00 N ATOM 951 CA SER A 60 1.498 10.307 5.426 1.00 10.00 C ATOM 952 C SER A 60 2.555 11.260 4.873 1.00 10.00 C ATOM 953 O SER A 60 3.311 11.855 5.640 1.00 10.00 O ATOM 954 CB SER A 60 0.181 11.046 5.703 1.00 10.00 C ATOM 955 OG SER A 60 -0.186 11.847 4.591 1.00 10.00 O ATOM 0 H SER A 60 2.863 10.175 6.986 1.00 10.00 H new ATOM 0 HA SER A 60 1.281 9.531 4.693 1.00 10.00 H new ATOM 0 HB2 SER A 60 -0.609 10.325 5.915 1.00 10.00 H new ATOM 0 HB3 SER A 60 0.288 11.672 6.589 1.00 10.00 H new ATOM 0 HG SER A 60 -1.028 12.309 4.785 1.00 10.00 H new ATOM 961 N ARG A 61 2.573 11.432 3.550 1.00 10.00 N ATOM 962 CA ARG A 61 3.366 12.453 2.881 1.00 10.00 C ATOM 963 C ARG A 61 3.019 13.836 3.438 1.00 10.00 C ATOM 964 O ARG A 61 3.898 14.666 3.660 1.00 10.00 O ATOM 965 CB ARG A 61 3.101 12.381 1.375 1.00 10.00 C ATOM 966 CG ARG A 61 3.852 13.475 0.608 1.00 10.00 C ATOM 967 CD ARG A 61 3.704 13.230 -0.888 1.00 10.00 C ATOM 968 NE ARG A 61 4.357 14.292 -1.671 1.00 10.00 N ATOM 969 CZ ARG A 61 5.150 14.131 -2.741 1.00 10.00 C ATOM 970 NH1 ARG A 61 5.562 12.920 -3.127 1.00 10.00 N ATOM 971 NH2 ARG A 61 5.525 15.212 -3.427 1.00 10.00 N ATOM 0 H ARG A 61 2.028 10.856 2.909 1.00 10.00 H new ATOM 0 HA ARG A 61 4.427 12.279 3.061 1.00 10.00 H new ATOM 0 HB2 ARG A 61 3.402 11.403 1.000 1.00 10.00 H new ATOM 0 HB3 ARG A 61 2.031 12.477 1.190 1.00 10.00 H new ATOM 0 HG2 ARG A 61 3.455 14.456 0.869 1.00 10.00 H new ATOM 0 HG3 ARG A 61 4.906 13.473 0.886 1.00 10.00 H new ATOM 0 HD2 ARG A 61 4.140 12.265 -1.146 1.00 10.00 H new ATOM 0 HD3 ARG A 61 2.647 13.181 -1.148 1.00 10.00 H new ATOM 0 HE ARG A 61 4.189 15.251 -1.368 1.00 10.00 H new ATOM 0 HH11 ARG A 61 5.274 12.093 -2.605 1.00 10.00 H new ATOM 0 HH12 ARG A 61 6.165 12.823 -3.944 1.00 10.00 H new ATOM 0 HH21 ARG A 61 5.209 16.137 -3.134 1.00 10.00 H new ATOM 0 HH22 ARG A 61 6.128 15.114 -4.244 1.00 10.00 H new ATOM 985 N ASP A 62 1.727 14.086 3.663 1.00 10.00 N ATOM 986 CA ASP A 62 1.265 15.345 4.234 1.00 10.00 C ATOM 987 C ASP A 62 1.936 15.590 5.588 1.00 10.00 C ATOM 988 O ASP A 62 2.498 16.660 5.822 1.00 10.00 O ATOM 989 CB ASP A 62 -0.261 15.336 4.351 1.00 10.00 C ATOM 990 CG ASP A 62 -0.777 16.633 4.967 1.00 10.00 C ATOM 991 OD1 ASP A 62 -1.025 17.574 4.184 1.00 10.00 O ATOM 992 OD2 ASP A 62 -0.915 16.652 6.209 1.00 10.00 O ATOM 0 H ASP A 62 0.979 13.424 3.455 1.00 10.00 H new ATOM 0 HA ASP A 62 1.545 16.167 3.575 1.00 10.00 H new ATOM 0 HB2 ASP A 62 -0.703 15.199 3.364 1.00 10.00 H new ATOM 0 HB3 ASP A 62 -0.576 14.490 4.962 1.00 10.00 H new ATOM 997 N GLU A 63 1.906 14.576 6.463 1.00 10.00 N ATOM 998 CA GLU A 63 2.579 14.639 7.753 1.00 10.00 C ATOM 999 C GLU A 63 4.062 14.924 7.527 1.00 10.00 C ATOM 1000 O GLU A 63 4.591 15.887 8.066 1.00 10.00 O ATOM 1001 CB GLU A 63 2.341 13.351 8.562 1.00 10.00 C ATOM 1002 CG GLU A 63 3.016 13.404 9.942 1.00 10.00 C ATOM 1003 CD GLU A 63 2.537 12.290 10.869 1.00 10.00 C ATOM 1004 OE1 GLU A 63 2.164 11.220 10.336 1.00 10.00 O ATOM 1005 OE2 GLU A 63 2.567 12.520 12.096 1.00 10.00 O ATOM 0 H GLU A 63 1.416 13.698 6.292 1.00 10.00 H new ATOM 0 HA GLU A 63 2.163 15.452 8.349 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.270 13.195 8.688 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.724 12.497 8.004 1.00 10.00 H new ATOM 0 HG2 GLU A 63 4.096 13.330 9.818 1.00 10.00 H new ATOM 0 HG3 GLU A 63 2.814 14.370 10.405 1.00 10.00 H new ATOM 1012 N TYR A 64 4.720 14.096 6.716 1.00 10.00 N ATOM 1013 CA TYR A 64 6.133 14.220 6.386 1.00 10.00 C ATOM 1014 C TYR A 64 6.513 15.656 6.000 1.00 10.00 C ATOM 1015 O TYR A 64 7.441 16.230 6.566 1.00 10.00 O ATOM 1016 CB TYR A 64 6.451 13.206 5.289 1.00 10.00 C ATOM 1017 CG TYR A 64 7.838 13.301 4.710 1.00 10.00 C ATOM 1018 CD1 TYR A 64 8.952 12.891 5.462 1.00 10.00 C ATOM 1019 CD2 TYR A 64 7.993 13.684 3.368 1.00 10.00 C ATOM 1020 CE1 TYR A 64 10.220 12.836 4.860 1.00 10.00 C ATOM 1021 CE2 TYR A 64 9.257 13.629 2.771 1.00 10.00 C ATOM 1022 CZ TYR A 64 10.373 13.213 3.514 1.00 10.00 C ATOM 1023 OH TYR A 64 11.589 13.133 2.906 1.00 10.00 O ATOM 0 H TYR A 64 4.271 13.302 6.261 1.00 10.00 H new ATOM 0 HA TYR A 64 6.741 14.000 7.264 1.00 10.00 H new ATOM 0 HB2 TYR A 64 6.311 12.203 5.692 1.00 10.00 H new ATOM 0 HB3 TYR A 64 5.729 13.329 4.482 1.00 10.00 H new ATOM 0 HD1 TYR A 64 8.834 12.619 6.500 1.00 10.00 H new ATOM 0 HD2 TYR A 64 7.139 14.020 2.798 1.00 10.00 H new