USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 85 TYR OH : rot 165:sc= 0.35 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 158:sc= 1.01 (180deg=-0.159) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -121:sc= 0.185 (180deg=-0.393) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -108:sc= -4.09 (180deg=-8.6!) USER MOD Set 3.1: A 39 SER OG : rot 180:sc= -0.76 USER MOD Set 3.2: A 41 TYR OH : rot 130:sc= 0.711 USER MOD Set 3.3: A 49 LYS NZ :NH3+ -174:sc= 0.971 (180deg=0.0581) USER MOD Set 4.1: A 17 ASN : amide:sc= -0.024 K(o=-0.17,f=-1.3) USER MOD Set 4.2: A 71 LYS NZ :NH3+ 149:sc= -0.15 (180deg=-0.877) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0769 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -45:sc= 0.9 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.37! C(o=-4.4!,f=-14!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0221) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 0.927 (180deg=0.0335) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 15:sc= 0.0337 USER MOD Single : A 37 SER OG : rot 180:sc= -0.598 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= 0.672 (180deg=0.359) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.93! C(o=-2.9!,f=-4.5!) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.314 (180deg=-0.543) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0552 (180deg=-0.402) USER MOD Single : A 68 MET CE :methyl 169:sc=-0.00988 (180deg=-0.258) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.114 F(o=-1.5,f=-0.11) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.222 F(o=-1.2,f=-0.22) USER MOD Single : A 78 ASN : amide:sc= -5.31! C(o=-5.3!,f=-19!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.8!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -5.12 K(o=-5.1,f=-15!) USER MOD Single : A 95 CYS SG : rot -120:sc= -1.32 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -40:sc= 0.402 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.457 27.891 -1.567 1.00 0.00 N ATOM 2 CA GLY A 1 5.723 27.227 -1.320 1.00 0.00 C ATOM 3 C GLY A 1 5.551 25.886 -0.635 1.00 0.00 C ATOM 4 O GLY A 1 4.446 25.347 -0.580 1.00 0.00 O ATOM 0 H1 GLY A 1 4.378 28.122 -2.578 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.676 27.262 -1.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.409 28.766 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.245 27.084 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.352 27.869 -0.703 1.00 0.00 H new ATOM 8 N SER A 2 6.647 25.344 -0.113 1.00 0.00 N ATOM 9 CA SER A 2 6.613 24.055 0.566 1.00 0.00 C ATOM 10 C SER A 2 7.156 24.175 1.987 1.00 0.00 C ATOM 11 O SER A 2 8.159 24.847 2.225 1.00 0.00 O ATOM 12 CB SER A 2 7.425 23.020 -0.216 1.00 0.00 C ATOM 13 OG SER A 2 7.327 21.738 0.380 1.00 0.00 O ATOM 0 H SER A 2 7.569 25.778 -0.148 1.00 0.00 H new ATOM 0 HA SER A 2 5.575 23.728 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.067 22.974 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.470 23.327 -0.255 1.00 0.00 H new ATOM 0 HG SER A 2 7.853 21.095 -0.139 1.00 0.00 H new ATOM 19 N SER A 3 6.484 23.519 2.928 1.00 0.00 N ATOM 20 CA SER A 3 6.896 23.554 4.327 1.00 0.00 C ATOM 21 C SER A 3 8.408 23.401 4.452 1.00 0.00 C ATOM 22 O SER A 3 9.079 24.231 5.063 1.00 0.00 O ATOM 23 CB SER A 3 6.192 22.448 5.115 1.00 0.00 C ATOM 24 OG SER A 3 6.501 22.531 6.496 1.00 0.00 O ATOM 0 H SER A 3 5.652 22.957 2.747 1.00 0.00 H new ATOM 0 HA SER A 3 6.612 24.522 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.114 22.527 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.493 21.474 4.729 1.00 0.00 H new ATOM 0 HG SER A 3 6.038 21.815 6.978 1.00 0.00 H new ATOM 30 N GLY A 4 8.939 22.331 3.867 1.00 0.00 N ATOM 31 CA GLY A 4 10.368 22.087 3.924 1.00 0.00 C ATOM 32 C GLY A 4 10.751 20.742 3.338 1.00 0.00 C ATOM 33 O GLY A 4 10.085 20.240 2.433 1.00 0.00 O ATOM 0 H GLY A 4 8.405 21.629 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.890 22.877 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.701 22.136 4.961 1.00 0.00 H new ATOM 37 N SER A 5 11.828 20.158 3.854 1.00 0.00 N ATOM 38 CA SER A 5 12.301 18.866 3.373 1.00 0.00 C ATOM 39 C SER A 5 12.383 17.858 4.515 1.00 0.00 C ATOM 40 O SER A 5 13.320 17.062 4.589 1.00 0.00 O ATOM 41 CB SER A 5 13.672 19.016 2.710 1.00 0.00 C ATOM 42 OG SER A 5 14.143 17.770 2.225 1.00 0.00 O ATOM 0 H SER A 5 12.389 20.560 4.605 1.00 0.00 H new ATOM 0 HA SER A 5 11.588 18.497 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.606 19.728 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.384 19.423 3.428 1.00 0.00 H new ATOM 0 HG SER A 5 13.996 17.078 2.904 1.00 0.00 H new ATOM 48 N SER A 6 11.396 17.897 5.403 1.00 0.00 N ATOM 49 