USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot -9:sc= 0.701 USER MOD Set 1.2: A 118 THR OG1 : rot 30:sc= 0.222 USER MOD Set 2.1: A 99 GLN :FLIP amide:sc= 0.53 F(o=0.23,f=1.4) USER MOD Set 2.2: A 101 SER OG : rot 36:sc= 0.854 USER MOD Set 3.1: A 98 HIS : no HD1:sc= -3.55! C(o=-3.7!,f=-5.1!) USER MOD Set 3.2: A 100 THR OG1 : rot 180:sc= -0.123 USER MOD Set 4.1: A 51 GLN : amide:sc= -0.0676 X(o=-1.3,f=-1.4) USER MOD Set 4.2: A 59 MET CE :methyl -120:sc= -0.24 (180deg=-0.565) USER MOD Set 4.3: A 61 ASN : amide:sc= -0.942 K(o=-1.3,f=-6.2!) USER MOD Set 4.4: A 74 MET CE :methyl 175:sc= -0.0798 (180deg=-0.129) USER MOD Set 5.1: A 70 ASN : amide:sc= 0.0963 X(o=0.19,f=-0.14) USER MOD Set 5.2: A 80 LYS NZ :NH3+ -126:sc= 0.0949 (180deg=0) USER MOD Set 6.1: A 52 HIS : no HE2:sc= -1.22 K(o=-1,f=-6.2!) USER MOD Set 6.2: A 58 THR OG1 : rot 8:sc= 0.192 USER MOD Set 7.1: A 53 TYR OH : rot -85:sc= 1.12 USER MOD Set 7.2: A 57 HIS : no HE2:sc= -8.12! C(o=-7!,f=-12!) USER MOD Set 8.1: A 50 SER OG : rot -28:sc= 1.04 USER MOD Set 8.2: A 60 THR OG1 : rot 22:sc= 0.181 USER MOD Set 9.1: A 8 MET CE :methyl -176:sc= -0.0821 (180deg=-0.123) USER MOD Set 9.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 11:sc= 0.209 USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.169) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 14 TYR OH : rot 168:sc= 0.362 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -106:sc= 1 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 0.0385 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 42 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.9!) USER MOD Single : A 45 GLN : amide:sc= 0.951 K(o=0.95,f=-1.3!) USER MOD Single : A 48 THR OG1 : rot 48:sc= 1.11 USER MOD Single : A 54 SER OG : rot -53:sc= 0.492 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 69 SER OG : rot -7:sc= 1.05 USER MOD Single : A 72 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.48) USER MOD Single : A 73 THR OG1 : rot -133:sc= 0.817 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -6:sc= 0.884 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.21) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 138:sc= 1.41 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= 0.79 (180deg=0.719) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.182 8.803 13.931 1.00 0.00 N ATOM 2 CA ALA A 1 0.671 9.125 12.608 1.00 0.00 C ATOM 3 C ALA A 1 0.349 7.837 11.879 1.00 0.00 C ATOM 4 O ALA A 1 -0.823 7.531 11.724 1.00 0.00 O ATOM 5 CB ALA A 1 1.663 10.063 11.869 1.00 0.00 C ATOM 0 H1 ALA A 1 1.406 9.682 14.440 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.463 8.270 14.461 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.043 8.227 13.840 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.262 9.686 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.272 10.299 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.787 10.984 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.628 9.566 11.769 1.00 0.00 H new ATOM 11 N PHE A 2 1.362 7.059 11.432 1.00 0.00 N ATOM 12 CA PHE A 2 1.100 5.763 10.802 1.00 0.00 C ATOM 13 C PHE A 2 0.577 4.767 11.814 1.00 0.00 C ATOM 14 O PHE A 2 1.314 3.880 12.214 1.00 0.00 O ATOM 15 CB PHE A 2 2.389 5.198 10.150 1.00 0.00 C ATOM 16 CG PHE A 2 2.789 6.025 8.927 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.142 5.805 7.706 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.802 6.986 9.021 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.516 6.534 6.575 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.165 7.731 7.898 1.00 0.00 C ATOM 21 CZ PHE A 2 3.527 7.491 6.680 1.00 0.00 C ATOM 0 H PHE A 2 2.349 7.308 11.498 1.00 0.00 H new ATOM 0 HA PHE A 2 0.345 5.919 10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.201 5.201 10.877 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.228 4.161 9.856 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.353 5.071 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.303 7.151 9.963 1.00 0.00 H new ATOM 0 HE1 PHE A 2 2.028 6.359 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.933 8.487 7.971 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.820 8.054 5.806 1.00 0.00 H new ATOM 31 N THR A 3 -0.704 4.881 12.227 1.00 0.00 N ATOM 32 CA THR A 3 -1.273 3.904 13.153 1.00 0.00 C ATOM 33 C THR A 3 -2.778 4.052 13.124 1.00 0.00 C ATOM 34 O THR A 3 -3.240 5.145 13.414 1.00 0.00 O ATOM 35 CB THR A 3 -0.755 4.132 14.601 1.00 0.00 C ATOM 36 OG1 THR A 3 0.646 3.814 14.660 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.523 3.255 15.627 1.00 0.00 C ATOM 0 H THR A 3 -1.342 5.623 11.938 1.00 0.00 H new ATOM 0 HA THR A 3 -0.974 2.901 12.847 1.00 0.00 H new ATOM 0 HB THR A 3 -0.920 5.178 14.859 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.994 3.699 13.751 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.134 3.441 16.628 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.584 3.505 15.598 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.391 2.202 15.376 1.00 0.00 H new ATOM 45 N GLY A 4 -3.552 2.995 12.788 1.00 0.00 N ATOM 46 CA GLY A 4 -5.007 3.113 12.807 1.00 0.00 C ATOM 47 C GLY A 4 -5.631 2.176 11.808 1.00 0.00 C ATOM 48 O GLY A 4 -4.893 1.503 11.106 1.00 0.00 O ATOM 0 H GLY A 4 -3.196 2.081 12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.382 2.889 13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.296 4.139 12.580 1.00 0.00 H new ATOM 52 N LYS A 5 -6.982 2.138 11.728 1.00 0.00 N ATOM 53 CA LYS A 5 -7.637 1.369 10.673 1.00 0.00 C ATOM 54 C LYS A 5 -7.908 2.319 9.537 1.00 0.00 C ATOM 55 O LYS A 5 -8.144 3.487 9.799 1.00 0.00 O ATOM 56 CB LYS A 5 -8.950 0.694 11.151 1.00 0.00 C ATOM 57 CG LYS A 5 -9.681 -0.077 10.010 1.00 0.00 C ATOM 58 CD LYS A 5 -10.891 -0.929 10.493 1.00 0.00 C ATOM 59 CE LYS A 5 -10.555 -2.384 10.940 1.00 0.00 C ATOM 60 NZ LYS A 5 -9.788 -2.502 12.203 1.00 0.00 N ATOM 0 H LYS A 5 -7.614 2.620 12.367 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.985 0.553 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.724 0.003 11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.618 1.454 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.029 0.640 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.966 -0.731 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.366 -0.412 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.624 -0.976 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.488 -2.937 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.989 -2.868 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.762 -3.498 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.817 -2.160 12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.246 -1.931 12.942 1.00 0.00 H new ATOM 74 N PHE A 6 -7.878 1.828 8.277 1.00 0.00 N ATOM 75 CA PHE A 6 -8.191 2.679 7.139 1.00 0.00 C ATOM 76 C PHE A 6 -8.857 1.848 6.067 1.00 0.00 C ATOM 77 O PHE A 6 -8.824 0.638 6.217 1.00 0.00 O ATOM 78 CB PHE A 6 -6.883 3.266 6.546 1.00 0.00 C ATOM 79 CG PHE A 6 -5.970 3.977 7.549 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.105 3.234 8.359 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.964 5.373 7.636 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.222 3.883 9.225 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.062 6.025 8.481 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.214 5.278 9.304 1.00 0.00 C ATOM 0 H PHE A 6 -7.643 0.864 8.039 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.848 3.484 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.321 2.458 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.146 3.970 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.120 2.155 8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.661 5.950 7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.544 3.305 9.835 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.020 7.104 8.498 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.555 5.778 9.999 1.00 0.00 H new ATOM 94 N GLU A 7 -9.435 2.424 4.983 1.00 0.00 N ATOM 95 CA GLU A 7 -9.903 1.562 3.892 1.00 0.00 C ATOM 96 C GLU A 7 -9.990 2.322 2.589 1.00 0.00 C ATOM 97 O GLU A 7 -10.343 3.490 2.627 1.00 0.00 O ATOM 98 CB GLU A 7 -11.252 0.857 4.196 1.00 0.00 C ATOM 99 CG GLU A 7 -12.419 1.864 4.334 1.00 0.00 C ATOM 100 CD GLU A 7 -13.685 1.156 4.742 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.173 0.310 3.944 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.201 1.436 5.858 1.00 0.00 O ATOM 0 H GLU A 7 -9.579 3.425 4.851 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.153 0.777 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.478 0.149 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.160 0.282 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.166 2.623 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.574 2.381 3.387 1.00 0.00 H new ATOM 109 N MET A 8 -9.674 1.679 1.438 1.00 0.00 N ATOM 110 CA MET A 8 -9.686 2.394 0.161 1.00 0.00 C ATOM 111 C MET A 8 -11.071 2.893 -0.154 1.00 0.00 C ATOM 112 O MET A 8 -12.028 2.385 0.405 1.00 0.00 O ATOM 113 CB MET A 8 -9.068 1.557 -0.993 1.00 0.00 C ATOM 114 CG MET A 8 -7.521 1.586 -0.871 1.00 0.00 C ATOM 115 SD MET A 8 -6.774 0.199 -1.788 1.00 0.00 S ATOM 116 CE MET A 8 -6.147 -0.769 -0.380 1.00 0.00 C ATOM 0 H MET A 8 -9.416 0.694 1.378 1.00 0.00 H new ATOM 0 HA MET A 8 -9.041 3.267 0.261 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.429 0.530 -0.947 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.377 1.961 -1.957 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.139 2.531 -1.257 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.233 1.531 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.590 -1.630 -0.750 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.490 -0.145 0.227 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.985 -1.112 0.227 1.00 0.00 H new ATOM 126 N GLU A 9 -11.171 3.914 -1.037 1.00 0.00 N ATOM 127 CA GLU A 9 -12.459 4.553 -1.291 1.00 0.00 C ATOM 128 C GLU A 9 -12.425 5.284 -2.616 1.00 0.00 C ATOM 129 O GLU A 9 -13.226 4.945 -3.474 1.00 0.00 O ATOM 130 CB GLU A 9 -12.798 5.493 -0.102 1.00 0.00 C ATOM 131 CG GLU A 9 -14.109 6.288 -0.339 1.00 0.00 C ATOM 132 CD GLU A 9 -14.502 7.041 0.907 1.00 0.00 C ATOM 133 OE1 GLU A 9 -14.815 6.373 1.930 1.00 0.00 O ATOM 134 OE2 GLU A 9 -14.505 8.301 0.878 1.00 0.00 O ATOM 0 H GLU A 9 -10.389 4.297 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.248 3.805 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.893 4.903 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.975 6.191 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.974 6.986 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.909 5.605 -0.626 1.00 0.00 H new ATOM 141 N SER A 10 -11.511 6.269 -2.805 1.00 0.00 N ATOM 142 CA SER A 10 -11.374 6.932 -4.106 1.00 0.00 C ATOM 143 C SER A 10 -10.086 6.454 -4.738 1.00 0.00 C ATOM 144 O SER A 10 -9.282 5.861 -4.035 1.00 0.00 O ATOM 145 CB SER A 10 -11.453 8.472 -3.967 1.00 0.00 C ATOM 146 OG SER A 10 -12.634 8.796 -3.215 1.00 0.00 O ATOM 0 H SER A 10 -10.875 6.609 -2.084 1.00 0.00 H new ATOM 0 HA SER A 10 -12.203 6.666 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.565 8.854 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.488 8.941 -4.950 1.00 0.00 H new ATOM 0 HG SER A 10 -12.701 9.769 -3.114 1.00 0.00 H new ATOM 152 N GLU A 11 -9.884 6.666 -6.061 1.00 0.00 N ATOM 153 CA GLU A 11 -8.801 5.969 -6.760 1.00 0.00 C ATOM 154 C GLU A 11 -8.465 6.669 -8.067 1.00 0.00 C ATOM 155 O GLU A 11 -9.338 7.353 -8.577 1.00 0.00 O ATOM 156 CB GLU A 11 -9.357 4.529 -6.967 1.00 0.00 C ATOM 157 CG GLU A 11 -8.489 3.615 -7.850 1.00 0.00 C ATOM 158 CD GLU A 11 -9.177 2.319 -8.183 1.00 0.00 C ATOM 159 OE1 GLU A 11 -9.942 2.304 -9.182 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.950 1.311 -7.460 1.00 0.00 O ATOM 0 H GLU A 11 -10.441 7.294 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.862 5.957 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.476 4.059 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.350 4.600 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.238 4.138 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.550 3.404 -7.338 1.00 0.00 H new ATOM 167 N LYS A 12 -7.231 6.531 -8.620 1.00 0.00 N ATOM 168 CA LYS A 12 -6.860 7.264 -9.837 1.00 0.00 C ATOM 169 C LYS A 12 -5.676 6.615 -10.533 1.00 0.00 C ATOM 170 O LYS A 12 -4.740 6.279 -9.831 1.00 0.00 O ATOM 171 CB LYS A 12 -6.498 8.709 -9.394 1.00 0.00 C ATOM 172 CG LYS A 12 -5.973 9.582 -10.566 1.00 0.00 C ATOM 173 CD LYS A 12 -5.644 11.045 -10.153 1.00 0.00 C ATOM 174 CE LYS A 12 -6.893 11.879 -9.752 1.00 0.00 C ATOM 175 NZ LYS A 12 -6.551 13.308 -9.563 1.00 0.00 N ATOM 0 H LYS A 12 -6.498 5.930 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.685 7.260 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.378 9.183 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.741 8.666 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.077 9.120 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.719 9.596 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.946 11.028 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.138 11.541 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.658 11.785 -10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.318 11.480 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.406 13.837 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.839 13.398 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.168 13.694 -10.450 1.00 0.00 H new ATOM 189 N ASN A 13 -5.665 6.429 -11.879 1.00 0.00 N ATOM 190 CA ASN A 13 -4.527 5.766 -12.537 1.00 0.00 C ATOM 191 C ASN A 13 -4.249 4.424 -11.887 1.00 0.00 C ATOM 192 O ASN A 13 -3.109 4.039 -11.682 1.00 0.00 O ATOM 193 CB ASN A 13 -3.286 6.697 -12.604 1.00 0.00 C ATOM 194 CG ASN A 13 -3.293 7.590 -13.826 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.396 7.473 -14.648 1.00 0.00 O ATOM 196 ND2 ASN A 13 -4.285 8.492 -13.988 1.00 0.00 N ATOM 0 H ASN A 13 -6.413 6.722 -12.508 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.788 5.560 -13.575 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.252 7.315 -11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.381 6.090 -12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.297 9.095 -14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.022 8.570 -13.288 1.00 0.00 H new ATOM 203 N TYR A 14 -5.332 3.687 -11.568 1.00 0.00 N ATOM 204 CA TYR A 14 -5.210 2.384 -10.920 1.00 0.00 C ATOM 205 C TYR A 14 -5.282 1.301 -11.963 1.00 0.00 C ATOM 206 O TYR A 14 -4.390 0.470 -12.001 1.00 0.00 O ATOM 207 CB TYR A 14 -6.376 2.232 -9.916 1.00 0.00 C ATOM 208 CG TYR A 14 -6.625 0.776 -9.518 1.00 0.00 C ATOM 209 CD1 TYR A 14 -5.700 0.113 -8.709 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.774 0.101 -9.945 1.00 0.00 C ATOM 211 CE1 TYR A 14 -5.967 -1.175 -8.243 1.00 0.00 C ATOM 212 CE2 TYR A 14 -8.022 -1.201 -9.508 1.00 0.00 C ATOM 213 CZ TYR A 14 -7.082 -1.872 -8.722 1.00 0.00 C ATOM 214 OH TYR A 14 -7.262 -3.225 -8.433 1.00 0.00 O ATOM 0 H TYR A 14 -6.292 3.978 -11.751 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.258 2.304 -10.396 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.159 2.817 -9.022 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.284 2.645 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.773 0.599 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.469 0.588 -10.613 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.315 -1.633 -7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.945 -1.692 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.170 -3.495 -8.685 1.00 0.00 H new ATOM 224 N ASP A 15 -6.332 1.286 -12.814 1.00 0.00 N ATOM 225 CA ASP A 15 -6.400 0.258 -13.844 1.00 0.00 C ATOM 226 C ASP A 15 -5.107 0.270 -14.620 1.00 0.00 C ATOM 227 O ASP A 15 -4.444 -0.750 -14.646 1.00 0.00 O ATOM 228 CB ASP A 15 -7.603 0.456 -14.800 1.00 0.00 C ATOM 229 CG ASP A 15 -8.884 0.152 -14.063 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.338 1.028 -13.277 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.442 -0.962 -14.256 1.00 0.00 O ATOM 0 H ASP A 15 -7.107 1.949 -12.802 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.546 -0.706 -13.357 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.620 1.480 -15.174 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.505 -0.198 -15.666 1.00 0.00 H new ATOM 236 N GLU A 16 -4.716 1.403 -15.240 1.00 0.00 N ATOM 237 CA GLU A 16 -3.462 1.430 -15.991 1.00 0.00 C ATOM 238 C GLU A 16 -2.336 0.901 -15.129 1.00 0.00 C ATOM 239 O GLU A 16 -1.616 0.026 -15.583 1.00 0.00 O ATOM 240 CB GLU A 16 -3.060 2.856 -16.465 1.00 0.00 C ATOM 241 CG GLU A 16 -4.093 3.493 -17.432 1.00 0.00 C ATOM 242 CD GLU A 16 -3.513 4.748 -18.034 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.350 5.746 -17.281 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.213 4.747 -19.259 1.00 0.00 O ATOM 0 H GLU A 16 -5.237 2.280 -15.233 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.626 0.809 -16.872 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.941 3.501 -15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.090 2.807 -16.