ATOM 0 HE1 TYR A 64 11.076 12.505 5.430 1.00 10.00 H new ATOM 0 HE2 TYR A 64 9.375 13.908 1.734 1.00 10.00 H new ATOM 0 HH TYR A 64 12.246 12.769 3.535 1.00 10.00 H new ATOM 1033 N TYR A 65 5.789 16.260 5.058 1.00 10.00 N ATOM 1034 CA TYR A 65 6.004 17.659 4.716 1.00 10.00 C ATOM 1035 C TYR A 65 5.789 18.559 5.940 1.00 10.00 C ATOM 1036 O TYR A 65 6.669 19.350 6.290 1.00 10.00 O ATOM 1037 CB TYR A 65 5.116 18.055 3.529 1.00 10.00 C ATOM 1038 CG TYR A 65 5.822 17.937 2.191 1.00 10.00 C ATOM 1039 CD1 TYR A 65 6.589 19.019 1.725 1.00 10.00 C ATOM 1040 CD2 TYR A 65 5.803 16.733 1.463 1.00 10.00 C ATOM 1041 CE1 TYR A 65 7.277 18.925 0.504 1.00 10.00 C ATOM 1042 CE2 TYR A 65 6.526 16.624 0.262 1.00 10.00 C ATOM 1043 CZ TYR A 65 7.261 17.723 -0.218 1.00 10.00 C ATOM 1044 OH TYR A 65 8.012 17.612 -1.349 1.00 10.00 O ATOM 0 H TYR A 65 5.052 15.802 4.522 1.00 10.00 H new ATOM 0 HA TYR A 65 7.040 17.798 4.406 1.00 10.00 H new ATOM 0 HB2 TYR A 65 4.228 17.423 3.521 1.00 10.00 H new ATOM 0 HB3 TYR A 65 4.776 19.082 3.664 1.00 10.00 H new ATOM 0 HD1 TYR A 65 6.650 19.926 2.308 1.00 10.00 H new ATOM 0 HD2 TYR A 65 5.232 15.892 1.827 1.00 10.00 H new ATOM 0 HE1 TYR A 65 7.818 19.778 0.122 1.00 10.00 H new ATOM 0 HE2 TYR A 65 6.517 15.697 -0.292 1.00 10.00 H new ATOM 0 HH TYR A 65 8.545 16.791 -1.309 1.00 10.00 H new ATOM 1054 N HIS A 66 4.629 18.438 6.595 1.00 10.00 N ATOM 1055 CA HIS A 66 4.279 19.260 7.747 1.00 10.00 C ATOM 1056 C HIS A 66 5.366 19.240 8.827 1.00 10.00 C ATOM 1057 O HIS A 66 5.934 20.284 9.144 1.00 10.00 O ATOM 1058 CB HIS A 66 2.916 18.850 8.319 1.00 10.00 C ATOM 1059 CG HIS A 66 2.600 19.593 9.590 1.00 10.00 C ATOM 1060 ND1 HIS A 66 2.248 20.941 9.653 1.00 10.00 N ATOM 1061 CD2 HIS A 66 2.899 19.146 10.846 1.00 10.00 C ATOM 1062 CE1 HIS A 66 2.327 21.272 10.951 1.00 10.00 C ATOM 1063 NE2 HIS A 66 2.727 20.220 11.686 1.00 10.00 N ATOM 0 H HIS A 66 3.908 17.764 6.336 1.00 10.00 H new ATOM 0 HA HIS A 66 4.205 20.289 7.396 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.138 19.044 7.581 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.910 17.777 8.513 1.00 10.00 H new ATOM 0 HD2 HIS A 66 3.208 18.149 11.123 1.00 10.00 H new ATOM 0 HE1 HIS A 66 2.100 22.250 11.350 1.00 10.00 H new ATOM 0 HE2 HIS A 66 2.877 20.219 12.695 1.00 10.00 H new ATOM 1071 N LEU A 67 5.645 18.078 9.427 1.00 10.00 N ATOM 1072 CA LEU A 67 6.572 18.024 10.550 1.00 10.00 C ATOM 1073 C LEU A 67 8.008 18.363 10.131 1.00 10.00 C ATOM 1074 O LEU A 67 8.755 18.877 10.959 1.00 10.00 O ATOM 1075 CB LEU A 67 6.424 16.774 11.449 1.00 10.00 C ATOM 1076 CG LEU A 67 6.242 15.412 10.765 1.00 10.00 C ATOM 1077 CD1 LEU A 67 7.332 15.169 9.731 1.00 10.00 C ATOM 1078 CD2 LEU A 67 6.259 14.257 11.772 1.00 10.00 C ATOM 0 H LEU A 67 5.247 17.179 9.156 1.00 10.00 H new ATOM 0 HA LEU A 67 6.274 18.826 11.225 1.00 10.00 H new ATOM 0 HB2 LEU A 67 7.308 16.713 12.084 1.00 10.00 H new ATOM 0 HB3 LEU A 67 5.569 16.935 12.106 1.00 10.00 H new ATOM 0 HG LEU A 67 5.268 15.442 10.277 1.00 10.00 H new ATOM 0 HD11 LEU A 67 7.179 14.197 9.262 1.00 10.00 H new ATOM 0 HD12 LEU A 67 7.293 15.949 8.971 1.00 10.00 H new ATOM 0 HD13 LEU A 67 8.307 15.187 10.219 1.00 10.00 H new ATOM 0 HD21 LEU A 67 6.127 13.312 11.244 1.00 10.00 H new ATOM 0 HD22 LEU A 67 7.213 14.248 12.299 1.00 10.00 H new ATOM 0 HD23 LEU A 67 5.449 14.388 12.490 1.00 10.00 H new ATOM 1090 N LEU A 68 8.401 18.168 8.864 1.00 10.00 N ATOM 1091 CA LEU A 68 9.687 18.681 8.397 1.00 10.00 C ATOM 1092 C LEU A 68 9.691 20.209 8.409 1.00 10.00 C ATOM 1093 O LEU A 68 10.583 20.821 8.995 1.00 10.00 O ATOM 1094 CB LEU A 68 10.042 18.165 6.994 1.00 10.00 C ATOM 1095 CG LEU A 68 10.589 16.731 7.002 1.00 10.00 C ATOM 1096 CD1 LEU A 68 10.685 16.210 5.566 1.00 10.00 C ATOM 1097 CD2 LEU A 68 12.003 16.655 7.592 1.00 10.00 C ATOM 0 H LEU A 68 7.856 17.669 8.161 1.00 10.00 H new ATOM 0 HA LEU A 68 10.447 18.313 9.086 1.00 10.00 H new ATOM 0 HB2 LEU A 68 9.154 18.206 6.363 1.00 10.00 H new ATOM 0 HB3 LEU A 68 10.782 18.828 6.546 1.00 10.00 H new ATOM 0 HG LEU A 68 9.905 16.139 7.610 1.00 10.00 H new ATOM 0 HD11 LEU A 68 11.074 15.192 5.574 1.00 10.00 H new ATOM 0 HD12 LEU A 68 9.695 16.217 5.109 1.00 10.00 H new ATOM 0 HD13 LEU A 68 11.355 16.850 4.991 1.00 10.00 H new ATOM 0 HD21 LEU A 68 12.348 15.621 7.577 1.00 10.00 H new ATOM 0 HD22 LEU A 68 12.678 17.272 6.999 1.00 10.00 H