CA SER A 6 11.357 16.991 6.545 1.00 0.00 C ATOM 50 C SER A 6 11.675 15.562 6.114 1.00 0.00 C ATOM 51 O SER A 6 12.364 14.827 6.821 1.00 0.00 O ATOM 52 CB SER A 6 9.983 17.040 7.216 1.00 0.00 C ATOM 53 OG SER A 6 10.083 16.766 8.603 1.00 0.00 O ATOM 0 H SER A 6 10.611 18.547 5.354 1.00 0.00 H new ATOM 0 HA SER A 6 12.113 17.314 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.537 18.024 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.319 16.315 6.746 1.00 0.00 H new ATOM 0 HG SER A 6 9.192 16.805 9.009 1.00 0.00 H new ATOM 59 N GLY A 7 11.166 15.175 4.948 1.00 0.00 N ATOM 60 CA GLY A 7 11.405 13.836 4.442 1.00 0.00 C ATOM 61 C GLY A 7 10.123 13.053 4.242 1.00 0.00 C ATOM 62 O GLY A 7 9.358 13.327 3.317 1.00 0.00 O ATOM 0 H GLY A 7 10.593 15.765 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.940 13.899 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.050 13.299 5.137 1.00 0.00 H new ATOM 66 N VAL A 8 9.886 12.075 5.111 1.00 0.00 N ATOM 67 CA VAL A 8 8.687 11.250 5.025 1.00 0.00 C ATOM 68 C VAL A 8 7.495 12.062 4.532 1.00 0.00 C ATOM 69 O VAL A 8 7.397 13.261 4.794 1.00 0.00 O ATOM 70 CB VAL A 8 8.339 10.622 6.388 1.00 0.00 C ATOM 71 CG1 VAL A 8 8.490 11.647 7.502 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.929 10.050 6.366 1.00 0.00 C ATOM 0 H VAL A 8 10.509 11.835 5.882 1.00 0.00 H new ATOM 0 HA VAL A 8 8.901 10.455 4.311 1.00 0.00 H new ATOM 0 HB VAL A 8 9.035 9.806 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.240 11.186 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.519 12.005 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.819 12.486 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.700 9.610 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.217 10.846 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.860 9.283 5.595 1.00 0.00 H new ATOM 82 N ILE A 9 6.591 11.401 3.817 1.00 0.00 N ATOM 83 CA ILE A 9 5.403 12.062 3.289 1.00 0.00 C ATOM 84 C ILE A 9 4.182 11.771 4.154 1.00 0.00 C ATOM 85 O ILE A 9 3.342 12.644 4.374 1.00 0.00 O ATOM 86 CB ILE A 9 5.111 11.622 1.843 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.268 12.017 0.922 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.807 12.236 1.356 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.059 11.610 -0.519 1.00 0.00 C ATOM 0 H ILE A 9 6.658 10.409 3.590 1.00 0.00 H new ATOM 0 HA ILE A 9 5.606 13.133 3.300 1.00 0.00 H new ATOM 0 HB ILE A 9 5.010 10.537 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.407 13.097 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.187 11.561 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.614 11.916 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.989 11.910 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.882 13.323 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.918 11.922 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.950 10.527 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.158 12.087 -0.905 1.00 0.00 H new ATOM 101 N ARG A 10 4.090 10.540 4.644 1.00 0.00 N ATOM 102 CA ARG A 10 2.971 10.133 5.486 1.00 0.00 C ATOM 103 C ARG A 10 3.274 8.816 6.195 1.00 0.00 C ATOM 104 O ARG A 10 4.141 8.054 5.765 1.00 0.00 O ATOM 105 CB ARG A 10 1.699 9.994 4.649 1.00 0.00 C ATOM 106 CG ARG A 10 0.469 9.632 5.465 1.00 0.00 C ATOM 107 CD ARG A 10 -0.799 10.189 4.837 1.00 0.00 C ATOM 108 NE ARG A 10 -1.972 9.383 5.166 1.00 0.00 N ATOM 109 CZ ARG A 10 -2.646 9.496 6.305 1.00 0.00 C ATOM 110 NH1 ARG A 10 -2.265 10.377 7.219 1.00 0.00 N ATOM 111 NH2 ARG A 10 -3.703 8.727 6.531 1.00 0.00 N ATOM 0 H ARG A 10 4.777 9.806 4.473 1.00 0.00 H new ATOM 0 HA ARG A 10 2.818 10.904 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.514 10.932 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.857 9.230 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.391 8.548 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.576 10.020 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.954 11.212 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.680 10.230 3.754 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.291 8.695 4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.453 10.970 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.784 10.462 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.999 8.048 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.220 8.815 7.406 1.00 0.00 H new ATOM 125 N ARG A 11 2.555 8.555 7.281 1.00 0.00 N ATOM 126 CA ARG A 11 2.747 7.331 8.049 1.00 0.00 C ATOM 127 C ARG A 11 1.474 6.956 8.802 1.00 0.00 C ATOM 128 O ARG A 11 0.799 7.815 9.367 1.00 0.00 O ATOM 129 CB ARG A 11 3.904 7.500 9.036 1.00 0.00 C ATOM 130 CG ARG A 11 5.151 8.107 8.414 1.00 0.00 C ATOM 