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.353 2.786 -18.220 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.013 3.726 -16.896 1.00 0.00 H new ATOM 251 N PHE A 17 -2.147 1.405 -13.887 1.00 0.00 N ATOM 252 CA PHE A 17 -1.035 0.898 -13.085 1.00 0.00 C ATOM 253 C PHE A 17 -1.058 -0.609 -12.983 1.00 0.00 C ATOM 254 O PHE A 17 -0.027 -1.219 -13.205 1.00 0.00 O ATOM 255 CB PHE A 17 -1.041 1.434 -11.631 1.00 0.00 C ATOM 256 CG PHE A 17 0.199 0.952 -10.860 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.459 1.393 -11.271 1.00 0.00 C ATOM 258 CD2 PHE A 17 0.069 0.127 -9.737 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.589 1.001 -10.555 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.204 -0.250 -9.017 1.00 0.00 C ATOM 261 CZ PHE A 17 2.468 0.112 -9.488 1.00 0.00 C ATOM 0 H PHE A 17 -2.721 2.123 -13.446 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.144 1.246 -13.607 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.066 2.524 -11.642 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.944 1.099 -11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.557 2.032 -12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.907 -0.217 -9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.560 1.387 -10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.105 -0.817 -8.103 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.353 -0.298 -9.025 1.00 0.00 H new ATOM 271 N MET A 18 -2.213 -1.216 -12.637 1.00 0.00 N ATOM 272 CA MET A 18 -2.257 -2.658 -12.385 1.00 0.00 C ATOM 273 C MET A 18 -2.197 -3.411 -13.696 1.00 0.00 C ATOM 274 O MET A 18 -1.397 -4.324 -13.829 1.00 0.00 O ATOM 275 CB MET A 18 -3.526 -3.007 -11.564 1.00 0.00 C ATOM 276 CG MET A 18 -3.525 -2.367 -10.152 1.00 0.00 C ATOM 277 SD MET A 18 -2.096 -2.906 -9.152 1.00 0.00 S ATOM 278 CE MET A 18 -2.854 -4.134 -8.044 1.00 0.00 C ATOM 0 H MET A 18 -3.106 -0.735 -12.529 1.00 0.00 H new ATOM 0 HA MET A 18 -1.391 -2.961 -11.796 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.409 -2.672 -12.109 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.603 -4.090 -11.467 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.511 -1.281 -10.247 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.448 -2.630 -9.635 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.093 -4.543 -7.379 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.635 -3.657 -7.452 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.289 -4.939 -8.636 1.00 0.00 H new ATOM 288 N LYS A 19 -3.033 -3.008 -14.678 1.00 0.00 N ATOM 289 CA LYS A 19 -2.958 -3.541 -16.041 1.00 0.00 C ATOM 290 C LYS A 19 -1.520 -3.741 -16.464 1.00 0.00 C ATOM 291 O LYS A 19 -1.189 -4.789 -16.996 1.00 0.00 O ATOM 292 CB LYS A 19 -3.608 -2.527 -17.036 1.00 0.00 C ATOM 293 CG LYS A 19 -5.167 -2.511 -17.016 1.00 0.00 C ATOM 294 CD LYS A 19 -5.837 -3.424 -18.084 1.00 0.00 C ATOM 295 CE LYS A 19 -5.477 -4.930 -17.961 1.00 0.00 C ATOM 296 NZ LYS A 19 -6.281 -5.760 -18.888 1.00 0.00 N ATOM 0 H LYS A 19 -3.767 -2.313 -14.543 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.483 -4.496 -16.056 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.244 -1.526 -16.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.273 -2.763 -18.046 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.508 -2.819 -16.028 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.509 -1.487 -17.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.919 -3.315 -18.010 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.549 -3.074 -19.075 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.417 -5.070 -18.173 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.644 -5.262 -16.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.015 -6.759 -18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.291 -5.645 -18.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.102 -5.459 -19.867 1.00 0.00 H new ATOM 310 N LEU A 20 -0.663 -2.722 -16.234 1.00 0.00 N ATOM 311 CA LEU A 20 0.725 -2.789 -16.693 1.00 0.00 C ATOM 312 C LEU A 20 1.607 -3.465 -15.665 1.00 0.00 C ATOM 313 O LEU A 20 2.517 -4.180 -16.057 1.00 0.00 O ATOM 314 CB LEU A 20 1.226 -1.347 -16.979 1.00 0.00 C ATOM 315 CG LEU A 20 0.363 -0.616 -18.058 1.00 0.00 C ATOM 316 CD1 LEU A 20 0.612 0.913 -17.981 1.00 0.00 C ATOM 317 CD2 LEU A 20 0.646 -1.137 -19.495 1.00 0.00 C ATOM 0 H LEU A 20 -0.909 -1.863 -15.742 1.00 0.00 H new ATOM 0 HA LEU A 20 0.774 -3.384 -17.605 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.210 -0.770 -16.054 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.263 -1.386 -17.313 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.684 -0.830 -17.842 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.008 1.418 -18.735 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.336 1.277 -16.991 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.667 1.119 -18.163 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.022 -0.597 -20.207 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.696 -0.978 -19.740 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.419 -2.202 -19.547 1.00 0.00 H new ATOM 329 N LEU A 21 1.361 -3.259 -14.351 1.00 0.00 N ATOM 330 CA LEU A 21 2.179 -3.910 -13.326 1.00 0.00 C ATOM 331 C LEU A 21 2.200 -5.399 -13.593 1.00 0.00 C ATOM 332 O LEU A 21 3.256 -6.003 -13.486 1.00 0.00 O ATOM 333 CB LEU A 21 1.596 -3.645 -11.907 1.00 0.00 C ATOM 334 CG LEU A 21 2.463 -4.130 -10.712 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.800 -3.348 -10.638 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.685 -3.903 -9.387 1.00 0.00 C ATOM 0 H LEU A 21 0.618 -2.660 -13.990 1.00 0.00 H new ATOM 0 HA LEU A 21 3.190 -3.504 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.430 -2.573 -11.798 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.620 -4.127 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 21 2.679 -5.188 -10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.386 -3.708 -9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.362 -3.500 -11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.593 -2.285 -10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.291 -4.242 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.466 -2.842 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.752 -4.466 -9.412 1.00 0.00 H new ATOM 348 N GLY A 22 1.030 -5.981 -13.954 1.00 0.00 N ATOM 349 CA GLY A 22 0.943 -7.400 -14.299 1.00 0.00 C ATOM 350 C GLY A 22 -0.096 -8.060 -13.423 1.00 0.00 C ATOM 351 O GLY A 22 0.274 -8.888 -12.606 1.00 0.00 O ATOM 0 H GLY A 22 0.142 -5.482 -14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.677 -7.516 -15.350 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.912 -7.881 -14.161 1.00 0.00 H new ATOM 355 N ILE A 23 -1.390 -7.687 -13.580 1.00 0.00 N ATOM 356 CA ILE A 23 -2.448 -8.180 -12.694 1.00 0.00 C ATOM 357 C ILE A 23 -3.631 -8.607 -13.538 1.00 0.00 C ATOM 358 O ILE A 23 -3.722 -8.135 -14.660 1.00 0.00 O ATOM 359 CB ILE A 23 -2.848 -7.016 -11.746 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.635 -6.411 -10.979 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.978 -7.422 -10.767 1.00 0.00 C ATOM 362 CD1 ILE A 23 -1.002 -7.338 -9.909 1.00 0.00 C ATOM 0 H ILE A 23 -1.714 -7.051 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.111 -9.035 -12.107 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.235 -6.230 -12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.866 -6.140 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.955 -5.489 -10.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.224 -6.577 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.862 -7.717 -11.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.645 -8.259 -10.154 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.166 -6.826 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.750 -7.590 -9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.644 -8.251 -10.385 1.00 0.00 H new ATOM 374 N SER A 24 -4.531 -9.489 -13.034 1.00 0.00 N ATOM 375 CA SER A 24 -5.631 -9.984 -13.869 1.00 0.00 C ATOM 376 C SER A 24 -6.875 -9.133 -13.742 1.00 0.00 C ATOM 377 O SER A 24 -7.212 -8.760 -12.631 1.00 0.00 O ATOM 378 CB SER A 24 -5.995 -11.450 -13.521 1.00 0.00 C ATOM 379 OG SER A 24 -7.073 -11.931 -14.343 1.00 0.00 O ATOM 0 H SER A 24 -4.512 -9.857 -12.083 1.00 0.00 H new ATOM 0 HA SER A 24 -5.271 -9.930 -14.896 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.120 -12.086 -13.656 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.278 -11.517 -12.471 1.00 0.00 H new ATOM 0 HG SER A 24 -7.896 -11.973 -13.812 1.00 0.00 H new ATOM 385 N SER A 25 -7.576 -8.821 -14.859 1.00 0.00 N ATOM 386 CA SER A 25 -8.707 -7.894 -14.800 1.00 0.00 C ATOM 387 C SER A 25 -9.692 -8.207 -13.699 1.00 0.00 C ATOM 388 O SER A 25 -10.162 -7.279 -13.058 1.00 0.00 O ATOM 389 CB SER A 25 -9.498 -7.869 -16.135 1.00 0.00 C ATOM 390 OG SER A 25 -10.629 -6.983 -16.054 1.00 0.00 O ATOM 0 H SER A 25 -7.376 -9.194 -15.787 1.00 0.00 H new ATOM 0 HA SER A 25 -8.250 -6.925 -14.599 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.841 -7.551 -16.944 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.838 -8.876 -16.378 1.00 0.00 H new ATOM 0 HG SER A 25 -11.108 -6.985 -16.909 1.00 0.00 H new ATOM 396 N ASP A 26 -10.034 -9.493 -13.464 1.00 0.00 N ATOM 397 CA ASP A 26 -11.063 -9.789 -12.471 1.00 0.00 C ATOM 398 C ASP A 26 -10.666 -9.219 -11.129 1.00 0.00 C ATOM 399 O ASP A 26 -11.494 -8.588 -10.491 1.00 0.00 O ATOM 400 CB ASP A 26 -11.349 -11.309 -12.330 1.00 0.00 C ATOM 401 CG ASP A 26 -10.148 -12.074 -11.837 1.00 0.00 C ATOM 402 OD1 ASP A 26 -9.031 -11.827 -12.365 1.00 0.00 O ATOM 403 OD2 ASP A 26 -10.306 -12.923 -10.918 1.00 0.00 O ATOM 0 H ASP A 26 -9.627 -10.304 -13.931 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.983 -9.321 -12.822 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.180 -11.458 -11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.661 -11.709 -13.295 1.00 0.00 H new ATOM 408 N VAL A 27 -9.403 -9.428 -10.689 1.00 0.00 N ATOM 409 CA VAL A 27 -8.994 -8.917 -9.384 1.00 0.00 C ATOM 410 C VAL A 27 -8.765 -7.424 -9.454 1.00 0.00 C ATOM 411 O VAL A 27 -8.938 -6.770 -8.436 1.00 0.00 O ATOM 412 CB VAL A 27 -7.771 -9.663 -8.772 1.00 0.00 C ATOM 413 CG1 VAL A 27 -8.038 -11.190 -8.662 1.00 0.00 C ATOM 414 CG2 VAL A 27 -6.440 -9.388 -9.513 1.00 0.00 C ATOM 0 H VAL A 27 -8.681 -9.930 -11.206 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.817 -9.116 -8.698 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.649 -9.255 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.166 -11.682 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.904 -11.363 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.232 -11.598 -9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.634 -9.941 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.529 -9.708 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.219 -8.321 -9.480 1.00 0.00 H new ATOM 424 N ILE A 28 -8.391 -6.849 -10.623 1.00 0.00 N ATOM 425 CA ILE A 28 -8.245 -5.397 -10.696 1.00 0.00 C ATOM 426 C ILE A 28 -9.563 -4.797 -10.265 1.00 0.00 C ATOM 427 O ILE A 28 -9.599 -4.011 -9.332 1.00 0.00 O ATOM 428 CB ILE A 28 -7.834 -4.855 -12.104 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.432 -5.402 -12.501 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.848 -3.301 -12.136 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.923 -4.954 -13.890 1.00 0.00 C ATOM 0 H ILE A 28 -8.195 -7.353 -11.488 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.423 -5.107 -10.041 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.566 -5.206 -12.831 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.710 -5.087 -11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.464 -6.491 -12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.558 -2.955 -13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.851 -2.941 -11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.145 -2.916 -11.397 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.940 -5.387 -14.074 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.618 -5.292 -14.659 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.852 -3.867 -13.918 1.00 0.00 H new ATOM 443 N GLU A 29 -10.671 -5.172 -10.939 1.00 0.00 N ATOM 444 CA GLU A 29 -11.950 -4.543 -10.628 1.00 0.00 C ATOM 445 C GLU A 29 -12.295 -4.692 -9.163 1.00 0.00 C ATOM 446 O GLU A 29 -13.000 -3.833 -8.656 1.00 0.00 O ATOM 447 CB GLU A 29 -13.118 -5.112 -11.479 1.00 0.00 C ATOM 448 CG GLU A 29 -12.962 -4.830 -13.000 1.00 0.00 C ATOM 449 CD GLU A 29 -12.796 -3.355 -13.267 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.810 -2.613 -13.159 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.652 -2.924 -13.579 1.00 0.00 O ATOM 0 H GLU A 29 -10.698 -5.880 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.828 -3.488 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.184 -6.188 -11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.056 -4.681 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.099 -5.372 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.837 -5.203 -13.533 1.00 0.00 H new ATOM 458 N LYS A 30 -11.827 -5.748 -8.455 1.00 0.00 N ATOM 459 CA LYS A 30 -12.191 -5.870 -7.047 1.00 0.00 C ATOM 460 C LYS A 30 -11.663 -4.678 -6.290 1.00 0.00 C ATOM 461 O LYS A 30 -12.471 -3.955 -5.735 1.00 0.00 O ATOM 462 CB LYS A 30 -11.718 -7.172 -6.340 1.00 0.00 C ATOM 463 CG LYS A 30 -12.494 -8.417 -6.848 1.00 0.00 C ATOM 464 CD LYS A 30 -11.978 -9.757 -6.247 1.00 0.00 C ATOM 465 CE LYS A 30 -12.222 -9.881 -4.716 1.00 0.00 C ATOM 466 NZ LYS A 30 -11.889 -11.237 -4.221 1.00 0.00 N ATOM 0 H LYS A 30 -11.228 -6.487 -8.823 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.280 -5.915 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.651 -7.313 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.856 -7.072 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.550 -8.301 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.420 -8.463 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.469 -10.587 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.910 -9.849 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.618 -9.142 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.265 -9.657 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.063 -11.285 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.483 -11.939 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.887 -11.440 -4.412 1.00 0.00 H new ATOM 480 N ALA A 31 -10.339 -4.422 -6.226 1.00 0.00 N ATOM 481 CA ALA A 31 -9.891 -3.341 -5.347 1.00 0.00 C ATOM 482 C ALA A 31 -10.614 -2.050 -5.651 1.00 0.00 C ATOM 483 O ALA A 31 -10.821 -1.264 -4.739 1.00 0.00 O ATOM 484 CB ALA A 31 -8.374 -3.047 -5.396 1.00 0.00 C ATOM 0 H ALA A 31 -9.609 -4.917 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.127 -3.708 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.139 -2.232 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.821 -3.939 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.091 -2.763 -6.410 1.00 0.00 H new ATOM 490 N ARG A 32 -11.008 -1.815 -6.924 1.00 0.00 N ATOM 491 CA ARG A 32 -11.737 -0.589 -7.230 1.00 0.00 C ATOM 492 C ARG A 32 -13.095 -0.631 -6.567 1.00 0.00 C ATOM 493 O ARG A 32 -13.369 0.221 -5.736 1.00 0.00 O ATOM 494 CB ARG A 32 -11.831 -0.343 -8.762 1.00 0.00 C ATOM 495 CG ARG A 32 -12.737 0.872 -9.099 1.00 0.00 C ATOM 496 CD ARG A 32 -12.717 1.192 -10.619 1.00 0.00 C ATOM 497 NE ARG A 32 -13.580 2.344 -10.900 1.00 0.00 N ATOM 498 CZ ARG A 32 -13.231 3.602 -10.714 1.00 0.00 C ATOM 499 NH1 ARG A 32 -12.060 3.971 -10.244 1.00 0.00 N ATOM 500 NH2 ARG A 32 -14.098 4.544 -11.013 1.00 0.00 N ATOM 0 H ARG A 32 -10.838 -2.435 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.187 0.261 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.832 -0.174 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.224 -1.235 -9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.759 0.664 -8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.402 1.744 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.697 1.404 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.057 0.325 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.515 2.159 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.363 3.267 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.848 4.961 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.016 4.294 -11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.852 5.525 -10.878 1.00 0.00 H new ATOM 514 N ASN A 33 -13.966 -1.604 -6.915 1.00 0.00 N ATOM 515 CA ASN A 33 -15.301 -1.623 -6.318 1.00 0.00 C ATOM 516 C ASN A 33 -15.201 -1.977 -4.851 1.00 0.00 C ATOM 517 O ASN A 33 -15.693 -1.232 -4.018 1.00 0.00 O ATOM 518 CB ASN A 33 -16.240 -2.628 -7.038 1.00 0.00 C ATOM 519 CG ASN A 33 -17.587 -2.667 -6.356 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.875 -3.634 -5.667 1.00 0.00 O ATOM 521 ND2 ASN A 33 -18.432 -1.625 -6.522 1.00 0.00 N ATOM 0 H ASN A 33 -13.772 -2.354 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.730 -0.627 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.361 -2.339 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.793 -3.622 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -19.344 -1.630 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -18.158 -0.834 -7.105 1.00 0.00 H new ATOM 528 N PHE A 34 -14.568 -3.124 -4.523 1.00 0.00 N ATOM 529 CA PHE A 34 -14.476 -3.556 -3.131 1.00 0.00 C ATOM 530 C PHE A 34 -13.515 -2.658 -2.388 1.00 0.00 C ATOM 531 O PHE A 34 -12.444 -2.407 -2.917 1.00 0.00 O ATOM 532 CB PHE A 34 -13.988 -5.028 -3.006 1.00 0.00 C ATOM 533 CG PHE A 34 -13.635 -5.403 -1.558 1.00 0.00 C ATOM 534 CD1 PHE A 34 -14.582 -5.244 -0.539 1.00 0.00 C ATOM 535 CD2 PHE A 34 -12.370 -5.907 -1.235 1.00 0.00 C ATOM 536 CE1 PHE A 34 -14.241 -5.485 0.795 1.00 0.00 C ATOM 537 CE2 PHE A 34 -12.046 -6.198 0.092 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.967 -5.958 1.114 1.00 0.00 C ATOM 0 H PHE A 34 -14.124 -3.750 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.476 -3.493 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.765 -5.699 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -13.114 -5.174 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.586 -4.932 -0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.641 -6.072 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.963 -5.305 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.077 -6.611 0.329 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.695 -6.137 2.144 1.00 0.00 H new ATOM 548 N LYS A 35 -13.866 -2.178 -1.171 1.00 0.00 N ATOM 549 CA LYS A 35 -12.934 -1.356 -0.406 1.00 0.00 C ATOM 550 C LYS A 35 -11.969 -2.291 0.289 1.00 0.00 C ATOM 551 O LYS A 35 -12.300 -2.787 1.354 1.00 0.00 O ATOM 552 CB LYS A 35 -13.662 -0.460 0.638 1.00 0.00 C ATOM 553 CG LYS A 35 -14.596 0.579 -0.043 1.00 0.00 C ATOM 554 CD LYS A 35 -15.191 1.568 0.997 1.00 0.00 C ATOM 555 CE LYS A 35 -16.109 2.624 0.324 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.560 3.648 1.295 1.00 0.00 N ATOM 0 H LYS A 35 -14.765 -2.346 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.411 -0.680 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.246 -1.088 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.924 0.060 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.038 1.133 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.404 0.061 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.760 1.013 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.381 2.073 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.572 3.107 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.976 2.129 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.488 4.016 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.637 3.220 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.872 4.427 1.322 1.00 0.00 H new ATOM 570 N ILE A 36 -10.767 -2.538 -0.283 1.00 0.00 N ATOM 571 CA ILE A 36 -9.771 -3.327 0.443 1.00 0.00 C ATOM 572 C ILE A 36 -9.469 -2.563 1.710 1.00 0.00 C ATOM 573 O ILE A 36 -9.425 -1.344 1.648 1.00 0.00 O ATOM 574 CB ILE A 36 -8.493 -3.630 -0.402 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.837 -4.665 -1.514 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.303 -4.086 0.491 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.649 -5.020 -2.446 1.00 0.00 C ATOM 0 H ILE A 36 -10.480 -2.214 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.164 -4.317 0.673 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.162 -2.710 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.200 -5.579 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.654 -4.272 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.434 -4.287 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.061 -3.299 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.579 -4.992 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.975 -5.746 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.298 -4.118 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.838 -5.445 -1.855 1.00 0.00 H new ATOM 589 N VAL A 37 -9.280 -3.257 2.860 1.00 0.00 N ATOM 590 CA VAL A 37 -9.077 -2.557 4.125 1.00 0.00 C ATOM 591 C VAL A 37 -7.597 -2.437 4.350 1.00 0.00 C ATOM 592 O VAL A 37 -6.850 -3.254 3.836 1.00 0.00 O ATOM 593 CB VAL A 37 -9.799 -3.278 5.299 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.527 -2.662 6.701 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.322 -3.232 5.024 1.00 0.00 C ATOM 0 H VAL A 37 -9.266 -4.275 2.925 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.518 -1.561 4.081 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.405 -4.294 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.070 -3.227 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.459 -2.702 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.861 -1.625 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.853 -3.732 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.649 -2.194 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.537 -3.738 4.083 1.00 0.00 H new ATOM 605 N THR A 38 -7.183 -1.411 5.122 1.00 0.00 N ATOM 606 CA THR A 38 -5.774 -1.212 5.415 1.00 0.00 C ATOM 607 C THR A 38 -5.641 -0.888 6.879 1.00 0.00 C ATOM 608 O THR A 38 -6.237 0.092 7.286 1.00 0.00 O ATOM 609 CB THR A 38 -5.147 -0.123 4.516 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.069 -0.647 3.178 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.742 0.260 5.056 1.00 0.00 C ATOM 0 H THR A 38 -7.806 -0.722 5.543 1.00 0.00 H new ATOM 0 HA THR A 38 -5.220 -2.124 5.195 1.00 0.00 H new ATOM 0 HB THR A 38 -5.755 0.782 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.675 0.027 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.304 1.028 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.835 0.642 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.100 -0.621 5.056 1.00 0.00 H new ATOM 619 N GLU A 39 -4.878 -1.680 7.665 1.00 0.00 N ATOM 620 CA GLU A 39 -4.656 -1.371 9.073 1.00 0.00 C ATOM 621 C GLU A 39 -3.181 -1.135 9.254 1.00 0.00 C ATOM 622 O GLU A 39 -2.414 -1.691 8.484 1.00 0.00 O ATOM 623 CB GLU A 39 -5.076 -2.568 9.967 1.00 0.00 C ATOM 624 CG GLU A 39 -6.593 -2.851 9.842 1.00 0.00 C ATOM 625 CD GLU A 39 -7.012 -4.079 10.609 1.00 0.00 C ATOM 626 OE1 GLU A 39 -6.527 -4.263 11.758 1.00 0.00 O ATOM 627 OE2 GLU A 39 -7.833 -4.872 10.072 1.00 0.00 O ATOM 0 H GLU A 39 -4.414 -2.529 7.341 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.245 -0.499 9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.512 -3.456 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.827 -2.355 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.152 -1.989 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.851 -2.977 8.791 1.00 0.00 H new ATOM 634 N VAL A 40 -2.770 -0.325 10.256 1.00 0.00 N ATOM 635 CA VAL A 40 -1.345 -0.095 10.474 1.00 0.00 C ATOM 636 C VAL A 40 -1.094 0.027 11.958 1.00 0.00 C ATOM 637 O VAL A 40 -1.968 0.525 12.650 1.00 0.00 O ATOM 638 CB VAL A 40 -0.869 1.209 9.768 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.672 1.373 9.864 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.294 1.232 8.276 1.00 0.00 C ATOM 0 H VAL A 40 -3.391 0.162 10.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.789 -0.934 10.055 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.348 2.040 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.972 2.293 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.968 1.419 10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.159 0.523 9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.946 2.155 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.854 0.379 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.380 1.178 8.206 1.00 0.00 H new ATOM 650 N GLN A 41 0.088 -0.401 12.456 1.00 0.00 N ATOM 651 CA GLN A 41 0.460 -0.096 13.835 1.00 0.00 C ATOM 652 C GLN A 41 1.960 0.076 13.832 1.00 0.00 C ATOM 653 O GLN A 41 2.664 -0.912 13.958 1.00 0.00 O ATOM 654 CB GLN A 41 -0.103 -1.136 14.839 1.00 0.00 C ATOM 655 CG GLN A 41 0.373 -0.840 16.288 1.00 0.00 C ATOM 656 CD GLN A 41 -0.198 -1.805 17.301 1.00 0.00 C ATOM 657 OE1 GLN A 41 -0.943 -2.701 16.936 1.00 0.00 O ATOM 658 NE2 GLN A 41 0.144 -1.639 18.597 1.00 0.00 N ATOM 0 H GLN A 41 0.776 -0.943 11.933 1.00 0.00 H new ATOM 0 HA GLN A 41 0.007 0.827 14.196 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.192 -1.126 14.803 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.216 -2.136 14.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.461 -0.884 16.324 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.086 0.176 16.559 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.769 -0.879 18.866 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.223 -2.273 19.307 1.00 0.00 H new ATOM 667 N GLN A 42 2.469 1.317 13.648 1.00 0.00 N ATOM 668 CA GLN A 42 3.911 1.481 13.496 1.00 0.00 C ATOM 669 C GLN A 42 4.585 1.203 14.816 1.00 0.00 C ATOM 670 O GLN A 42 3.902 1.159 15.827 1.00 0.00 O ATOM 671 CB GLN A 42 4.325 2.832 12.848 1.00 0.00 C ATOM 672 CG GLN A 42 4.213 4.042 13.813 1.00 0.00 C ATOM 673 CD GLN A 42 5.482 4.211 14.614 1.00 0.00 C ATOM 674 OE1 GLN A 42 5.491 3.902 15.795 1.00 0.00 O ATOM 675 NE2 GLN A 42 6.575 4.700 13.984 1.00 0.00 N ATOM 0 H GLN A 42 1.921 2.176 13.604 1.00 0.00 H new ATOM 0 HA GLN A 42 4.264 0.746 12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.352 2.755 12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.698 3.014 11.975 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.014 4.950 13.243 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.369 3.898 14.487 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.526 4.946 12.995 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.448 4.822 14.498 1.00 0.00 H new ATOM 684 N ASP A 43 5.919 0.991 14.816 1.00 0.00 N ATOM 685 CA ASP A 43 6.611 0.547 16.021 1.00 0.00 C ATOM 686 C ASP A 43 7.996 1.143 16.001 1.00 0.00 C ATOM 687 O ASP A 43 8.969 0.422 15.842 1.00 0.00 O ATOM 688 CB ASP A 43 6.620 -1.002 15.974 1.00 0.00 C ATOM 689 CG ASP A 43 7.303 -1.579 17.186 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.743 -1.435 18.307 1.00 0.00 O ATOM 691 OD2 ASP A 43 8.402 -2.179 17.032 1.00 0.00 O ATOM 0 H ASP A 43 6.521 1.121 14.003 1.00 0.00 H new ATOM 0 HA ASP A 43 6.132 0.866 16.947 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.597 -1.373 15.