new ATOM 0 HD23 LEU A 68 11.988 17.018 8.620 1.00 10.00 H new ATOM 1109 N ALA A 69 8.702 20.838 7.768 1.00 10.00 N ATOM 1110 CA ALA A 69 8.599 22.293 7.770 1.00 10.00 C ATOM 1111 C ALA A 69 8.577 22.821 9.209 1.00 10.00 C ATOM 1112 O ALA A 69 9.297 23.761 9.544 1.00 10.00 O ATOM 1113 CB ALA A 69 7.361 22.721 6.981 1.00 10.00 C ATOM 0 H ALA A 69 7.967 20.362 7.245 1.00 10.00 H new ATOM 0 HA ALA A 69 9.472 22.726 7.282 1.00 10.00 H new ATOM 0 HB1 ALA A 69 7.286 23.808 6.984 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.443 22.365 5.954 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.470 22.295 7.442 1.00 10.00 H new ATOM 1119 N GLU A 70 7.783 22.190 10.077 1.00 10.00 N ATOM 1120 CA GLU A 70 7.717 22.543 11.485 1.00 10.00 C ATOM 1121 C GLU A 70 9.081 22.361 12.160 1.00 10.00 C ATOM 1122 O GLU A 70 9.484 23.206 12.951 1.00 10.00 O ATOM 1123 CB GLU A 70 6.613 21.732 12.176 1.00 10.00 C ATOM 1124 CG GLU A 70 6.335 22.264 13.589 1.00 10.00 C ATOM 1125 CD GLU A 70 5.189 21.548 14.304 1.00 10.00 C ATOM 1126 OE1 GLU A 70 4.561 20.667 13.676 1.00 10.00 O ATOM 1127 OE2 GLU A 70 4.956 21.906 15.478 1.00 10.00 O ATOM 0 H GLU A 70 7.169 21.419 9.816 1.00 10.00 H new ATOM 0 HA GLU A 70 7.461 23.598 11.578 1.00 10.00 H new ATOM 0 HB2 GLU A 70 5.700 21.776 11.582 1.00 10.00 H new ATOM 0 HB3 GLU A 70 6.908 20.684 12.231 1.00 10.00 H new ATOM 0 HG2 GLU A 70 7.241 22.168 14.188 1.00 10.00 H new ATOM 0 HG3 GLU A 70 6.104 23.328 13.528 1.00 10.00 H new ATOM 1134 N LYS A 71 9.803 21.275 11.871 1.00 10.00 N ATOM 1135 CA LYS A 71 11.137 21.048 12.410 1.00 10.00 C ATOM 1136 C LYS A 71 12.073 22.189 12.008 1.00 10.00 C ATOM 1137 O LYS A 71 12.703 22.790 12.873 1.00 10.00 O ATOM 1138 CB LYS A 71 11.635 19.667 11.969 1.00 10.00 C ATOM 1139 CG LYS A 71 13.049 19.283 12.419 1.00 10.00 C ATOM 1140 CD LYS A 71 13.214 19.375 13.936 1.00 10.00 C ATOM 1141 CE LYS A 71 14.458 18.619 14.410 1.00 10.00 C ATOM 1142 NZ LYS A 71 14.725 18.862 15.838 1.00 10.00 N ATOM 0 H LYS A 71 9.475 20.531 11.256 1.00 10.00 H new ATOM 0 HA LYS A 71 11.112 21.047 13.500 1.00 10.00 H new ATOM 0 HB2 LYS A 71 10.940 18.916 12.345 1.00 10.00 H new ATOM 0 HB3 LYS A 71 11.597 19.620 10.881 1.00 10.00 H new ATOM 0 HG2 LYS A 71 13.270 18.267 12.092 1.00 10.00 H new ATOM 0 HG3 LYS A 71 13.773 19.938 11.935 1.00 10.00 H new ATOM 0 HD2 LYS A 71 13.287 20.421 14.233 1.00 10.00 H new ATOM 0 HD3 LYS A 71 12.330 18.966 14.425 1.00 10.00 H new ATOM 0 HE2 LYS A 71 14.323 17.551 14.241 1.00 10.00 H new ATOM 0 HE3 LYS A 71 15.320 18.929 13.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 15.574 18.335 16.127 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 14.878 19.879 15.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 13.912 18.544 16.402 1.00 10.00 H new ATOM 1156 N ILE A 72 12.150 22.510 10.713 1.00 10.00 N ATOM 1157 CA ILE A 72 12.925 23.654 10.231 1.00 10.00 C ATOM 1158 C ILE A 72 12.550 24.905 11.026 1.00 10.00 C ATOM 1159 O ILE A 72 13.413 25.592 11.577 1.00 10.00 O ATOM 1160 CB ILE A 72 12.660 23.887 8.733 1.00 10.00 C ATOM 1161 CG1 ILE A 72 13.213 22.742 7.878 1.00 10.00 C ATOM 1162 CG2 ILE A 72 13.237 25.234 8.278 1.00 10.00 C ATOM 1163 CD1 ILE A 72 12.751 22.868 6.426 1.00 10.00 C ATOM 0 H ILE A 72 11.680 21.987 9.974 1.00 10.00 H new ATOM 0 HA ILE A 72 13.985 23.444 10.370 1.00 10.00 H new ATOM 0 HB ILE A 72 11.579 23.912 8.592 1.00 10.00 H new ATOM 0 HG12 ILE A 72 14.302 22.747 7.918 1.00 10.00 H new ATOM 0 HG13 ILE A 72 12.883 21.787 8.286 1.00 10.00 H new ATOM 0 HG21 ILE A 72 13.037 25.375 7.216 1.00 10.00 H new ATOM 0 HG22 ILE A 72 12.771 26.040 8.845 1.00 10.00 H new ATOM 0 HG23 ILE A 72 14.313 25.245 8.449 1.00 10.00 H new ATOM 0 HD11 ILE A 72 13.158 22.043 5.842 1.00 10.00 H new ATOM 0 HD12 ILE A 72 11.662 22.838 6.387 1.00 10.00 H new ATOM 0 HD13 ILE A 72 13.103 23.813 6.013 1.00 10.00 H new ATOM 1175 N TYR A 73 11.251 25.209 11.043 1.00 10.00 N ATOM 1176 CA TYR A 73 10.698 26.370 11.711 1.00 10.00 C ATOM 1177 C TYR A 73 11.199 26.432 13.149 1.00 10.00 C ATOM 1178 O TYR A 73 11.750 27.440 13.577 1.00 10.00 O ATOM 1179 CB TYR A 73 9.177 26.295 11.635 1.00 10.00 C ATOM 1180 CG TYR A 73 8.452 27.547 12.040 1.00 10.00 C ATOM 1181 CD1 TYR A 73 8.088 27.759 13.383 1.00 10.00 C ATOM 1182 CD2 TYR A 73 7.974 28.403 11.035 1.00 10.00 C ATOM 1183 CE1 TYR A 73 7.223 28.815 13.714 1.00 10.00 C ATOM 1184 CE2 TYR A 73 7.055 29.402 11.362 1.00 10.00 C ATOM 1185 CZ TYR A 73 6.676 29.614 12.698 1.00 10.00 C ATOM 1186 OH TYR A 73 5.791 30.599 13.015 1.00 10.00 O ATOM 0 H TYR A 73 10.545 24.637 10.580 1.00 10.00 H new ATOM 0 HA TYR A 73 11.023 27.287 11.221 1.00 10.00 H new ATOM 0 HB2 TYR A 73 8.893 26.044 10.613 1.00 10.00 H new ATOM 0 HB3 TYR A 73 8.838 25.477 12.270 1.00 10.00 H new ATOM 0 HD1 TYR A 73 8.473 27.111 14.157 1.00 10.00 H new ATOM 0 HD2 TYR A 73 8.315 28.290 10.016 1.00 10.00 H new ATOM 0 HE1 TYR A 73 6.979 29.012 14.748 1.00 10.00 H new ATOM 0 HE2 TYR A 73 6.632 30.017 10.581 1.00 10.00 H new ATOM 0 HH TYR A 73 5.508 31.060 12.198 1.00 10.00 H new ATOM 1196 N LYS A 74 11.025 25.334 13.881 1.00 10.00 N ATOM 1197 CA LYS A 74 11.487 25.205 15.253 1.00 10.00 C ATOM 1198 C LYS A 74 12.992 25.442 15.350 1.00 10.00 C ATOM 1199 O LYS A 74 13.398 26.243 16.178 1.00 10.00 O ATOM 1200 CB LYS A 74 11.114 23.837 15.841 1.00 10.00 C ATOM 1201 CG LYS A 74 9.598 23.647 16.010 1.00 10.00 C ATOM 1202 CD LYS A 74 9.088 23.931 17.432 1.00 10.00 C ATOM 1203 CE LYS A 74 9.224 25.405 17.827 1.00 10.00 C ATOM 1204 NZ LYS A 74 8.571 25.681 19.119 1.00 10.00 N ATOM 0 H LYS A 74 10.553 24.501 13.530 1.00 10.00 H new ATOM 0 HA LYS A 74 10.984 25.972 15.842 1.00 10.00 H new ATOM 0 HB2 LYS A 74 11.503 23.051 15.193 1.00 10.00 H new ATOM 0 HB3 LYS A 74 11.599 23.720 16.810 1.00 10.00 H new ATOM 0 HG2 LYS A 74 9.080 24.303 15.311 1.00 10.00 H new ATOM 0 HG3 LYS A 74 9.338 22.624 15.739 1.00 10.00 H new ATOM 0 HD2 LYS A 74 8.041 23.635 17.504 1.00 10.00 H new ATOM 0 HD3 LYS A 74 9.642 23.317 18.142 1.00 10.00 H new ATOM 0 HE2 LYS A 74 10.279 25.670 17.888 1.00 10.00 H new ATOM 0 HE3 LYS A 74 8.781 26.032 17.053 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 8.682 26.688 19.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 7.559 25.450 19.053 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 9.010 25.100 19.861 1.00 10.00 H new ATOM 1218 N ILE A 75 13.832 24.783 14.545 1.00 10.00 N ATOM 1219 CA ILE A 75 15.274 25.042 14.564 1.00 10.00 C ATOM 1220 C ILE A 75 15.516 26.546 14.445 1.00 10.00 C ATOM 1221 O ILE A 75 16.115 27.127 15.345 1.00 10.00 O ATOM 1222 CB ILE A 75 16.001 24.238 13.467 1.00 10.00 C ATOM 1223 CG1 ILE A 75 15.879 22.728 13.750 1.00 10.00 C ATOM 1224 CG2 ILE A 75 17.488 24.626 13.403 1.00 10.00 C ATOM 1225 CD1 ILE A 75 16.335 21.877 12.560 1.00 10.00 C ATOM 0 H ILE A 75 13.540 24.071 13.876 1.00 10.00 H new ATOM 0 HA ILE A 75 15.693 24.704 15.512 1.00 10.00 H new ATOM 0 HB ILE A 75 15.534 24.469 12.510 1.00 10.00 H new ATOM 0 HG12 ILE A 75 16.477 22.475 14.626 1.00 10.00 H new ATOM 0 HG13 ILE A 75 14.843 22.488 13.991 1.00 10.00 H new ATOM 0 HG21 ILE A 75 17.982 24.047 12.623 1.00 10.00 H new ATOM 0 HG22 ILE A 75 17.577 25.689 13.178 1.00 10.00 H new ATOM 0 HG23 ILE A 75 17.960 24.418 14.363 1.00 10.00 H new ATOM 0 HD11 ILE A 75 16.231 20.820 12.807 1.00 10.00 H new ATOM 0 HD12 ILE A 75 15.720 22.109 11.690 1.00 10.00 H new ATOM 0 HD13 ILE A 75 17.379 22.096 12.335 1.00 10.00 H new ATOM 1237 N GLN A 76 15.029 27.183 13.378 1.00 10.00 N ATOM 1238 CA GLN A 76 15.204 28.620 13.196 1.00 10.00 C ATOM 1239 C GLN A 76 14.755 29.398 14.445 1.00 10.00 C ATOM 1240 O GLN A 76 15.546 30.122 15.050 1.00 10.00 O ATOM 1241 CB GLN A 76 14.452 29.072 11.933 1.00 10.00 C ATOM 1242 CG GLN A 76 15.227 28.759 10.637 1.00 10.00 C ATOM 1243 CD GLN A 76 16.484 29.615 10.495 1.00 10.00 C ATOM 1244 OE1 GLN A 76 16.612 30.638 11.163 1.00 10.00 O ATOM 1245 NE2 GLN A 76 17.411 29.245 9.617 1.00 10.00 N ATOM 0 H GLN A 76 14.511 26.724 12.629 1.00 10.00 H new ATOM 0 HA GLN A 76 16.263 28.838 13.060 1.00 10.00 H new ATOM 0 HB2 GLN A 76 13.480 28.580 11.898 1.00 10.00 H new ATOM 0 HB3 GLN A 76 14.265 30.144 11.990 1.00 10.00 H new ATOM 0 HG2 GLN A 76 15.504 27.705 10.627 1.00 10.00 H new ATOM 0 HG3 GLN A 76 14.577 28.926 9.778 1.00 10.00 H new ATOM 0 HE21 GLN A 76 17.286 28.392 9.072 1.00 10.00 H new ATOM 0 HE22 GLN A 76 18.248 29.814 9.488 1.00 10.00 H new ATOM 1254 N LYS A 77 13.490 29.241 14.839 1.00 10.00 N ATOM 1255 CA LYS A 77 12.888 29.959 15.953 1.00 10.00 C ATOM 1256 C LYS A 77 13.647 29.748 17.262 1.00 10.00 C ATOM 1257 O LYS A 77 14.053 30.711 17.903 1.00 10.00 O ATOM 1258 CB LYS A 77 11.411 29.560 16.081 1.00 10.00 C ATOM 1259 CG LYS A 77 10.511 30.117 14.966 1.00 10.00 C ATOM 1260 CD LYS A 