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.130 -1.338 15.071 1.00 0.00 H new ATOM 696 N GLY A 44 8.091 2.484 16.137 1.00 0.00 N ATOM 697 CA GLY A 44 9.390 3.121 15.986 1.00 0.00 C ATOM 698 C GLY A 44 9.869 2.912 14.570 1.00 0.00 C ATOM 699 O GLY A 44 9.056 2.792 13.667 1.00 0.00 O ATOM 0 H GLY A 44 7.313 3.111 16.342 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.317 4.186 16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.103 2.697 16.693 1.00 0.00 H new ATOM 703 N GLN A 45 11.204 2.870 14.385 1.00 0.00 N ATOM 704 CA GLN A 45 11.783 2.566 13.074 1.00 0.00 C ATOM 705 C GLN A 45 11.123 1.337 12.477 1.00 0.00 C ATOM 706 O GLN A 45 10.899 1.330 11.278 1.00 0.00 O ATOM 707 CB GLN A 45 13.315 2.329 13.246 1.00 0.00 C ATOM 708 CG GLN A 45 14.100 2.431 11.915 1.00 0.00 C ATOM 709 CD GLN A 45 15.538 1.979 12.041 1.00 0.00 C ATOM 710 OE1 GLN A 45 15.955 1.573 13.115 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.330 2.040 10.948 1.00 0.00 N ATOM 0 H GLN A 45 11.889 3.041 15.121 1.00 0.00 H new ATOM 0 HA GLN A 45 11.614 3.402 12.396 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.712 3.059 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.477 1.343 13.682 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.600 1.827 11.158 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.079 3.463 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.954 2.384 10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.304 1.742 11.007 1.00 0.00 H new ATOM 720 N ASP A 46 10.795 0.295 13.280 1.00 0.00 N ATOM 721 CA ASP A 46 10.102 -0.877 12.733 1.00 0.00 C ATOM 722 C ASP A 46 8.632 -0.583 12.521 1.00 0.00 C ATOM 723 O ASP A 46 8.124 0.307 13.182 1.00 0.00 O ATOM 724 CB ASP A 46 10.279 -2.125 13.631 1.00 0.00 C ATOM 725 CG ASP A 46 9.512 -3.305 13.089 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.986 -3.917 12.094 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.425 -3.624 13.646 1.00 0.00 O ATOM 0 H ASP A 46 10.996 0.249 14.279 1.00 0.00 H new ATOM 0 HA ASP A 46 10.558 -1.098 11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.337 -2.378 13.701 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.937 -1.900 14.641 1.00 0.00 H new ATOM 732 N PHE A 47 7.942 -1.312 11.606 1.00 0.00 N ATOM 733 CA PHE A 47 6.509 -1.112 11.373 1.00 0.00 C ATOM 734 C PHE A 47 5.799 -2.444 11.372 1.00 0.00 C ATOM 735 O PHE A 47 6.463 -3.461 11.250 1.00 0.00 O ATOM 736 CB PHE A 47 6.207 -0.437 10.006 1.00 0.00 C ATOM 737 CG PHE A 47 6.342 1.093 10.054 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.551 1.699 10.413 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.253 1.909 9.724 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.633 3.087 10.564 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.398 3.295 9.676 1.00 0.00 C ATOM 742 CZ PHE A 47 6.553 3.887 10.183 1.00 0.00 C ATOM 0 H PHE A 47 8.363 -2.038 11.026 1.00 0.00 H new ATOM 0 HA PHE A 47 6.161 -0.462 12.175 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.887 -0.834 9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.196 -0.698 9.692 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.428 1.090 10.575 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.295 1.462 9.505 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.526 3.537 10.973 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.618 3.907 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.613 4.961 10.281 1.00 0.00 H new ATOM 752 N THR A 48 4.447 -2.429 11.496 1.00 0.00 N ATOM 753 CA THR A 48 3.669 -3.664 11.457 1.00 0.00 C ATOM 754 C THR A 48 2.477 -3.362 10.567 1.00 0.00 C ATOM 755 O THR A 48 1.352 -3.283 11.033 1.00 0.00 O ATOM 756 CB THR A 48 3.314 -4.084 12.918 1.00 0.00 C ATOM 757 OG1 THR A 48 2.077 -3.514 13.359 1.00 0.00 O ATOM 758 CG2 THR A 48 4.408 -3.675 13.943 1.00 0.00 C ATOM 0 H THR A 48 3.893 -1.582 11.621 1.00 0.00 H new ATOM 0 HA THR A 48 4.199 -4.521 11.041 1.00 0.00 H new ATOM 0 HB THR A 48 3.235 -5.171 12.881 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.392 -3.646 12.671 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.108 -3.992 14.942 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.351 -4.153 13.679 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.533 -2.592 13.929 1.00 0.00 H new ATOM 766 N TRP A 49 2.712 -3.153 9.252 1.00 0.00 N ATOM 767 CA TRP A 49 1.611 -2.745 8.380 1.00 0.00 C ATOM 768 C TRP A 49 0.696 -3.921 8.200 1.00 0.00 C ATOM 769 O TRP A 49 1.143 -5.031 8.426 1.00 0.00 O ATOM 770 CB TRP A 49 2.094 -2.387 6.951 1.00 0.00 C ATOM 771 CG TRP A 49 1.274 -1.363 6.220 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.211 -1.503 5.407 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.603 0.104 6.282 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.090 -0.328 4.907 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.734 0.641 5.358 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.506 0.870 7.012 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.809 1.991 5.013 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.519 2.244 6.745 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.720 2.783 5.725 1.00 0.00 C ATOM 0 H TRP A 49 3.618 -3.257 8.795 1.00 0.00 H new ATOM 0 HA TRP A 49 1.138 -1.879 8.844 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.120 -2.025 7.015 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.115 -3.300 6.356 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.308 -2.428 5.201 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.857 -0.166 4.254 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.163 0.428 7.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.192 2.408 4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.151 2.896 7.330 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.809 3.832 5.483 1.00 0.00 H new ATOM 790 N SER A 50 -0.551 -3.710 7.738 1.00 0.00 N ATOM 791 CA SER A 50 -1.322 -4.842 7.243 1.00 0.00 C ATOM 792 C SER A 50 -2.385 -4.365 6.289 1.00 0.00 C ATOM 793 O SER A 50 -2.726 -3.193 6.324 1.00 0.00 O ATOM 794 CB SER A 50 -1.984 -5.689 8.354 1.00 0.00 C ATOM 795 OG SER A 50 -1.078 -6.006 9.421 1.00 0.00 O ATOM 0 H SER A 50 -1.021 -2.805 7.701 1.00 0.00 H new ATOM 0 HA SER A 50 -0.605 -5.490 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.839 -5.147 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.367 -6.613 7.921 1.00 0.00 H new ATOM 0 HG SER A 50 -0.161 -6.029 9.076 1.00 0.00 H new ATOM 801 N GLN A 51 -2.931 -5.267 5.446 1.00 0.00 N ATOM 802 CA GLN A 51 -4.070 -4.887 4.619 1.00 0.00 C ATOM 803 C GLN A 51 -4.884 -6.132 4.347 1.00 0.00 C ATOM 804 O GLN A 51 -4.268 -7.181 4.240 1.00 0.00 O ATOM 805 CB GLN A 51 -3.670 -4.050 3.376 1.00 0.00 C ATOM 806 CG GLN A 51 -2.323 -4.518 2.775 1.00 0.00 C ATOM 807 CD GLN A 51 -2.033 -3.736 1.514 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.142 -2.901 1.526 1.00 0.00 O ATOM 809 NE2 GLN A 51 -2.773 -3.981 0.410 1.00 0.00 N ATOM 0 H GLN A 51 -2.608 -6.227 5.329 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.714 -4.187 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.451 -4.127 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.598 -2.999 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.520 -4.373 3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.363 -5.584 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.510 -4.686 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.595 -3.461 -0.449 1.00 0.00 H new ATOM 818 N HIS A 52 -6.239 -6.056 4.290 1.00 0.00 N ATOM 819 CA HIS A 52 -7.055 -7.261 4.447 1.00 0.00 C ATOM 820 C HIS A 52 -8.085 -7.390 3.355 1.00 0.00 C ATOM 821 O HIS A 52 -8.629 -6.365 2.974 1.00 0.00 O ATOM 822 CB HIS A 52 -7.782 -7.258 5.818 1.00 0.00 C ATOM 823 CG HIS A 52 -6.886 -6.753 6.920 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.294 -7.523 7.804 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.575 -5.462 7.153 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.584 -6.797 8.608 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.699 -5.590 8.286 1.00 0.00 N ATOM 0 H HIS A 52 -6.765 -5.195 4.141 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.373 -8.109 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.673 -6.632 5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.117 -8.268 6.055 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.380 -8.538 7.850 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.897 -4.573 6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.987 -7.172 9.426 1.00 0.00 H new ATOM 835 N TYR A 53 -8.368 -8.618 2.850 1.00 0.00 N ATOM 836 CA TYR A 53 -9.323 -8.747 1.754 1.00 0.00 C ATOM 837 C TYR A 53 -9.799 -10.166 1.540 1.00 0.00 C ATOM 838 O TYR A 53 -9.277 -11.063 2.180 1.00 0.00 O ATOM 839 CB TYR A 53 -8.660 -8.183 0.470 1.00 0.00 C ATOM 840 CG TYR A 53 -7.254 -8.741 0.213 1.00 0.00 C ATOM 841 CD1 TYR A 53 -7.093 -9.944 -0.480 1.00 0.00 C ATOM 842 CD2 TYR A 53 -6.117 -8.042 0.634 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.821 -10.385 -0.855 1.00 0.00 C ATOM 844 CE2 TYR A 53 -4.848 -8.456 0.222 1.00 0.00 C ATOM 845 CZ TYR A 53 -4.692 -9.618 -0.540 1.00 0.00 C ATOM 846 OH TYR A 53 -3.417 -9.986 -0.979 1.00 0.00 O ATOM 0 H TYR A 53 -7.959 -9.493 3.178 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.218 -8.179 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.295 -8.409 -0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.603 -7.097 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.960 -10.538 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.221 -7.181 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.708 -11.318 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.980 -7.874 0.494 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.028 -10.629 -0.350 1.00 0.00 H new ATOM 856 N SER A 54 -10.797 -10.370 0.645 1.00 0.00 N ATOM 857 CA SER A 54 -11.250 -11.717 0.295 1.00 0.00 C ATOM 858 C SER A 54 -11.476 -12.600 1.500 1.00 0.00 C ATOM 859 O SER A 54 -11.074 -13.752 1.469 1.00 0.00 O ATOM 860 CB SER A 54 -10.265 -12.354 -0.718 1.00 0.00 C ATOM 861 OG SER A 54 -10.824 -13.576 -1.232 1.00 0.00 O ATOM 0 H SER A 54 -11.292 -9.620 0.163 1.00 0.00 H new ATOM 0 HA SER A 54 -12.229 -11.625 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.069 -11.660 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.309 -12.555 -0.234 1.00 0.00 H new ATOM 0 HG SER A 54 -11.078 -14.159 -0.486 1.00 0.00 H new ATOM 867 N GLY A 55 -12.133 -12.076 2.561 1.00 0.00 N ATOM 868 CA GLY A 55 -12.464 -12.913 3.712 1.00 0.00 C ATOM 869 C GLY A 55 -11.252 -13.635 4.253 1.00 0.00 C ATOM 870 O GLY A 55 -10.561 -13.068 5.085 1.00 0.00 O ATOM 0 H GLY A 55 -12.433 -11.104 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.898 -12.294 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.222 -13.642 3.425 1.00 0.00 H new ATOM 874 N GLY A 56 -10.970 -14.878 3.793 1.00 0.00 N ATOM 875 CA GLY A 56 -9.830 -15.627 4.316 1.00 0.00 C ATOM 876 C GLY A 56 -8.537 -15.198 3.663 1.00 0.00 C ATOM 877 O GLY A 56 -7.920 -16.001 2.981 1.00 0.00 O ATOM 0 H GLY A 56 -11.510 -15.364 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.761 -15.480 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.987 -16.693 4.149 1.00 0.00 H new ATOM 881 N HIS A 57 -8.100 -13.937 3.883 1.00 0.00 N ATOM 882 CA HIS A 57 -6.785 -13.512 3.410 1.00 0.00 C ATOM 883 C HIS A 57 -6.399 -12.229 4.112 1.00 0.00 C ATOM 884 O HIS A 57 -7.229 -11.335 4.159 1.00 0.00 O ATOM 885 CB HIS A 57 -6.699 -13.273 1.881 1.00 0.00 C ATOM 886 CG HIS A 57 -5.321 -12.749 1.565 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.323 -13.483 1.127 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.927 -11.468 1.705 1.00 0.00 C ATOM 889 CE1 HIS A 57 -3.275 -12.737 0.968 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.554 -11.558 1.290 1.00 0.00 N ATOM 0 H HIS A 57 -8.632 -13.219 4.374 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.105 -14.333 3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.887 -14.200 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.459 -12.559 1.564 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.366 -14.485 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.489 -10.608 2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.313 -13.077 0.614 1.00 0.00 H new ATOM 898 N THR A 58 -5.151 -12.116 4.627 1.00 0.00 N ATOM 899 CA THR A 58 -4.650 -10.828 5.097 1.00 0.00 C ATOM 900 C THR A 58 -3.245 -10.707 4.563 1.00 0.00 C ATOM 901 O THR A 58 -2.391 -11.428 5.055 1.00 0.00 O ATOM 902 CB THR A 58 -4.662 -10.696 6.644 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.012 -10.531 7.112 1.00 0.00 O ATOM 904 CG2 THR A 58 -3.835 -9.462 7.101 1.00 0.00 C ATOM 0 H THR A 58 -4.494 -12.891 4.721 1.00 0.00 H new ATOM 0 HA THR A 58 -5.298 -10.028 4.740 1.00 0.00 H new ATOM 0 HB THR A 58 -4.223 -11.603 7.059 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.635 -10.658 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.858 -9.391 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.803 -9.571 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.262 -8.557 6.669 1.00 0.00 H new ATOM 912 N MET A 59 -2.971 -9.820 3.581 1.00 0.00 N ATOM 913 CA MET A 59 -1.583 -9.618 3.183 1.00 0.00 C ATOM 914 C MET A 59 -0.987 -8.769 4.276 1.00 0.00 C ATOM 915 O MET A 59 -1.734 -7.988 4.845 1.00 0.00 O ATOM 916 CB MET A 59 -1.459 -8.869 1.832 1.00 0.00 C ATOM 917 CG MET A 59 -0.019 -8.945 1.268 1.00 0.00 C ATOM 918 SD MET A 59 0.247 -7.909 -0.202 1.00 0.00 S ATOM 919 CE MET A 59 0.058 -6.250 0.518 1.00 0.00 C ATOM 0 H MET A 59 -3.662 -9.263 3.078 1.00 0.00 H new ATOM 0 HA MET A 59 -1.080 -10.576 3.050 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.155 -9.299 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.743 -7.825 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.683 -8.643 2.046 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.209 -9.981 1.017 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.766 -5.732 0.027 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.153 -6.338 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.979 -5.684 0.376 1.00 0.00 H new ATOM 929 N THR A 60 0.324 -8.885 4.587 1.00 0.00 N ATOM 930 CA THR A 60 0.910 -8.028 5.611 1.00 0.00 C ATOM 931 C THR A 60 2.291 -7.578 5.199 1.00 0.00 C ATOM 932 O THR A 60 2.989 -8.356 4.570 1.00 0.00 O ATOM 933 CB THR A 60 0.853 -8.728 6.993 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.433 -8.477 7.588 1.00 0.00 O ATOM 935 CG2 THR A 60 2.005 -8.308 7.946 1.00 0.00 C ATOM 0 H THR A 60 0.969 -9.545 4.153 1.00 0.00 H new ATOM 0 HA THR A 60 0.324 -7.115 5.714 1.00 0.00 H new ATOM 0 HB THR A 60 0.990 -9.797 6.831 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.078 -8.246 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.903 -8.836 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.963 -8.560 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.958 -7.233 8.122 1.00 0.00 H new ATOM 943 N ASN A 61 2.673 -6.323 5.544 1.00 0.00 N ATOM 944 CA ASN A 61 3.930 -5.747 5.077 1.00 0.00 C ATOM 945 C ASN A 61 4.634 -5.131 6.267 1.00 0.00 C ATOM 946 O ASN A 61 4.683 -3.918 6.389 1.00 0.00 O ATOM 947 CB ASN A 61 3.630 -4.731 3.937 1.00 0.00 C ATOM 948 CG ASN A 61 3.283 -5.402 2.626 1.00 0.00 C ATOM 949 OD1 ASN A 61 2.835 -6.536 2.632 1.00 0.00 O ATOM 950 ND2 ASN A 61 3.472 -4.726 1.471 1.00 0.00 N ATOM 0 H ASN A 61 2.123 -5.705 6.141 1.00 0.00 H new ATOM 0 HA ASN A 61 4.596 -6.499 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.804 -4.087 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.499 -4.089 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.238 -5.164 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.848 -3.778 1.491 1.00 0.00 H new ATOM 957 N LYS A 62 5.208 -5.966 7.164 1.00 0.00 N ATOM 958 CA LYS A 62 6.065 -5.413 8.213 1.00 0.00 C ATOM 959 C LYS A 62 7.317 -4.889 7.553 1.00 0.00 C ATOM 960 O LYS A 62 7.690 -5.433 6.525 1.00 0.00 O ATOM 961 CB LYS A 62 6.437 -6.418 9.338 1.00 0.00 C ATOM 962 CG LYS A 62 7.405 -7.540 8.868 1.00 0.00 C ATOM 963 CD LYS A 62 7.705 -8.544 10.014 1.00 0.00 C ATOM 964 CE LYS A 62 8.688 -9.655 9.552 1.00 0.00 C ATOM 965 NZ LYS A 62 8.976 -10.614 10.643 1.00 0.00 N ATOM 0 H LYS A 62 5.095 -6.980 7.178 1.00 0.00 H new ATOM 0 HA LYS A 62 5.503 -4.625 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.896 -5.874 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.525 -6.873 9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.967 -8.070 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.337 -7.096 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.130 -8.011 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.775 -8.998 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.263 -10.187 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.618 -9.200 