77 10.569 31.647 14.828 1.00 10.00 C ATOM 1261 CE LYS A 77 11.479 32.077 13.666 1.00 10.00 C ATOM 1262 NZ LYS A 77 11.740 33.526 13.688 1.00 10.00 N ATOM 0 H LYS A 77 12.846 28.597 14.380 1.00 10.00 H new ATOM 0 HA LYS A 77 12.950 31.027 15.743 1.00 10.00 H new ATOM 0 HB2 LYS A 77 11.338 28.472 16.082 1.00 10.00 H new ATOM 0 HB3 LYS A 77 11.035 29.906 17.044 1.00 10.00 H new ATOM 0 HG2 LYS A 77 10.801 29.665 14.018 1.00 10.00 H new ATOM 0 HG3 LYS A 77 9.481 29.818 15.160 1.00 10.00 H new ATOM 0 HD2 LYS A 77 9.564 32.037 14.667 1.00 10.00 H new ATOM 0 HD3 LYS A 77 10.935 32.083 15.758 1.00 10.00 H new ATOM 0 HE2 LYS A 77 12.423 31.536 13.724 1.00 10.00 H new ATOM 0 HE3 LYS A 77 11.013 31.805 12.719 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 11.971 33.852 12.728 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 10.894 34.026 14.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 12.539 33.725 14.323 1.00 10.00 H new ATOM 1276 N GLU A 78 13.828 28.497 17.670 1.00 10.00 N ATOM 1277 CA GLU A 78 14.510 28.131 18.901 1.00 10.00 C ATOM 1278 C GLU A 78 15.948 28.654 18.895 1.00 10.00 C ATOM 1279 O GLU A 78 16.397 29.269 19.861 1.00 10.00 O ATOM 1280 CB GLU A 78 14.484 26.605 19.082 1.00 10.00 C ATOM 1281 CG GLU A 78 13.062 26.051 19.257 1.00 10.00 C ATOM 1282 CD GLU A 78 12.370 26.570 20.511 1.00 10.00 C ATOM 1283 OE1 GLU A 78 12.717 26.076 21.604 1.00 10.00 O ATOM 1284 OE2 GLU A 78 11.492 27.447 20.349 1.00 10.00 O ATOM 0 H GLU A 78 13.496 27.692 17.140 1.00 10.00 H new ATOM 0 HA GLU A 78 13.989 28.589 19.742 1.00 10.00 H new ATOM 0 HB2 GLU A 78 14.949 26.133 18.217 1.00 10.00 H new ATOM 0 HB3 GLU A 78 15.083 26.337 19.952 1.00 10.00 H new ATOM 0 HG2 GLU A 78 12.465 26.315 18.384 1.00 10.00 H new ATOM 0 HG3 GLU A 78 13.105 24.963 19.296 1.00 10.00 H new ATOM 1490 N GLU B 89 7.152 37.730 10.146 1.00 10.00 N ATOM 1491 CA GLU B 89 6.080 37.072 9.403 1.00 10.00 C ATOM 1492 C GLU B 89 6.514 36.569 8.020 1.00 10.00 C ATOM 1493 O GLU B 89 6.307 35.405 7.677 1.00 10.00 O ATOM 1494 CB GLU B 89 4.844 37.987 9.339 1.00 10.00 C ATOM 1495 CG GLU B 89 4.999 39.284 8.522 1.00 10.00 C ATOM 1496 CD GLU B 89 6.195 40.128 8.949 1.00 10.00 C ATOM 1497 OE1 GLU B 89 6.156 40.646 10.085 1.00 10.00 O ATOM 1498 OE2 GLU B 89 7.170 40.156 8.166 1.00 10.00 O ATOM 0 HA GLU B 89 5.811 36.169 9.950 1.00 10.00 H new ATOM 0 HB2 GLU B 89 4.016 37.415 8.920 1.00 10.00 H new ATOM 0 HB3 GLU B 89 4.563 38.255 10.357 1.00 10.00 H new ATOM 0 HG2 GLU B 89 5.101 39.030 7.467 1.00 10.00 H new ATOM 0 HG3 GLU B 89 4.090 39.878 8.621 1.00 10.00 H new ATOM 1505 N LYS B 90 7.137 37.447 7.233 1.00 10.00 N ATOM 1506 CA LYS B 90 7.586 37.113 5.891 1.00 10.00 C ATOM 1507 C LYS B 90 8.635 36.004 5.934 1.00 10.00 C ATOM 1508 O LYS B 90 8.587 35.074 5.138 1.00 10.00 O ATOM 1509 CB LYS B 90 8.071 38.371 5.156 1.00 10.00 C ATOM 1510 CG LYS B 90 9.338 39.000 5.752 1.00 10.00 C ATOM 1511 CD LYS B 90 9.640 40.321 5.038 1.00 10.00 C ATOM 1512 CE LYS B 90 10.916 40.953 5.604 1.00 10.00 C ATOM 1513 NZ LYS B 90 11.218 42.232 4.938 1.00 10.00 N ATOM 0 H LYS B 90 7.342 38.407 7.512 1.00 10.00 H new ATOM 0 HA LYS B 90 6.745 36.722 5.318 1.00 10.00 H new ATOM 0 HB2 LYS B 90 8.261 38.118 4.113 1.00 10.00 H new ATOM 0 HB3 LYS B 90 7.273 39.113 5.164 1.00 10.00 H new ATOM 0 HG2 LYS B 90 9.202 39.175 6.819 1.00 10.00 H new ATOM 0 HG3 LYS B 90 10.180 38.316 5.645 1.00 10.00 H new ATOM 0 HD2 LYS B 90 9.757 40.146 3.969 1.00 10.00 H new ATOM 0 HD3 LYS B 90 8.802 41.007 5.159 1.00 10.00 H new ATOM 0 HE2 LYS B 90 10.800 41.117 6.675 1.00 10.00 H new ATOM 0 HE3 LYS B 90 11.753 40.267 5.475 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 12.087 42.637 5.341 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 11.352 42.070 3.919 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 10.429 42.893 5.082 1.00 10.00 H new ATOM 1527 N ARG B 91 9.557 36.077 6.897 1.00 10.00 N ATOM 1528 CA ARG B 91 10.587 35.066 7.079 1.00 10.00 C ATOM 1529 C ARG B 91 9.919 33.748 7.447 1.00 10.00 C ATOM 1530 O ARG B 91 10.252 32.715 6.877 1.00 10.00 O ATOM 1531 CB ARG B 91 11.624 35.540 8.109 1.00 10.00 C ATOM 1532 CG ARG B 91 12.651 34.475 8.528 1.00 10.00 C ATOM 1533 CD ARG B 91 12.220 33.656 9.760 1.00 10.00 C ATOM 1534 NE ARG B 91 13.388 33.017 10.393 1.00 10.00 N ATOM 1535 CZ ARG B 91 14.215 33.626 11.260 1.00 10.00 C ATOM 1536 NH1 ARG B 91 14.007 34.898 11.620 1.00 10.00 N ATOM 1537 NH2 ARG B 91 15.265 32.981 11.781 1.00 10.00 N ATOM 0 H ARG B 91 9.606 36.842 7.570 1.00 10.00 H new ATOM 0 HA ARG B 91 11.141 34.904 6.155 1.00 10.00 H new ATOM 0 HB2 ARG B 91 12.158 36.397 7.698 1.00 10.00 H new ATOM 0 HB3 ARG B 91 11.099 35.888 8.999 1.00 10.00 H new ATOM 0 HG2 ARG B 91 12.821 33.797 7.692 1.00 10.00 H new ATOM 0 HG3 ARG B 91 13.602 34.963 8.741 1.00 10.00 H new ATOM 0 HD2 ARG B 91 11.720 34.306 10.479 1.00 10.00 H new ATOM 0 HD3 ARG B 91 11.499 32.895 9.463 1.00 10.00 H new ATOM 0 HE ARG B 91 13.582 32.044 10.156 1.00 10.00 H new ATOM 0 HH11 ARG B 91 13.215 35.414 11.236 1.00 10.00 H new ATOM 0 HH12 ARG B 91 14.640 35.352 12.279 1.00 10.00 H new ATOM 0 HH21 ARG B 91 15.448 32.012 11.522 1.00 10.00 H new ATOM 0 HH22 ARG B 91 15.882 33.459 12.438 1.00 10.00 H new ATOM 1551 N ILE B 92 8.956 33.786 8.370 1.00 10.00 N ATOM 1552 CA ILE B 92 8.166 32.622 8.750 1.00 10.00 C ATOM 1553 C ILE B 92 7.555 31.978 7.500 1.00 10.00 C ATOM 1554 O ILE B 92 7.718 30.778 7.274 1.00 10.00 O ATOM 1555 CB ILE B 92 7.129 33.023 9.829 1.00 10.00 C ATOM 1556 CG1 ILE B 92 7.667 32.728 11.242 1.00 10.00 C ATOM 1557 CG2 ILE B 92 5.734 32.407 9.625 1.00 10.00 C ATOM 1558 CD1 ILE B 92 8.718 33.747 11.678 1.00 10.00 C ATOM 0 H ILE B 92 8.703 34.634 8.877 1.00 10.00 H new ATOM 0 HA ILE B 92 8.796 31.858 9.205 1.00 10.00 H new ATOM 0 HB ILE B 92 6.988 34.098 9.718 1.00 10.00 H new ATOM 0 HG12 ILE B 92 6.841 32.733 11.953 1.00 10.00 H new ATOM 0 HG13 ILE B 92 8.100 31.728 11.264 1.00 10.00 H new ATOM 0 HG21 ILE B 92 5.070 32.738 10.423 1.00 10.00 H new ATOM 0 HG22 ILE B 92 5.333 32.726 8.663 1.00 10.00 H new ATOM 0 HG23 ILE B 92 5.810 31.320 9.644 1.00 10.00 H new ATOM 0 HD11 ILE B 92 9.070 33.501 12.680 1.00 10.00 H new ATOM 0 HD12 ILE B 92 9.557 33.724 10.983 1.00 10.00 H new ATOM 0 HD13 ILE B 92 8.278 34.744 11.683 1.00 10.00 H new ATOM 1570 N LYS B 93 6.851 32.766 6.686 1.00 10.00 N ATOM 1571 CA LYS B 93 6.180 32.243 5.507 1.00 10.00 C ATOM 1572 C LYS B 93 7.182 31.708 4.490 1.00 10.00 C ATOM 1573 O LYS B 93 7.037 30.574 4.052 1.00 10.00 O ATOM 1574 CB LYS B 93 5.245 33.296 4.910 1.00 10.00 C ATOM 1575 CG LYS B 93 4.038 33.514 5.830 1.00 10.00 C ATOM 1576 CD LYS B 93 3.057 32.326 5.831 1.00 10.00 C ATOM 1577 CE LYS B 93 3.031 31.606 7.187 1.00 10.00 C ATOM 1578 NZ LYS B 93 2.122 30.445 7.169 1.00 10.00 N ATOM 0 H LYS B 93 6.734 33.769 6.827 1.00 10.00 H new ATOM 0 HA LYS B 93 5.563 31.396 5.807 1.00 10.00 H new ATOM 0 HB2 LYS B 93 5.782 34.235 4.774 1.00 10.00 H new ATOM 0 HB3 LYS B 93 4.907 32.976 3.924 1.00 10.00 H new ATOM 0 HG2 LYS B 93 4.390 33.687 6.847 1.00 10.00 H new ATOM 0 HG3 LYS B 93 3.509 34.414 5.518 1.00 10.00 H new ATOM 0 HD2 LYS B 93 2.055 32.682 5.590 1.00 10.00 H new ATOM 0 HD3 LYS B 93 3.341 31.620 5.051 1.00 10.00 H new ATOM 0 HE2 LYS B 93 4.038 31.276 7.444 1.00 10.00 H new ATOM 0 HE3 LYS B 93 2.716 32.303 7.964 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 1.730 30.296 8.121 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 1.346 30.622 6.499 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 2.647 29.597 6.874 1.00 10.00 H new ATOM 1592 N GLU B 94 8.199 32.490 4.124 1.00 10.00 N ATOM 1593 CA GLU B 94 9.249 32.054 3.212 1.00 10.00 C ATOM 1594 C GLU B 94 9.857 30.732 3.693 1.00 10.00 C ATOM 1595 O GLU B 94 9.937 29.771 2.934 1.00 10.00 O ATOM 1596 CB GLU B 94 10.313 33.154 3.093 1.00 10.00 C ATOM 1597 CG GLU B 94 9.791 34.358 2.295 1.00 10.00 C ATOM 1598 CD GLU B 94 10.740 35.548 2.399 1.00 10.00 C ATOM 1599 OE1 GLU B 94 11.792 35.491 1.726 1.00 10.00 O ATOM 1600 OE2 GLU B 94 10.406 36.488 3.153 1.00 10.00 O ATOM 0 H GLU B 94 8.315 33.448 4.455 1.00 10.00 H new ATOM 0 HA GLU B 94 8.825 31.878 2.223 1.00 10.00 H new ATOM 0 HB2 GLU B 94 10.615 33.479 4.089 1.00 10.00 H new ATOM 0 HB3 GLU B 94 11.201 32.751 2.607 1.00 10.00 H new ATOM 0 HG2 GLU B 94 9.669 34.078 1.249 1.00 10.00 H new ATOM 0 HG3 GLU B 94 8.806 34.643 2.665 1.00 10.00 H new ATOM 1607 N LEU B 95 10.262 30.682 4.963 1.00 10.00 N ATOM 1608 CA LEU B 95 10.853 29.509 5.589 1.00 10.00 C ATOM 1609 C LEU B 95 9.924 28.301 5.467 1.00 10.00 C ATOM 1610 O LEU B 95 10.342 27.236 5.013 1.00 10.00 O ATOM 1611 CB LEU B 95 11.155 29.844 7.056 1.00 10.00 C ATOM 1612 CG LEU B 95 11.850 28.728 7.846 1.00 10.00 C ATOM 1613 CD1 LEU B 95 13.264 28.483 7.299 1.00 10.00 C