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.635 -11.342 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.404 -10.109 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.091 -11.066 10.951 1.00 0.00 H new ATOM 979 N PHE A 63 7.981 -3.857 8.122 1.00 0.00 N ATOM 980 CA PHE A 63 9.227 -3.370 7.529 1.00 0.00 C ATOM 981 C PHE A 63 9.967 -2.462 8.480 1.00 0.00 C ATOM 982 O PHE A 63 9.376 -2.078 9.475 1.00 0.00 O ATOM 983 CB PHE A 63 8.973 -2.645 6.180 1.00 0.00 C ATOM 984 CG PHE A 63 7.959 -1.495 6.309 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.286 -0.308 6.973 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.687 -1.635 5.742 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.323 0.692 7.136 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.720 -0.642 5.911 1.00 0.00 C ATOM 989 CZ PHE A 63 6.029 0.505 6.645 1.00 0.00 C ATOM 0 H PHE A 63 7.680 -3.365 8.963 1.00 0.00 H new ATOM 0 HA PHE A 63 9.849 -4.243 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.916 -2.252 5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.609 -3.365 5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.284 -0.164 7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.451 -2.519 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.580 1.611 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.738 -0.760 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.267 1.247 6.833 1.00 0.00 H new ATOM 999 N THR A 64 11.242 -2.109 8.184 1.00 0.00 N ATOM 1000 CA THR A 64 11.991 -1.188 9.036 1.00 0.00 C ATOM 1001 C THR A 64 12.505 -0.068 8.159 1.00 0.00 C ATOM 1002 O THR A 64 13.037 -0.366 7.101 1.00 0.00 O ATOM 1003 CB THR A 64 13.038 -1.984 9.852 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.330 -3.000 10.585 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.822 -1.071 10.831 1.00 0.00 C ATOM 0 H THR A 64 11.756 -2.449 7.371 1.00 0.00 H new ATOM 0 HA THR A 64 11.385 -0.702 9.801 1.00 0.00 H new ATOM 0 HB THR A 64 13.771 -2.422 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.966 -3.525 11.114 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.547 -1.668 11.384 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.344 -0.297 10.268 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.127 -0.605 11.529 1.00 0.00 H new ATOM 1013 N VAL A 65 12.313 1.215 8.558 1.00 0.00 N ATOM 1014 CA VAL A 65 12.567 2.330 7.658 1.00 0.00 C ATOM 1015 C VAL A 65 14.008 2.738 7.833 1.00 0.00 C ATOM 1016 O VAL A 65 14.497 2.675 8.948 1.00 0.00 O ATOM 1017 CB VAL A 65 11.573 3.509 7.892 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.151 3.007 8.237 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.055 4.525 8.952 1.00 0.00 C ATOM 0 H VAL A 65 11.988 1.484 9.487 1.00 0.00 H new ATOM 0 HA VAL A 65 12.399 2.026 6.625 1.00 0.00 H new ATOM 0 HB VAL A 65 11.535 4.039 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.491 3.861 8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.771 2.399 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.188 2.407 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.313 5.316 9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.188 4.018 9.908 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.004 4.958 8.636 1.00 0.00 H new ATOM 1029 N GLY A 66 14.722 3.140 6.761 1.00 0.00 N ATOM 1030 CA GLY A 66 16.140 3.431 6.901 1.00 0.00 C ATOM 1031 C GLY A 66 16.898 2.151 7.152 1.00 0.00 C ATOM 1032 O GLY A 66 18.015 2.247 7.638 1.00 0.00 O ATOM 0 H GLY A 66 14.343 3.264 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.513 3.915 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.299 4.127 7.725 1.00 0.00 H new ATOM 1036 N LYS A 67 16.327 0.962 6.828 1.00 0.00 N ATOM 1037 CA LYS A 67 17.031 -0.295 7.057 1.00 0.00 C ATOM 1038 C LYS A 67 16.835 -1.210 5.864 1.00 0.00 C ATOM 1039 O LYS A 67 17.798 -1.379 5.133 1.00 0.00 O ATOM 1040 CB LYS A 67 16.505 -0.872 8.400 1.00 0.00 C ATOM 1041 CG LYS A 67 17.077 -2.269 8.773 1.00 0.00 C ATOM 1042 CD LYS A 67 18.609 -2.256 9.027 1.00 0.00 C ATOM 1043 CE LYS A 67 19.166 -3.640 9.471 1.00 0.00 C ATOM 1044 NZ LYS A 67 18.654 -4.100 10.784 1.00 0.00 N ATOM 0 H LYS A 67 15.399 0.863 6.416 1.00 0.00 H new ATOM 0 HA LYS A 67 18.110 -0.166 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.744 -0.171 9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.418 -0.940 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.570 -2.635 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.855 -2.972 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.119 -1.941 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.838 -1.516 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.914 -4.382 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.254 -3.586 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.081 -5.018 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.902 -3.404 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.620 -4.201 10.737 1.00 0.00 H new ATOM 1058 N GLU A 68 15.617 -1.775 5.670 1.00 0.00 N ATOM 1059 CA GLU A 68 15.281 -2.675 4.566 1.00 0.00 C ATOM 1060 C GLU A 68 14.740 -3.949 5.163 1.00 0.00 C ATOM 1061 O GLU A 68 15.147 -4.298 6.260 1.00 0.00 O ATOM 1062 CB GLU A 68 16.336 -3.055 3.487 1.00 0.00 C ATOM 1063 CG GLU A 68 17.357 -4.101 4.011 1.00 0.00 C ATOM 1064 CD GLU A 68 18.468 -4.300 3.011 1.00 0.00 C ATOM 1065 OE1 GLU A 68 18.158 -4.646 1.839 1.00 0.00 O ATOM 1066 OE2 GLU A 68 19.658 -4.111 3.385 1.00 0.00 O ATOM 0 H GLU A 68 14.831 -1.606 6.298 1.00 0.00 H new ATOM 0 HA GLU A 68 14.583 -2.072 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.828 -3.453 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.868 -2.158 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.771 -3.769 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.853 -5.049 4.197 1.00 0.00 H new ATOM 1073 N SER A 69 13.839 -4.651 4.442 1.00 0.00 N ATOM 1074 CA SER A 69 13.303 -5.908 4.952 1.00 0.00 C ATOM 1075 C SER A 69 12.622 -6.639 3.823 1.00 0.00 C ATOM 1076 O SER A 69 12.277 -5.985 2.850 1.00 0.00 O ATOM 1077 CB SER A 69 12.251 -5.647 6.060 1.00 0.00 C ATOM 1078 OG SER A 69 12.880 -5.075 7.219 1.00 0.00 O ATOM 0 H SER A 69 13.482 -4.369 3.529 1.00 0.00 H new ATOM 0 HA SER A 69 14.124 -6.495 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.479 -4.974 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.757 -6.581 6.329 1.00 0.00 H new ATOM 0 HG SER A 69 13.852 -5.077 7.098 1.00 0.00 H new ATOM 1084 N ASN A 70 12.413 -7.972 3.934 1.00 0.00 N ATOM 1085 CA ASN A 70 11.654 -8.649 2.893 1.00 0.00 C ATOM 1086 C ASN A 70 10.238 -8.125 2.990 1.00 0.00 C ATOM 1087 O ASN A 70 9.732 -8.087 4.101 1.00 0.00 O ATOM 1088 CB ASN A 70 11.638 -10.190 2.996 1.00 0.00 C ATOM 1089 CG ASN A 70 13.031 -10.761 2.886 1.00 0.00 C ATOM 1090 OD1 ASN A 70 13.616 -11.093 3.905 1.00 0.00 O ATOM 1091 ND2 ASN A 70 13.592 -10.880 1.662 1.00 0.00 N ATOM 0 H ASN A 70 12.745 -8.562 4.697 1.00 0.00 H new ATOM 0 HA ASN A 70 12.134 -8.439 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.194 -10.489 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.010 -10.603 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.535 -11.258 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.073 -10.592 0.833 1.00 0.00 H new ATOM 1098 N ILE A 71 9.593 -7.715 1.872 1.00 0.00 N ATOM 1099 CA ILE A 71 8.218 -7.216 1.917 1.00 0.00 C ATOM 1100 C ILE A 71 7.442 -7.939 0.847 1.00 0.00 C ATOM 1101 O ILE A 71 7.960 -8.031 -0.255 1.00 0.00 O ATOM 1102 CB ILE A 71 8.170 -5.685 1.650 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.871 -4.943 2.820 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.707 -5.193 1.456 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.996 -3.418 2.582 1.00 0.00 C ATOM 0 H ILE A 71 10.008 -7.724 0.940 1.00 0.00 H new ATOM 0 HA ILE A 71 7.792 -7.393 2.905 1.00 0.00 H new ATOM 0 HB ILE A 71 8.700 -5.465 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.312 -5.117 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.865 -5.365 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.706 -4.119 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.260 -5.708 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.129 -5.407 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.494 -2.956 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.579 -3.237 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.002 -2.985 2.464 1.00 0.00 H new ATOM 1117 N GLN A 72 6.219 -8.437 1.145 1.00 0.00 N ATOM 1118 CA GLN A 72 5.436 -9.126 0.123 1.00 0.00 C ATOM 1119 C GLN A 72 4.665 -8.031 -0.579 1.00 0.00 C ATOM 1120 O GLN A 72 3.980 -7.285 0.102 1.00 0.00 O ATOM 1121 CB GLN A 72 4.602 -10.296 0.714 1.00 0.00 C ATOM 1122 CG GLN A 72 3.302 -9.833 1.411 1.00 0.00 C ATOM 1123 CD GLN A 72 2.719 -10.968 2.222 1.00 0.00 C ATOM 1124 OE1 GLN A 72 1.889 -11.702 1.709 1.00 0.00 O ATOM 1125 NE2 GLN A 72 3.147 -11.146 3.492 1.00 0.00 N ATOM 0 H GLN A 72 5.773 -8.372 2.060 1.00 0.00 H new ATOM 0 HA GLN A 72 6.044 -9.654 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.349 -10.992 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.215 -10.843 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.510 -8.981 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.580 -9.498 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.842 -10.514 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.775 -11.913 4.053 1.00 0.00 H new ATOM 1134 N THR A 73 4.798 -7.877 -1.917 1.00 0.00 N ATOM 1135 CA THR A 73 4.279 -6.682 -2.582 1.00 0.00 C ATOM 1136 C THR A 73 2.903 -6.880 -3.159 1.00 0.00 C ATOM 1137 O THR A 73 2.423 -8.001 -3.207 1.00 0.00 O ATOM 1138 CB THR A 73 5.254 -6.259 -3.714 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.678 -7.418 -4.448 1.00 0.00 O ATOM 1140 CG2 THR A 73 6.483 -5.549 -3.097 1.00 0.00 C ATOM 0 H THR A 73 5.249 -8.552 -2.535 1.00 0.00 H new ATOM 0 HA THR A 73 4.200 -5.903 -1.824 1.00 0.00 H new ATOM 0 HB THR A 73 4.746 -5.575 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.650 -7.389 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.168 -5.252 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.156 -4.665 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.992 -6.230 -2.415 1.00 0.00 H new ATOM 1148 N MET A 74 2.287 -5.766 -3.626 1.00 0.00 N ATOM 1149 CA MET A 74 1.031 -5.843 -4.369 1.00 0.00 C ATOM 1150 C MET A 74 1.403 -5.998 -5.829 1.00 0.00 C ATOM 1151 O MET A 74 0.985 -5.179 -6.632 1.00 0.00 O ATOM 1152 CB MET A 74 0.240 -4.523 -4.117 1.00 0.00 C ATOM 1153 CG MET A 74 -1.232 -4.583 -4.624 1.00 0.00 C ATOM 1154 SD MET A 74 -2.450 -4.707 -3.266 1.00 0.00 S ATOM 1155 CE MET A 74 -2.117 -6.358 -2.584 1.00 0.00 C ATOM 0 H MET A 74 2.644 -4.819 -3.497 1.00 0.00 H new ATOM 0 HA MET A 74 0.404 -6.679 -4.061 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.241 -4.305 -3.049 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.754 -3.699 -4.611 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.444 -3.692 -5.215 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.347 -5.440 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.731 -6.516 -1.698 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.356 -7.115 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.064 -6.434 -2.314 1.00 0.00 H new ATOM 1165 N GLY A 75 2.209 -7.022 -6.202 1.00 0.00 N ATOM 1166 CA GLY A 75 2.784 -7.040 -7.544 1.00 0.00 C ATOM 1167 C GLY A 75 3.287 -8.407 -7.948 1.00 0.00 C ATOM 1168 O GLY A 75 2.534 -9.358 -7.807 1.00 0.00 O ATOM 0 H GLY A 75 2.461 -7.813 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.033 -6.708 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.607 -6.327 -7.591 1.00 0.00 H new ATOM 1172 N GLY A 76 4.529 -8.531 -8.474 1.00 0.00 N ATOM 1173 CA GLY A 76 4.972 -9.817 -9.006 1.00 0.00 C ATOM 1174 C GLY A 76 5.336 -10.779 -7.904 1.00 0.00 C ATOM 1175 O GLY A 76 4.889 -11.915 -7.939 1.00 0.00 O ATOM 0 H GLY A 76 5.213 -7.777 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.182 -10.249 -9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.834 -9.665 -9.656 1.00 0.00 H new ATOM 1179 N LYS A 77 6.170 -10.342 -6.933 1.00 0.00 N ATOM 1180 CA LYS A 77 6.702 -11.278 -5.942 1.00 0.00 C ATOM 1181 C LYS A 77 7.298 -10.539 -4.768 1.00 0.00 C ATOM 1182 O LYS A 77 7.398 -9.327 -4.845 1.00 0.00 O ATOM 1183 CB LYS A 77 7.787 -12.162 -6.619 1.00 0.00 C ATOM 1184 CG LYS A 77 8.977 -11.327 -7.158 1.00 0.00 C ATOM 1185 CD LYS A 77 10.125 -12.192 -7.753 1.00 0.00 C ATOM 1186 CE LYS A 77 9.718 -13.079 -8.964 1.00 0.00 C ATOM 1187 NZ LYS A 77 9.113 -12.311 -10.078 1.00 0.00 N ATOM 0 H LYS A 77 6.476 -9.375 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 77 5.890 -11.902 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.156 -12.894 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.337 -12.720 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.613 -10.644 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.376 -10.715 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.935 -11.531 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.520 -12.835 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.599 -13.606 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.010 -13.837 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.865 -12.960 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.255 -11.829 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.794 -11.605 -10.423 1.00 0.00 H new ATOM 1201 N THR A 78 7.706 -11.227 -3.678 1.00 0.00 N ATOM 1202 CA THR A 78 8.312 -10.507 -2.558 1.00 0.00 C ATOM 1203 C THR A 78 9.670 -9.982 -2.955 1.00 0.00 C ATOM 1204 O THR A 78 10.282 -10.549 -3.846 1.00 0.00 O ATOM 1205 CB THR A 78 8.417 -11.387 -1.275 1.00 0.00 C ATOM 1206 OG1 THR A 78 8.574 -10.621 -0.068 1.00 0.00 O ATOM 1207 CG2 THR A 78 9.557 -12.436 -1.367 1.00 0.00 C ATOM 0 H THR A 78 7.628 -12.237 -3.559 1.00 0.00 H new ATOM 0 HA THR A 78 7.658 -9.669 -2.315 1.00 0.00 H new ATOM 0 HB THR A 78 7.460 -11.906 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.691 -9.675 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.587 -13.022 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.375 -13.098 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.511 -11.926 -1.503 1.00 0.00 H new ATOM 1215 N PHE A 79 10.156 -8.912 -2.286 1.00 0.00 N ATOM 1216 CA PHE A 79 11.523 -8.444 -2.510 1.00 0.00 C ATOM 1217 C PHE A 79 12.053 -7.840 -1.233 1.00 0.00 C ATOM 1218 O PHE A 79 11.257 -7.614 -0.338 1.00 0.00 O ATOM 1219 CB PHE A 79 11.622 -7.346 -3.597 1.00 0.00 C ATOM 1220 CG PHE A 79 10.660 -7.585 -4.765 1.00 0.00 C ATOM 1221 CD1 PHE A 79 9.360 -7.078 -4.706 1.00 0.00 C ATOM 1222 CD2 PHE A 79 11.073 -8.282 -5.905 1.00 0.00 C ATOM 1223 CE1 PHE A 79 8.531 -7.118 -5.830 1.00 0.00 C ATOM 1224 CE2 PHE A 79 10.228 -8.368 -7.015 1.00 0.00 C ATOM 1225 CZ PHE A 79 8.944 -7.817 -6.963 1.00 0.00 C ATOM 0 H PHE A 79 9.626 -8.372 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 79 12.095 -9.312 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.409 -6.376 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 79 12.644 -7.305 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.993 -6.652 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 79 12.044 -8.754 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.577 -6.611 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.567 -8.861 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.272 -7.933 -7.801 1.00 0.00 H new ATOM 1235 N LYS A 80 13.371 -7.552 -1.150 1.00 0.00 N ATOM 1236 CA LYS A 80 13.922 -6.894 0.031 1.00 0.00 C ATOM 1237 C LYS A 80 14.096 -5.435 -0.321 1.00 0.00 C ATOM 1238 O LYS A 80 15.187 -5.028 -0.688 1.00 0.00 O ATOM 1239 CB LYS A 80 15.185 -7.651 0.510 1.00 0.00 C ATOM 1240 CG LYS A 80 15.690 -7.139 1.887 1.00 0.00 C ATOM 1241 CD LYS A 80 17.101 -7.686 2.252 1.00 0.00 C ATOM 1242 CE LYS A 80 17.174 -9.226 2.468 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.399 -9.689 3.643 1.00 0.00 N ATOM 0 H LYS A 80 14.053 -7.764 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 80 13.265 -6.925 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.964 -8.716 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.977 -7.538 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.719 -6.049 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.980 -7.431 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.797 -7.412 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.442 -7.190 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.803 -9.729 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.216 -9.520 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.016 -10.246 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.031 -8.866 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.605 -10.280 3.324 1.00 0.00 H new ATOM 1257 N ALA A 81 13.001 -4.642 -0.223 1.00 0.00 N ATOM 1258 CA ALA A 81 13.057 -3.235 -0.627 1.00 0.00 C ATOM 1259 C ALA A 81 13.579 -2.395 0.509 1.00 0.00 C ATOM 1260 O ALA A 81 13.559 -2.886 1.626 1.00 0.00 O ATOM 1261 CB ALA A 81 11.651 -2.707 -0.977 1.00 0.00 C ATOM 0 H ALA A 81 12.094 -4.952 0.125 1.00 0.00 H new ATOM 0 HA ALA A 81 13.711 -3.170 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.719 -1.660 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.237 -3.291 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.002 -2.796 -0.106 1.00 0.00 H new ATOM 1267 N THR A 82 14.022 -1.140 0.241 1.00 0.00 N ATOM 1268 CA THR A 82 14.505 -0.279 1.321 1.00 0.00 C ATOM 1269 C THR A 82 13.439 0.737 1.654 1.00 0.00 C ATOM 1270 O THR A 82 13.264 1.658 0.872 1.00 0.00 O ATOM 1271 CB THR A 82 15.858 0.387 0.958 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.769 -0.665 0.592 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.422 1.193 2.163 1.00 0.00 C ATOM 0 H THR A 82 14.050 -0.722 -0.689 1.00 0.00 H new ATOM 0 HA THR A 82 14.698 -0.884 2.207 1.00 0.00 H new ATOM 0 HB THR A 82 15.723 1.088 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.637 -0.278 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.371 1.650 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.713 1.972 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.578 0.523 3.008 1.00 0.00 H new ATOM 1281 N VAL A 83 12.723 0.596 2.798 1.00 0.00 N ATOM 1282 CA VAL A 83 11.722 1.594 3.166 1.00 0.00 C ATOM 1283 C VAL A 83 12.445 2.753 3.808 1.00 0.00 C ATOM 1284 O VAL A 83 13.478 2.506 4.407 1.00 0.00 O ATOM 1285 CB VAL A 83 10.623 1.032 4.115 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.610 2.126 4.562 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.858 -0.115 3.407 1.00 0.00 C ATOM 0 H VAL A 83 12.824 -0.178 3.455 1.00 0.00 H new ATOM 0 HA VAL A 83 11.195 1.912 2.266 1.00 0.00 H new ATOM 0 HB VAL A 83 11.126 0.661 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.864 1.683 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.140 2.918 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.116 2.544 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.090 -0.506 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.391 0.266 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.555 -0.913 3.150 1.00 0.00 H new ATOM 1297 N GLN A 84 11.929 4.000 3.695 1.00 0.00 N ATOM 1298 CA GLN A 84 12.527 5.153 4.369 1.00 0.00 C ATOM 1299 C GLN A 84 11.406 6.077 4.791 1.00 0.00 C ATOM 1300 O GLN A 84 10.253 5.728 4.591 1.00 0.00 O ATOM 1301 CB GLN A 84 13.596 5.850 3.473 1.00 0.00 C ATOM 1302 CG GLN A 84 14.606 4.849 2.864 1.00 0.00 C ATOM 1303 CD GLN A 84 15.611 5.556 1.985 1.00 0.00 C ATOM 1304 OE1 GLN A 84 16.755 5.701 2.386 1.00 0.00 O ATOM 1305 NE2 GLN A 84 15.206 6.010 0.777 1.00 0.00 N ATOM 0 H GLN A 84 11.101 4.222 3.142 1.00 0.00 H new ATOM 0 HA GLN A 84 13.072 4.836 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.095 6.389 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.135 6.589 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.126 4.321 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.072 4.099 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.241 5.870 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.865 6.493 0.166 1.00 0.00 H new ATOM 1314 N MET A 85 11.740 7.239 5.395 1.00 0.00 N ATOM 1315 CA MET A 85 10.732 8.129 5.973 1.00 0.00 C ATOM 1316 C MET A 85 11.104 9.563 5.660 1.00 0.00 C ATOM 1317 O MET A 85 12.294 9.819 5.571 1.00 0.00 O ATOM 1318 CB MET A 85 10.674 7.930 7.503 1.00 0.00 C ATOM 1319 CG MET A 85 9.468 8.675 8.130 1.00 0.00 C ATOM 1320 SD MET A 85 9.453 8.412 9.925 1.00 0.00 S ATOM 1321 CE MET A 85 8.398 6.940 9.924 1.00 0.00 C ATOM 0 H MET A 85 12.699 7.574 5.490 1.00 0.00 H new ATOM 0 HA MET A 85 9.754 7.900 5.549 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.603 6.866 7.730 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.599 8.291 7.953 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.532 9.741 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.537 8.314 7.692 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.251 6.597 10.948 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.432 7.185 9.481 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.875 6.151 9.342 1.00 0.00 H new ATOM 1331 N GLU A 86 10.140 10.501 5.497 1.00 0.00 N ATOM 1332 CA GLU A 86 10.484 11.893 5.192 1.00 0.00 C ATOM 1333 C GLU A 86 9.565 12.840 5.938 1.00 0.00 C ATOM 1334 O GLU A 86 8.845 13.603 5.315 1.00 0.00 O ATOM 1335 CB GLU A 86 10.427 12.123 3.656 1.00 0.00 C ATOM 1336 CG GLU A 86 11.583 11.412 2.908 1.00 0.00 C ATOM 1337 CD GLU A 86 11.458 11.609 1.416 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.345 11.375 0.871 1.00 0.00 O ATOM 1339 OE2 GLU A 86 12.471 11.999 0.773 1.00 0.00 O ATOM 0 H GLU A 86 9.140 10.316 5.572 1.00 0.00 H new ATOM 0 HA GLU A 86 11.501 12.098 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.473 11.761 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.468 13.193 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.540 11.804 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.572 10.347 3.141 1.00 0.00 H new ATOM 1346 N GLY A 87 9.596 12.822 7.291 1.00 0.00 N ATOM 1347 CA GLY A 87 8.812 13.794 8.051 1.00 0.00 C ATOM 1348 C GLY A 87 7.332 13.584 7.834 1.00 0.00 C ATOM 1349 O GLY A 87 6.743 14.292 7.033 1.00 0.00 O ATOM 0 H GLY A 87 10.138 12.166 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.044 13.704 9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.088 14.805 7.749 1.00 0.00 H new ATOM 1353 N GLY A 88 6.712 12.608 8.536 1.00 0.00 N ATOM 1354 CA GLY A 88 5.283 12.372 8.347 1.00 0.00 C ATOM 1355 C GLY A 88 5.028 11.880 6.945 1.00 0.00 C ATOM 1356 O GLY A 88 4.019 12.241 6.360 1.00 0.00 O ATOM 0 H GLY A 88 7.168 11.996 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.927 11.638 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.726 13.292 8.526 1.00 0.00 H new ATOM 1360 N LYS A 89 5.941 11.041 6.405 1.00 0.00 N ATOM 1361 CA LYS A 89 5.768 10.520 5.052 1.00 0.00 C ATOM 1362 C LYS A 89 6.582 9.257 4.929 1.00 0.00 C ATOM 1363 O LYS A 89 7.588 9.187 5.612 1.00 0.00 O ATOM 1364 CB LYS A 89 6.214 11.576 4.007 1.00 0.00 C ATOM 1365 CG LYS A 89 6.238 11.006 2.563 1.00 0.00 C ATOM 1366 CD LYS A 89 6.613 12.082 1.509 1.00 0.00 C ATOM 1367 CE LYS A 89 6.624 11.481 0.077 1.00 0.00 C ATOM 1368 NZ LYS A 89 7.019 12.486 -0.936 1.00 0.00 N ATOM 0 H LYS A 89 6.784 10.722 6.882 1.00 0.00 H new ATOM 0 HA LYS A 89 4.718 10.298 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.538 12.430 4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.207 11.943 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.953 10.185 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.259 10.591 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.900 12.905 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.594 12.496 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.314 10.638 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.634 11.093 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.015 12.048 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.346 13.279 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.974 12.838 -0.722 1.00 0.00 H new ATOM 1382 N LEU A 90 6.180 8.274 4.092 1.00 0.00 N ATOM 1383 CA LEU A 90 6.914 7.014 3.990 1.00 0.00 C ATOM 1384 C LEU A 90 7.386 6.829 2.571 1.00 0.00 C ATOM 1385 O LEU A 90 6.812 7.433 1.680 1.00 0.00 O ATOM 1386 CB LEU A 90 6.031 5.834 4.458 1.00 0.00 C ATOM 1387 CG LEU A 90 6.626 4.915 5.567 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.247 5.639 6.794 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.474 4.017 6.073 1.00 0.00 C ATOM 0 H LEU A 90 5.360 8.337 3.488 1.00 0.00 H new ATOM 0 HA LEU A 90 7.786 7.041 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.086 6.238 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.801 5.216 3.590 1.00 0.00 H new ATOM 0 HG LEU A 90 7.453 4.375 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.628 4.900 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.064 6.280 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.485 6.246 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.846 3.354 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.676 4.641 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.086 3.422 5.246 1.00 0.00 H new ATOM 1401 N VAL A 91 8.436 5.997 2.374 1.00 0.00 N ATOM 1402 CA VAL A 91 9.065 5.881 1.065 1.00 0.00 C ATOM 1403 C VAL A 91 9.479 4.452 0.849 1.00 0.00 C ATOM 1404 O VAL A 91 9.941 3.877 1.815 1.00 0.00 O ATOM 1405 CB VAL A 91 10.344 6.758 1.032 1.00 0.00 C ATOM 1406 CG1 VAL A 91 10.987 6.794 -0.381 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.096 8.192 1.571 1.00 0.00 C ATOM 0 H VAL A 91 8.849 5.411 3.100 1.00 0.00 H new ATOM 0 HA VAL A 91 8.363 6.202 0.295 1.00 0.00 H new ATOM 0 HB VAL A 91 11.055 6.282 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.880 7.419 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.260 5.783 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.274 7.205 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.023 8.763 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.337 8.683 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.753 8.138 2.604 1.00 0.00 H new ATOM 1417 N VAL A 92 9.362 3.868 -0.362 1.00 0.00 N ATOM 1418 CA VAL A 92 9.904 2.534 -0.587 1.00 0.00 C ATOM 1419 C VAL A 92 10.194 2.329 -2.054 1.00 0.00 C ATOM 1420 O VAL A 92 9.608 3.018 -2.875 1.00 0.00 O ATOM 1421 CB VAL A 92 8.933 1.465 -0.016 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.572 1.495 -0.741 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.506 0.024 -0.079 1.00 0.00 C ATOM 0 H VAL A 92 8.909 4.293 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 92 10.851 2.427 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 92 8.799 1.729 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.917 0.734 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.116 2.477 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.721 1.295 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.779 -0.675 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.713 -0.240 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.428 -0.026 0.500 1.00 0.00 H new ATOM 1433 N ASN A 93 11.107 1.387 -2.379 1.00 0.00 N ATOM 1434 CA ASN A 93 11.467 1.132 -3.767 1.00 0.00 C ATOM 1435 C ASN A 93 11.858 -0.326 -3.903 1.00 0.00 C ATOM 1436 O ASN A 93 12.776 -0.734 -3.206 1.00 0.00 O ATOM 1437 CB ASN A 93 12.603 2.087 -4.205 1.00 0.00 C ATOM 1438 CG ASN A 93 13.776 2.011 -3.256 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.740 1.326 -3.562 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.723 2.701 -2.094 1.00 0.00 N ATOM 0 H ASN A 93 11.596 0.804 -1.699 1.00 0.00 H new ATOM 0 HA ASN A 93 10.621 1.325 -4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.930 1.830 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.228 3.110 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.505 2.659 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.901 3.263 -1.872 1.00 0.00 H new ATOM 1447 N PHE A 94 11.167 -1.102 -4.775 1.00 0.00 N ATOM 1448 CA PHE A 94 11.425 -2.535 -4.920 1.00 0.00 C ATOM 1449 C PHE A 94 12.011 -2.709 -6.308 1.00 0.00 C ATOM 1450 O PHE A 94 11.725 -1.844 -7.121 1.00 0.00 O ATOM 1451 CB PHE A 94 10.079 -3.330 -4.906 1.00 0.00 C ATOM 1452 CG PHE A 94 9.089 -2.912 -3.807 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.267 -1.787 -3.960 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.980 -3.664 -2.633 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.409 -1.376 -2.935 1.00 0.00 C ATOM 1456 CE2 PHE A 94 8.179 -3.216 -1.583 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.387 -2.079 -1.729 1.00 0.00 C ATOM 0 H PHE A 94 10.429 -0.748 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 94 12.072 -2.889 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.594 -3.211 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.302 -4.391 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.297 -1.229 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.518 -4.596 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.767 -0.519 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.173 -3.756 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.761 -1.744 -0.915 1.00 0.00 H new ATOM 1467 N PRO A 95 12.782 -3.764 -6.672 1.00 0.00 N ATOM 1468 CA PRO A 95 13.141 -3.959 -8.072 1.00 0.00 C ATOM 1469 C PRO A 95 11.901 -4.435 -8.804 1.00 0.00 C ATOM 1470 O PRO A 95 11.804 -5.610 -9.120 1.00 0.00 O ATOM 1471 CB PRO A 95 14.238 -5.042 -7.907 1.00 0.00 C ATOM 1472 CG PRO A 95 13.777 -5.841 -6.667 1.00 0.00 C ATOM 1473 CD PRO A 95 13.266 -4.740 -5.709 1.00 0.00 C ATOM 0 HA PRO A 95 13.490 -3.099 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.310 -5.678 -8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.221 -4.597 -7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.992 -6.554 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.596 -6.410 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.477 -5.098 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.057 -4.341 -5.075 1.00 0.00 H new ATOM 1481 N ASN A 96 10.941 -3.515 -9.066 1.00 0.00 N ATOM 1482 CA ASN A 96 9.651 -3.891 -9.656 1.00 0.00 C ATOM 1483 C ASN A 96 8.759 -2.670 -9.774 1.00 0.00 C ATOM 1484 O ASN A 96 8.235 -2.427 -10.848 1.00 0.00 O ATOM 1485 CB ASN A 96 8.907 -4.962 -8.809 1.00 0.00 C ATOM 1486 CG ASN A 96 7.458 -5.120 -9.214 1.00 0.00 C ATOM 1487 OD1 ASN A 96 6.580 -4.821 -8.419 1.00 0.00 O ATOM 1488 ND2 ASN A 96 7.172 -5.590 -10.447 1.00 0.00 N ATOM 0 H ASN A 96 11.042 -2.518 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 96 9.863 -4.312 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.416 -5.920 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.958 -4.687 -7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.201 -5.704 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.927 -5.831 -11.089 1.00 0.00 H new ATOM 1495 N TYR A 97 8.584 -1.896 -8.677 1.00 0.00 N ATOM 1496 CA TYR A 97 7.788 -0.669 -8.714 1.00 0.00 C ATOM 1497 C TYR A 97 8.290 0.245 -7.615 1.00 0.00 C ATOM 1498 O TYR A 97 9.258 -0.119 -6.965 1.00 0.00 O ATOM 1499 CB TYR A 97 6.276 -1.009 -8.592 1.00 0.00 C ATOM 1500 CG TYR A 97 5.722 -1.166 -7.164 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.129 -2.228 -6.353 1.00 0.00 C ATOM 1502 CD2 TYR A 97 4.774 -0.270 -6.653 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.527 -2.437 -5.110 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.121 -0.515 -5.443 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.508 -1.596 -4.650 1.00 0.00 C ATOM 1506 OH TYR A 97 3.875 -1.813 -3.421 1.00 0.00 O ATOM 0 H TYR A 97 8.986 -2.107 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 97 7.899 -0.148 -9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.708 -0.226 -9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.090 -1.936 -9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.913 -2.891 -6.689 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.543 0.629 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.854 -3.262 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.318 0.131 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 97 3.195 -1.122 -3.277 1.00 0.00 H new ATOM 1516 N HIS A 98 7.659 1.417 -7.388 1.00 0.00 N ATOM 1517 CA HIS A 98 8.042 2.292 -6.280 1.00 0.00 C ATOM 1518 C HIS A 98 6.774 2.742 -5.610 1.00 0.00 C ATOM 1519 O HIS A 98 5.739 2.722 -6.256 1.00 0.00 O ATOM 1520 CB HIS A 98 8.870 3.510 -6.775 1.00 0.00 C ATOM 1521 CG HIS A 98 8.828 4.739 -5.885 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.762 5.460 -5.597 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.895 5.285 -5.269 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.086 6.454 -4.836 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.313 6.412 -4.597 1.00 0.00 N ATOM 0 H HIS A 98 6.889 1.769 -7.957 1.00 0.00 H new ATOM 0 HA HIS A 98 8.679 1.752 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.909 3.199 -6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.514 3.790 -7.767 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.924 4.958 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.403 7.204 -4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.822 7.077 -4.014 1.00 0.00 H new ATOM 1533 N GLN A 99 6.839 3.160 -4.326 1.00 0.00 N ATOM 1534 CA GLN A 99 5.633 3.642 -3.664 1.00 0.00 C ATOM 1535 C GLN A 99 6.035 4.607 -2.574 1.00 0.00 C ATOM 1536 O GLN A 99 7.123 4.447 -2.046 1.00 0.00 O ATOM 1537 CB GLN A 99 4.831 2.406 -3.164 1.00 0.00 C ATOM 1538 CG GLN A 99 3.383 2.706 -2.671 1.00 0.00 C ATOM 1539 CD GLN A 99 3.192 2.430 -1.194 1.00 0.00 C ATOM 1540 OE1 GLN A 99 4.004 3.025 -0.294 1.00 0.00 O flip ATOM 1541 NE2 GLN A 99 2.304 1.667 -0.844 1.00 0.00 N flip ATOM 0 H GLN A 99 7.685 3.170 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 99 4.975 4.195 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.778 1.677 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.385 1.939 -2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.145 3.750 -2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.678 2.102 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.703 1.229 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.164 1.468 0.146 1.00 0.00 H new ATOM 1550 N THR A 100 5.189 5.605 -2.229 1.00 0.00 N ATOM 1551 CA THR A 100 5.475 6.486 -1.100 1.00 0.00 C ATOM 1552 C THR A 100 4.189 6.598 -0.310 1.00 0.00 C ATOM 1553 O THR A 100 3.274 7.231 -0.814 1.00 0.00 O ATOM 1554 CB THR A 100 5.946 7.870 -1.632 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.290 8.104 -2.888 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.489 7.939 -1.808 1.00 0.00 C ATOM 0 H THR A 100 4.317 5.810 -2.716 1.00 0.00 H new ATOM 0 HA THR A 100 6.272 6.100 -0.464 1.00 0.00 H new ATOM 0 HB THR A 100 5.684 8.638 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.568 8.973 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.769 8.924 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.973 7.764 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.809 7.177 -2.519 1.00 0.00 H new ATOM 1564 N SER A 101 4.092 5.998 0.904 1.00 0.00 N ATOM 1565 CA SER A 101 2.864 6.127 1.684 1.00 0.00 C ATOM 1566 C SER A 101 2.896 7.459 2.385 1.00 0.00 C ATOM 1567 O SER A 101 3.967 8.038 2.455 1.00 0.00 O ATOM 1568 CB SER A 101 2.631 4.974 2.693 1.00 0.00 C ATOM 1569 OG SER A 101 2.540 3.719 1.999 1.00 0.00 O ATOM 0 H SER A 101 4.828 5.442 1.340 1.00 0.00 H new ATOM 0 HA SER A 101 2.022 6.065 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.448 4.941 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.716 5.154 3.257 1.00 0.00 H new ATOM 0 HG SER A 101 3.161 3.719 1.241 1.00 0.00 H new ATOM 1575 N GLU A 102 1.754 7.970 2.903 1.00 0.00 N ATOM 1576 CA GLU A 102 1.782 9.266 3.575 1.00 0.00 C ATOM 1577 C GLU A 102 0.567 9.440 4.459 1.00 0.00 C ATOM 1578 O GLU A 102 -0.523 9.216 3.959 1.00 0.00 O ATOM 1579 CB GLU A 102 1.882 10.401 2.522 1.00 0.00 C ATOM 1580 CG GLU A 102 1.927 11.803 3.182 1.00 0.00 C ATOM 1581 CD GLU A 102 2.023 12.861 2.114 1.00 0.00 C ATOM 1582 OE1 GLU A 102 0.953 13.318 1.628 1.00 0.00 O ATOM 1583 OE2 GLU A 102 3.170 13.240 1.750 1.00 0.00 O ATOM 0 H GLU A 102 0.841 7.517 2.866 1.00 0.00 H new ATOM 0 HA GLU A 102 2.661 9.314 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.777 10.256 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.028 10.345 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.033 11.961 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.782 11.872 3.855 1.00 0.00 H new ATOM 1590 N ILE A 103 0.724 9.838 5.749 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.437 10.093 6.604 1.00 0.00 C ATOM 1592 C ILE A 103 -0.820 11.544 6.447 1.00 0.00 C ATOM 1593 O ILE A 103 0.066 12.361 6.250 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.186 9.694 8.090 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.195 8.151 8.252 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.165 10.382 9.085 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.603 7.521 8.395 1.00 0.00 C ATOM 0 H ILE A 103 1.627 9.983 6.200 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.268 9.462 6.289 1.00 0.00 H new ATOM 0 HB ILE A 103 0.806 10.063 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.301 7.706 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.396 7.888 9.129 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.936 10.061 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.056 11.464 9.013 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.190 10.103 8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.509 6.440 8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.098 7.932 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.194 7.747 7.508 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.136 11.863 6.515 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.604 13.223 6.259 1.00 0.00 C ATOM 1611 C VAL A 104 -3.628 13.544 7.330 1.00 0.00 C ATOM 1612 O VAL A 104 -4.816 13.577 7.051 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.150 13.293 4.800 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.589 14.737 4.427 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.094 12.786 3.776 1.00 0.00 C ATOM 0 H VAL A 104 -2.874 11.197 6.743 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.817 13.975 6.319 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.022 12.641 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.964 14.750 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.376 15.065 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.735 15.409 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.505 12.848 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.198 13.404 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.837 11.751 4.000 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.166 13.778 8.582 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.082 14.127 9.666 1.00 0.00 C ATOM 1627 C GLY A 105 -4.869 12.909 10.087 1.00 0.00 C ATOM 1628 O GLY A 105 -4.452 12.231 11.013 1.00 0.00 O ATOM 0 H GLY A 105 -2.183 13.730 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.522 14.520 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.761 14.915 9.340 1.00 0.00 H new ATOM 1632 N ASP A 106 -6.004 12.623 9.406 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.837 11.472 9.759 1.00 0.00 C ATOM 1634 C ASP A 106 -7.207 10.783 8.468 1.00 0.00 C ATOM 1635 O ASP A 106 -8.378 10.634 8.156 1.00 0.00 O ATOM 1636 CB ASP A 106 -8.069 11.962 10.560 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.598 12.640 11.821 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.448 11.937 12.857 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.369 13.879 11.784 1.00 0.00 O ATOM 0 H ASP A 106 -6.352 13.172 8.620 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.317 10.759 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.658 12.654 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.718 11.121 10.805 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.170 10.373 7.706 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.393 9.784 6.386 1.00 0.00 C ATOM 1646 C LYS A 107 -5.063 9.228 5.927 1.00 0.00 C ATOM 1647 O LYS A 107 -4.084 9.944 6.055 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.852 10.911 5.419 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.105 10.428 3.963 1.00 0.00 C ATOM 1650 CD LYS A 107 -6.995 11.583 2.928 1.00 0.00 C ATOM 1651 CE LYS A 107 -8.052 12.699 3.154 1.00 0.00 C ATOM 1652 NZ LYS A 107 -7.991 13.718 2.081 1.00 0.00 N ATOM 0 H LYS A 107 -5.191 10.441 7.983 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.151 9.001 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.767 11.359 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.095 11.695 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.386 9.649 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.096 9.980 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.997 12.018 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.112 11.176 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.049 12.259 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.883 13.174 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.707 14.451 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.046 14.153 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.176 13.267 1.163 1.00 0.00 H new ATOM 1666 N LEU A 108 -4.998 7.985 5.403 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.737 7.442 4.902 1.00 0.00 C ATOM 1668 C LEU A 108 -3.830 7.565 3.406 1.00 0.00 C ATOM 1669 O LEU A 108 -4.916 7.342 2.898 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.553 5.963 5.346 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.447 5.188 4.571 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.026 5.568 5.075 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.666 3.657 4.703 1.00 0.00 C ATOM 0 H LEU A 108 -5.796 7.355 5.321 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.872 7.976 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.315 5.943 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.501 5.439 5.222 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.519 5.471 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.279 5.009 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.863 6.636 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.939 5.326 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.885 3.129 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.627 3.373 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.640 3.392 4.291 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.731 7.902 2.689 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.786 7.937 1.230 1.00 0.00 C ATOM 1687 C VAL A 109 -1.531 7.302 0.687 1.00 0.00 C ATOM 1688 O VAL A 109 -0.596 7.135 1.455 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.013 9.382 0.691 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.077 10.137 1.533 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -1.704 10.206 0.638 1.00 0.00 C ATOM 0 H VAL A 109 -1.827 8.145 3.093 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.646 7.365 0.882 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.379 9.272 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.213 11.141 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.024 9.598 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.743 10.202 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.918 11.204 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.282 10.284 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.989 9.711 -0.019 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.498 6.949 -0.620 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.307 6.323 -1.189 1.00 0.00 C ATOM 1703 C GLU A 110 -0.128 6.753 -2.625 1.00 0.00 C ATOM 1704 O GLU A 110 -1.084 7.245 -3.200 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.339 4.772 -1.108 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.617 4.243 0.325 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.521 2.741 0.410 1.00 0.00 C ATOM 1708 OE1 GLU A 110 -0.462 2.067 -0.654 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -0.507 2.216 1.557 1.00 0.00 O ATOM 0 H GLU A 110 -2.267 7.087 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 110 0.538 6.659 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.107 4.395 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.615 4.376 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.095 4.690 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.611 4.560 0.640 1.00 0.00 H new ATOM 1716 N VAL A 111 1.091 6.580 -3.192 1.00 0.00 N ATOM 1717 CA VAL A 111 1.376 7.019 -4.557 1.00 0.00 C ATOM 1718 C VAL A 111 2.201 5.924 -5.200 1.00 0.00 C ATOM 1719 O VAL A 111 3.411 5.947 -5.040 1.00 0.00 O ATOM 1720 CB VAL A 111 2.146 8.368 -4.484 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.490 8.889 -5.905 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.325 9.441 -3.721 1.00 0.00 C ATOM 0 H VAL A 111 1.881 6.141 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 111 0.476 7.185 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 111 3.073 8.184 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.028 9.834 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.114 8.158 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.570 9.042 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.889 10.373 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.378 9.608 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.131 9.096 -2.705 1.00 0.00 H new ATOM 1732 N SER A 112 1.586 4.953 -5.916 1.00 0.00 N ATOM 1733 CA SER A 112 2.382 3.862 -6.494 1.00 0.00 C ATOM 1734 C SER A 112 3.156 4.431 -7.655 1.00 0.00 C ATOM 1735 O SER A 112 2.861 5.547 -8.045 1.00 0.00 O ATOM 1736 CB SER A 112 1.521 2.659 -6.975 1.00 0.00 C ATOM 1737 OG SER A 112 1.073 2.819 -8.332 1.00 0.00 O ATOM 0 H SER