ATOM 1614 CD2 LEU B 95 11.922 29.169 9.308 1.00 10.00 C ATOM 0 H LEU B 95 10.184 31.478 5.596 1.00 10.00 H new ATOM 0 HA LEU B 95 11.781 29.243 5.083 1.00 10.00 H new ATOM 0 HB2 LEU B 95 11.781 30.735 7.088 1.00 10.00 H new ATOM 0 HB3 LEU B 95 10.219 30.094 7.556 1.00 10.00 H new ATOM 0 HG LEU B 95 11.291 27.797 7.754 1.00 10.00 H new ATOM 0 HD11 LEU B 95 13.743 27.688 7.871 1.00 10.00 H new ATOM 0 HD12 LEU B 95 13.203 28.190 6.251 1.00 10.00 H new ATOM 0 HD13 LEU B 95 13.851 29.397 7.386 1.00 10.00 H new ATOM 0 HD21 LEU B 95 12.412 28.395 9.898 1.00 10.00 H new ATOM 0 HD22 LEU B 95 12.491 30.096 9.381 1.00 10.00 H new ATOM 0 HD23 LEU B 95 10.914 29.332 9.689 1.00 10.00 H new ATOM 1626 N GLU B 96 8.662 28.459 5.877 1.00 10.00 N ATOM 1627 CA GLU B 96 7.694 27.372 5.835 1.00 10.00 C ATOM 1628 C GLU B 96 7.488 26.907 4.382 1.00 10.00 C ATOM 1629 O GLU B 96 7.541 25.716 4.071 1.00 10.00 O ATOM 1630 CB GLU B 96 6.407 27.869 6.512 1.00 10.00 C ATOM 1631 CG GLU B 96 5.269 26.842 6.514 1.00 10.00 C ATOM 1632 CD GLU B 96 4.035 27.416 7.202 1.00 10.00 C ATOM 1633 OE1 GLU B 96 4.083 27.543 8.445 1.00 10.00 O ATOM 1634 OE2 GLU B 96 3.076 27.748 6.471 1.00 10.00 O ATOM 0 H GLU B 96 8.291 29.336 6.243 1.00 10.00 H new ATOM 0 HA GLU B 96 8.044 26.494 6.378 1.00 10.00 H new ATOM 0 HB2 GLU B 96 6.634 28.147 7.541 1.00 10.00 H new ATOM 0 HB3 GLU B 96 6.067 28.772 6.005 1.00 10.00 H new ATOM 0 HG2 GLU B 96 5.024 26.560 5.490 1.00 10.00 H new ATOM 0 HG3 GLU B 96 5.590 25.935 7.027 1.00 10.00 H new ATOM 1641 N LEU B 97 7.247 27.870 3.493 1.00 10.00 N ATOM 1642 CA LEU B 97 6.889 27.656 2.100 1.00 10.00 C ATOM 1643 C LEU B 97 8.040 27.021 1.318 1.00 10.00 C ATOM 1644 O LEU B 97 7.801 26.192 0.444 1.00 10.00 O ATOM 1645 CB LEU B 97 6.455 28.998 1.491 1.00 10.00 C ATOM 1646 CG LEU B 97 5.861 28.907 0.077 1.00 10.00 C ATOM 1647 CD1 LEU B 97 4.563 28.092 0.067 1.00 10.00 C ATOM 1648 CD2 LEU B 97 5.569 30.327 -0.423 1.00 10.00 C ATOM 0 H LEU B 97 7.299 28.859 3.738 1.00 10.00 H new ATOM 0 HA LEU B 97 6.058 26.953 2.042 1.00 10.00 H new ATOM 0 HB2 LEU B 97 5.718 29.457 2.150 1.00 10.00 H new ATOM 0 HB3 LEU B 97 7.318 29.664 1.464 1.00 10.00 H new ATOM 0 HG LEU B 97 6.579 28.406 -0.572 1.00 10.00 H new ATOM 0 HD11 LEU B 97 4.169 28.047 -0.948 1.00 10.00 H new ATOM 0 HD12 LEU B 97 4.765 27.082 0.423 1.00 10.00 H new ATOM 0 HD13 LEU B 97 3.830 28.567 0.720 1.00 10.00 H new ATOM 0 HD21 LEU B 97 5.146 30.280 -1.427 1.00 10.00 H new ATOM 0 HD22 LEU B 97 4.858 30.810 0.248 1.00 10.00 H new ATOM 0 HD23 LEU B 97 6.495 30.902 -0.446 1.00 10.00 H new ATOM 1660 N LEU B 98 9.286 27.404 1.613 1.00 10.00 N ATOM 1661 CA LEU B 98 10.481 26.876 0.962 1.00 10.00 C ATOM 1662 C LEU B 98 10.451 25.347 0.939 1.00 10.00 C ATOM 1663 O LEU B 98 10.594 24.738 -0.120 1.00 10.00 O ATOM 1664 CB LEU B 98 11.729 27.412 1.684 1.00 10.00 C ATOM 1665 CG LEU B 98 13.058 26.782 1.232 1.00 10.00 C ATOM 1666 CD1 LEU B 98 13.346 27.053 -0.249 1.00 10.00 C ATOM 1667 CD2 LEU B 98 14.196 27.348 2.089 1.00 10.00 C ATOM 0 H LEU B 98 9.492 28.104 2.326 1.00 10.00 H new ATOM 0 HA LEU B 98 10.512 27.210 -0.075 1.00 10.00 H new ATOM 0 HB2 LEU B 98 11.784 28.490 1.532 1.00 10.00 H new ATOM 0 HB3 LEU B 98 11.611 27.247 2.755 1.00 10.00 H new ATOM 0 HG LEU B 98 12.983 25.702 1.360 1.00 10.00 H new ATOM 0 HD11 LEU B 98 14.293 26.591 -0.526 1.00 10.00 H new ATOM 0 HD12 LEU B 98 12.545 26.633 -0.858 1.00 10.00 H new ATOM 0 HD13 LEU B 98 13.404 28.128 -0.418 1.00 10.00 H new ATOM 0 HD21 LEU B 98 15.142 26.907 1.775 1.00 10.00 H new ATOM 0 HD22 LEU B 98 14.242 28.430 1.965 1.00 10.00 H new ATOM 0 HD23 LEU B 98 14.015 27.110 3.137 1.00 10.00 H new ATOM 1679 N LEU B 99 10.261 24.725 2.106 1.00 10.00 N ATOM 1680 CA LEU B 99 10.231 23.271 2.202 1.00 10.00 C ATOM 1681 C LEU B 99 9.019 22.743 1.432 1.00 10.00 C ATOM 1682 O LEU B 99 9.170 21.902 0.547 1.00 10.00 O ATOM 1683 CB LEU B 99 10.270 22.843 3.680 1.00 10.00 C ATOM 1684 CG LEU B 99 10.631 21.370 3.960 1.00 10.00 C ATOM 1685 CD1 LEU B 99 9.588 20.364 3.471 1.00 10.00 C ATOM 1686 CD2 LEU B 99 12.000 20.976 3.393 1.00 10.00 C ATOM 0 H LEU B 99 10.126 25.209 2.994 1.00 10.00 H new ATOM 0 HA LEU B 99 11.113 22.828 1.740 1.00 10.00 H new ATOM 0 HB2 LEU B 99 10.990 23.475 4.200 1.00 10.00 H new ATOM 0 HB3 LEU B 99 9.293 23.044 4.120 1.00 10.00 H new ATOM 0 HG LEU B 99 10.660 21.320 5.048 1.00 10.00 H new ATOM 0 HD11 LEU B 99 9.919 19.353 3.707 1.00 10.00 H new ATOM 0 HD12 LEU B 99 8.636 20.558 3.964 1.00 10.00 H new ATOM 0 HD13 LEU B 99 9.465 20.463 2.393 1.00 10.00 H new ATOM 0 HD21 LEU B 99 12.200 19.929 3.620 1.00 10.00 H new ATOM 0 HD22 LEU B 99 12.001 21.119 2.312 1.00 10.00 H new ATOM 0 HD23 LEU B 99 12.773 21.599 3.842 1.00 10.00 H new ATOM 1698 N MET B 100 7.823 23.267 1.721 1.00 10.00 N ATOM 1699 CA MET B 100 6.594 22.879 1.026 1.00 10.00 C ATOM 1700 C MET B 100 6.770 22.873 -0.497 1.00 10.00 C ATOM 1701 O MET B 100 6.289 21.971 -1.182 1.00 10.00 O ATOM 1702 CB MET B 100 5.438 23.798 1.441 1.00 10.00 C ATOM 1703 CG MET B 100 5.031 23.606 2.907 1.00 10.00 C ATOM 1704 SD MET B 100 4.277 22.003 3.284 1.00 10.00 S ATOM 1705 CE MET B 100 3.919 22.238 5.036 1.00 10.00 C ATOM 0 H MET B 100 7.681 23.972 2.444 1.00 10.00 H new ATOM 0 HA MET B 100 6.356 21.857 1.321 1.00 10.00 H new ATOM 0 HB2 MET B 100 5.729 24.836 1.281 1.00 10.00 H new ATOM 0 HB3 MET B 100 4.577 23.606 0.800 1.00 10.00 H new ATOM 0 HG2 MET B 100 5.914 23.733 3.534 1.00 10.00 H new ATOM 0 HG3 MET B 100 4.330 24.395 3.181 1.00 10.00 H new ATOM 0 HE1 MET B 100 3.448 21.340 5.435 1.00 10.00 H new ATOM 0 HE2 MET B 100 4.847 22.431 5.574 1.00 10.00 H new ATOM 0 HE3 MET B 100 3.245 23.086 5.159 1.00 10.00 H new ATOM 1715 N SER B 101 7.475 23.871 -1.031 1.00 10.00 N ATOM 1716 CA SER B 101 7.629 24.047 -2.463 1.00 10.00 C ATOM 1717 C SER B 101 8.329 22.889 -3.170 1.00 10.00 C ATOM 1718 O SER B 101 8.122 22.743 -4.371 1.00 10.00 O ATOM 1719 CB SER B 101 8.410 25.323 -2.774 1.00 10.00 C ATOM 1720 OG SER B 101 7.771 26.494 -2.302 1.00 10.00 O ATOM 0 H SER B 101 7.954 24.579 -0.475 1.00 10.00 H new ATOM 0 HA SER B 101 6.608 24.100 -2.842 1.00 10.00 H new ATOM 0 HB2 SER B 101 9.402 25.253 -2.328 1.00 10.00 H new ATOM 0 HB3 SER B 101 8.550 25.402 -3.852 1.00 10.00 H new ATOM 0 HG SER B 101 7.733 26.474 -1.323 1.00 10.00 H new ATOM 1726 N THR B 102 9.180 22.109 -2.492 1.00 10.00 N ATOM 1727 CA THR B 102 10.055 21.126 -3.138 1.00 10.00 C ATOM 1728 C THR B 102 9.360 20.319 -4.242 1.00 10.00 C ATOM 1729 O THR B 102 9.839 20.267 -5.374 1.00 10.00 O ATOM 1730 CB THR B 102 10.689 20.210 -2.086 1.00 10.00 C ATOM 1731 OG1 THR B 102 11.172 21.000 -1.026 1.00 10.00 O ATOM 1732 CG2 THR B 102 11.885 19.448 -2.657 1.00 10.00 C ATOM 0 H THR B 102 9.280 22.143 -1.478 1.00 10.00 H new ATOM 0 HA THR B 102 10.842 21.687 -3.642 1.00 10.00 H new ATOM 0 HB THR B 102 9.927 19.503 -1.757 1.00 10.00 H new ATOM 0 HG1 THR B 102 10.446 21.177 -0.392 1.00 10.00 H new ATOM 0 HG21 THR B 102 12.311 18.808 -1.885 1.00 10.00 H new ATOM 0 HG22 THR B 102 11.558 18.835 -3.497 1.00 10.00 H new ATOM 0 HG23 THR B 102 12.640 20.157 -2.997 1.00 10.00 H new ATOM 1740 N GLU B 103 8.214 19.712 -3.930 1.00 10.00 N ATOM 1741 CA GLU B 103 7.443 18.934 -4.890 1.00 10.00 C ATOM 1742 C GLU B 103 7.058 19.735 -6.137 1.00 10.00 C ATOM 1743 O GLU B 103 6.998 19.189 -7.234 1.00 10.00 O ATOM 1744 CB GLU B 103 6.216 18.342 -4.195 1.00 10.00 C ATOM 1745 CG GLU B 103 5.267 19.376 -3.564 1.00 10.00 C ATOM 1746 CD GLU B 103 4.190 18.729 -2.693 1.00 10.00 C ATOM 1747 OE1 GLU B 103 4.345 17.528 -2.376 1.00 10.00 O ATOM 1748 OE2 GLU B 103 3.227 19.452 -2.360 1.00 10.00 O ATOM 0 H GLU B 103 7.796 19.749 -3.000 1.00 10.00 H new ATOM 0 HA GLU B 103 8.077 18.124 -5.252 1.00 10.00 H new ATOM 0 HB2 GLU B 103 5.656 17.751 -4.920 1.00 10.00 H new ATOM 0 HB3 GLU B 103 6.552 17.657 -3.417 1.00 10.00 H new ATOM 0 HG2 GLU B 103 5.846 20.075 -2.960 1.00 10.00 H new ATOM 0 HG3 GLU B 103 4.790 19.956 -4.354 1.00 10.00 H new ATOM 1755 N ASN B 104 6.766 21.022 -5.971 1.00 10.00 N ATOM 1756 CA ASN B 104 6.381 21.905 -7.066 1.00 10.00 C ATOM 1757 C ASN B 104 7.622 22.371 -7.822 1.00 10.00 C ATOM 1758 O ASN B 104 7.616 22.409 -9.049 1.00 10.00 O ATOM 1759 CB ASN B 104 5.540 23.073 -6.544 1.00 10.00 C ATOM 1760 CG ASN B 104 4.333 22.568 -5.759 1.00 10.00 C ATOM 1761 OD1 ASN B 104 3.654 21.634 -6.181 1.00 10.00 O ATOM 1762 ND2 ASN B 104 4.080 23.149 -4.592 1.00 10.00 N ATOM 0 H ASN B 104 6.791 21.485 -5.063 1.00 10.00 H new ATOM 0 HA ASN B 104 5.756 21.357 -7.772 1.00 10.00 H new ATOM 0 HB2 ASN B 104 6.152 23.711 -5.906 1.00 10.00 H new ATOM 0 HB3 ASN B 104 5.204 23.687 -7.380 1.00 10.00 H new ATOM 0 HD21 ASN B 104 3.303 22.822 -4.017 1.00 10.00 H new ATOM 0 HD22 ASN B 104 4.663 23.922 -4.270 1.00 10.00 H new