A 112 0.584 4.907 -6.098 1.00 0.00 H new ATOM 0 HA SER A 112 3.040 3.470 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.104 1.742 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.657 2.548 -6.320 1.00 0.00 H new ATOM 0 HG SER A 112 1.157 1.966 -8.807 1.00 0.00 H new ATOM 1743 N THR A 113 4.121 3.691 -8.241 1.00 0.00 N ATOM 1744 CA THR A 113 4.870 4.223 -9.376 1.00 0.00 C ATOM 1745 C THR A 113 5.636 3.128 -10.067 1.00 0.00 C ATOM 1746 O THR A 113 5.923 2.150 -9.400 1.00 0.00 O ATOM 1747 CB THR A 113 5.882 5.259 -8.824 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.243 6.389 -8.209 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.928 5.732 -9.860 1.00 0.00 C ATOM 0 H THR A 113 4.388 2.750 -7.950 1.00 0.00 H new ATOM 0 HA THR A 113 4.181 4.673 -10.091 1.00 0.00 H new ATOM 0 HB THR A 113 6.425 4.712 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.279 6.354 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.599 6.455 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.504 4.876 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.419 6.198 -10.704 1.00 0.00 H new ATOM 1757 N ILE A 114 5.996 3.268 -11.365 1.00 0.00 N ATOM 1758 CA ILE A 114 6.839 2.255 -12.001 1.00 0.00 C ATOM 1759 C ILE A 114 7.608 2.800 -13.192 1.00 0.00 C ATOM 1760 O ILE A 114 8.814 2.610 -13.226 1.00 0.00 O ATOM 1761 CB ILE A 114 6.020 0.971 -12.321 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.970 -0.153 -12.814 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.849 1.227 -13.308 1.00 0.00 C ATOM 1764 CD1 ILE A 114 6.253 -1.516 -12.947 1.00 0.00 C ATOM 0 H ILE A 114 5.723 4.046 -11.965 1.00 0.00 H new ATOM 0 HA ILE A 114 7.608 1.964 -11.285 1.00 0.00 H new ATOM 0 HB ILE A 114 5.545 0.642 -11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.391 0.128 -13.779 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.804 -0.251 -12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.317 0.294 -13.491 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.164 1.957 -12.878 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.244 1.610 -14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.962 -2.268 -13.295 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.855 -1.814 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.436 -1.429 -13.663 1.00 0.00 H new ATOM 1776 N GLY A 115 6.962 3.478 -14.172 1.00 0.00 N ATOM 1777 CA GLY A 115 7.685 4.042 -15.311 1.00 0.00 C ATOM 1778 C GLY A 115 7.109 5.408 -15.606 1.00 0.00 C ATOM 1779 O GLY A 115 7.705 6.394 -15.200 1.00 0.00 O ATOM 0 H GLY A 115 5.955 3.640 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.749 4.118 -15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.589 3.393 -16.181 1.00 0.00 H new ATOM 1783 N GLY A 116 5.937 5.471 -16.284 1.00 0.00 N ATOM 1784 CA GLY A 116 5.260 6.747 -16.515 1.00 0.00 C ATOM 1785 C GLY A 116 3.825 6.665 -16.048 1.00 0.00 C ATOM 1786 O GLY A 116 2.977 7.300 -16.656 1.00 0.00 O ATOM 0 H GLY A 116 5.456 4.659 -16.671 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.779 7.544 -15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.292 6.998 -17.575 1.00 0.00 H new ATOM 1790 N VAL A 117 3.546 5.894 -14.968 1.00 0.00 N ATOM 1791 CA VAL A 117 2.179 5.731 -14.469 1.00 0.00 C ATOM 1792 C VAL A 117 2.253 5.721 -12.958 1.00 0.00 C ATOM 1793 O VAL A 117 3.311 5.395 -12.443 1.00 0.00 O ATOM 1794 CB VAL A 117 1.557 4.424 -15.045 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.105 4.187 -14.542 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.571 4.471 -16.599 1.00 0.00 C ATOM 0 H VAL A 117 4.251 5.383 -14.437 1.00 0.00 H new ATOM 0 HA VAL A 117 1.531 6.547 -14.789 1.00 0.00 H new ATOM 0 HB VAL A 117 2.166 3.593 -14.690 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.283 3.264 -14.972 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.105 4.109 -13.455 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.526 5.022 -14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.135 3.554 -16.995 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.990 5.327 -16.942 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.598 4.565 -16.951 1.00 0.00 H new ATOM 1806 N THR A 118 1.171 6.091 -12.234 1.00 0.00 N ATOM 1807 CA THR A 118 1.255 6.210 -10.778 1.00 0.00 C ATOM 1808 C THR A 118 -0.130 6.018 -10.212 1.00 0.00 C ATOM 1809 O THR A 118 -1.019 6.681 -10.716 1.00 0.00 O ATOM 1810 CB THR A 118 1.802 7.619 -10.408 1.00 0.00 C ATOM 1811 OG1 THR A 118 3.241 7.592 -10.342 1.00 0.00 O ATOM 1812 CG2 THR A 118 1.251 8.151 -9.059 1.00 0.00 C ATOM 0 H THR A 118 0.256 6.305 -12.631 1.00 0.00 H new ATOM 0 HA THR A 118 1.928 5.458 -10.366 1.00 0.00 H new ATOM 0 HB THR A 118 1.463 8.293 -11.194 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.584 6.918 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.670 9.137 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.165 8.223 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.530 7.468 -8.257 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.342 5.158 -9.190 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.688 4.940 -8.667 1.00 0.00 C ATOM 1822 C TYR A 119 -1.799 5.768 -7.409 1.00 0.00 C ATOM 1823 O TYR A 119 -1.396 5.282 -6.363 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.943 3.441 -8.335 1.00 0.00 C ATOM 1825 CG TYR A 119 -3.175 3.140 -7.474 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.215 4.060 -7.326 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -3.267 1.914 -6.801 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -5.270 3.799 -6.456 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -4.385 1.606 -6.019 1.00 0.00 C ATOM 1830 CZ TYR A 119 -5.412 2.544 -5.864 1.00 0.00 C ATOM 1831 OH TYR A 119 -6.561 2.257 -5.119 1.00 0.00 O ATOM 0 H TYR A 119 0.391 4.620 -8.727 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.429 5.228 -9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.038 2.893 -9.273 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.064 3.048 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.201 4.981 -7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.464 1.197 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.986 4.577 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -4.456 0.643 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.507 1.341 -4.774 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.349 7.003 -7.474 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.569 7.761 -6.244 1.00 0.00 C ATOM 1843 C GLU A 120 -3.857 7.282 -5.623 1.00 0.00 C ATOM 1844 O GLU A 120 -4.763 6.972 -6.381 1.00 0.00 O ATOM 1845 CB GLU A 120 -2.547 9.290 -6.485 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.793 10.077 -5.173 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.666 11.556 -5.433 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.662 12.165 -5.909 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -1.569 12.119 -5.168 1.00 0.00 O ATOM 0 H GLU A 120 -2.635 7.472 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.750 7.581 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.585 9.579 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.310 9.555 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.786 9.851 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.075 9.769 -4.413 1.00 0.00 H new ATOM 1856 N ARG A 121 -3.968 7.198 -4.273 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.162 6.591 -3.681 1.00 0.00 C ATOM 1858 C ARG A 121 -5.401 7.222 -2.338 1.00 0.00 C ATOM 1859 O ARG A 121 -4.540 7.978 -1.921 1.00 0.00 O ATOM 1860 CB ARG A 121 -4.957 5.053 -3.551 1.00 0.00 C ATOM 1861 CG ARG A 121 -4.359 4.567 -2.202 1.00 0.00 C ATOM 1862 CD ARG A 121 -4.009 3.053 -2.264 1.00 0.00 C ATOM 1863 NE ARG A 121 -3.576 2.530 -0.966 1.00 0.00 N ATOM 1864 CZ ARG A 121 -3.274 1.266 -0.754 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.308 0.357 -1.702 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -2.924 0.894 0.457 1.00 0.00 N ATOM 0 H ARG A 121 -3.271 7.531 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.033 6.761 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.919 4.563 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.303 4.722 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.463 5.142 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.072 4.747 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.880 2.494 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.220 2.894 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.505 3.181 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.577 0.619 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.065 -0.611 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.890 1.580 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.686 -0.080 0.642 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.527 6.924 -1.656 1.00 0.00 N ATOM 1881 CA VAL A 122 -6.757 7.495 -0.332 1.00 0.00 C ATOM 1882 C VAL A 122 -7.410 6.431 0.524 1.00 0.00 C ATOM 1883 O VAL A 122 -8.542 6.067 0.247 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.565 8.826 -0.403 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -6.780 9.929 -1.171 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -8.942 8.647 -1.088 1.00 0.00 C ATOM 0 H VAL A 122 -7.266 6.308 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.812 7.781 0.129 1.00 0.00 H new ATOM 0 HB VAL A 122 -7.720 9.129 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.373 10.843 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.836 10.125 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.580 9.592 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.464 9.604 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -8.798 8.287 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.535 7.924 -0.529 1.00 0.00 H new ATOM 1896 N SER A 123 -6.721 5.900 1.560 1.00 0.00 N ATOM 1897 CA SER A 123 -7.373 4.986 2.488 1.00 0.00 C ATOM 1898 C SER A 123 -7.849 5.861 3.626 1.00 0.00 C ATOM 1899 O SER A 123 -7.021 6.244 4.436 1.00 0.00 O ATOM 1900 CB SER A 123 -6.387 3.870 2.915 1.00 0.00 C ATOM 1901 OG SER A 123 -5.976 3.077 1.791 1.00 0.00 O ATOM 0 H SER A 123 -5.739 6.090 1.761 1.00 0.00 H new ATOM 0 HA SER A 123 -8.220 4.451 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.512 4.316 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.860 3.230 3.660 1.00 0.00 H new ATOM 0 HG SER A 123 -5.353 2.382 2.091 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.155 6.217 3.705 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.613 7.120 4.765 1.00 0.00 C ATOM 1909 C LYS A 124 -9.387 6.483 6.111 1.00 0.00 C ATOM 1910 O LYS A 124 -9.127 5.295 6.122 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.117 7.517 4.648 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.348 8.798 3.813 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.195 8.586 2.288 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.340 9.949 1.553 1.00 0.00 C ATOM 1915 NZ LYS A 124 -12.065 9.831 0.265 1.00 0.00 N ATOM 0 H LYS A 124 -9.882 5.899 3.064 1.00 0.00 H new ATOM 0 HA LYS A 124 -9.029 8.033 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.669 6.693 4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.526 7.665 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.348 9.179 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.643 9.563 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.223 8.145 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.951 7.887 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.867 10.651 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.350 10.366 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.267 10.781 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.479 9.309 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.959 9.321 0.415 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.492 7.247 7.226 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.200 6.715 8.563 1.00 0.00 C ATOM 1931 C ARG A 125 -10.523 6.525 9.269 1.00 0.00 C ATOM 1932 O ARG A 125 -11.029 7.474 9.847 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.265 7.670 9.358 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.589 7.020 10.603 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.572 6.441 11.657 1.00 0.00 C ATOM 1936 NE ARG A 125 -7.859 5.951 12.840 1.00 0.00 N ATOM 1937 CZ ARG A 125 -8.442 5.294 13.822 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -9.732 5.044 13.846 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -7.704 4.868 14.823 1.00 0.00 N ATOM 0 H ARG A 125 -9.776 8.227 7.218 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.672 5.765 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.488 8.038 8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.842 8.536 9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.931 6.220 10.264 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.960 7.767 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -9.285 7.210 11.953 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.146 5.628 11.213 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.857 6.128 12.907 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.328 5.363 13.082 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.138 4.531 14.629 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.700 5.048 14.829 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.135 4.357 15.593 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.092 5.299 9.221 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.430 5.049 9.751 1.00 0.00 C ATOM 1955 C LEU A 126 -12.631 3.549 9.792 1.00 0.00 C ATOM 1956 O LEU A 126 -11.629 2.855 9.871 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.491 5.848 8.935 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.785 5.315 7.500 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.614 6.376 6.731 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.486 5.003 6.722 1.00 0.00 C ATOM 0 H LEU A 126 -10.639 4.478 8.820 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.552 5.414 10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.424 5.855 9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.158 6.883 8.857 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.344 4.383 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.826 6.013 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.552 6.556 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.048 7.306 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.737 4.634 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.889 5.910 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.915 4.244 7.257 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.870 3.017 9.740 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.050 1.569 9.817 1.00 0.00 C ATOM 1974 C ALA A 127 -15.390 1.179 9.246 1.00 0.00 C ATOM 1975 O ALA A 127 -15.480 0.419 8.296 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.974 1.139 11.302 1.00 0.00 C ATOM 0 H ALA A 127 -14.731 3.556 9.648 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.269 1.073 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -14.107 0.060 11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -13.002 1.414 11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.760 1.640 11.867 1.00 0.00 H new TER 1982 ALA A 127