131 CD ARG A 11 6.268 8.254 9.435 1.00 0.00 C ATOM 132 NE ARG A 11 6.166 9.504 10.182 1.00 0.00 N ATOM 133 CZ ARG A 11 7.172 10.034 10.870 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.349 9.426 10.904 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.000 11.176 11.525 1.00 0.00 N ATOM 0 H ARG A 11 1.834 9.175 7.649 1.00 0.00 H new ATOM 0 HA ARG A 11 2.986 6.528 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.576 8.131 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.155 6.527 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.490 7.479 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.911 9.083 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.238 7.414 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.231 8.213 8.927 1.00 0.00 H new ATOM 0 HE ARG A 11 5.274 9.998 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.485 8.549 10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.119 9.835 11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.096 11.647 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.772 11.582 12.053 1.00 0.00 H new ATOM 149 N GLY A 12 1.152 5.666 8.804 1.00 0.00 N ATOM 150 CA GLY A 12 -0.039 5.199 9.489 1.00 0.00 C ATOM 151 C GLY A 12 -0.148 3.687 9.497 1.00 0.00 C ATOM 152 O GLY A 12 0.534 3.005 8.733 1.00 0.00 O ATOM 0 H GLY A 12 1.695 4.936 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.031 5.565 10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.921 5.621 9.007 1.00 0.00 H new ATOM 156 N TRP A 13 -1.007 3.163 10.364 1.00 0.00 N ATOM 157 CA TRP A 13 -1.202 1.721 10.470 1.00 0.00 C ATOM 158 C TRP A 13 -2.253 1.240 9.476 1.00 0.00 C ATOM 159 O TRP A 13 -3.446 1.498 9.645 1.00 0.00 O ATOM 160 CB TRP A 13 -1.617 1.345 11.893 1.00 0.00 C ATOM 161 CG TRP A 13 -0.510 1.490 12.893 1.00 0.00 C ATOM 162 CD1 TRP A 13 -0.089 2.645 13.488 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.319 0.444 13.412 1.00 0.00 C ATOM 164 NE1 TRP A 13 0.951 2.380 14.346 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.220 1.037 14.318 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.386 -0.935 13.201 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.175 0.297 15.009 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.335 -1.669 13.888 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.219 -1.052 14.784 1.00 0.00 C ATOM 0 H TRP A 13 -1.579 3.714 11.003 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.256 1.233 10.235 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.456 1.972 12.197 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.971 0.314 11.900 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.511 3.623 13.310 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.443 3.071 14.912 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.291 -1.419 12.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.858 0.771 15.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.396 -2.736 13.732 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.949 -1.653 15.307 1.00 0.00 H new ATOM 180 N LEU A 14 -1.805 0.539 8.441 1.00 0.00 N ATOM 181 CA LEU A 14 -2.709 0.021 7.419 1.00 0.00 C ATOM 182 C LEU A 14 -2.893 -1.486 7.569 1.00 0.00 C ATOM 183 O LEU A 14 -2.121 -2.152 8.261 1.00 0.00 O ATOM 184 CB LEU A 14 -2.172 0.344 6.024 1.00 0.00 C ATOM 185 CG LEU A 14 -2.555 1.712 5.458 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.698 2.047 4.247 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.032 1.743 5.093 1.00 0.00 C ATOM 0 H LEU A 14 -0.822 0.316 8.287 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.679 0.502 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.084 0.275 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.523 -0.424 5.334 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.375 2.465 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.985 3.024 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.648 2.066 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.847 1.291 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.287 2.724 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.237 0.979 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.631 1.548 5.983 1.00 0.00 H new ATOM 199 N THR A 15 -3.919 -2.020 6.914 1.00 0.00 N ATOM 200 CA THR A 15 -4.205 -3.448 6.973 1.00 0.00 C ATOM 201 C THR A 15 -4.233 -4.061 5.578 1.00 0.00 C ATOM 202 O THR A 15 -5.068 -3.699 4.748 1.00 0.00 O ATOM 203 CB THR A 15 -5.550 -3.723 7.670 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.508 -3.251 9.021 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.871 -5.210 7.658 1.00 0.00 C ATOM 0 H THR A 15 -4.566 -1.484 6.336 1.00 0.00 H new ATOM 0 HA THR A 15 -3.404 -3.907 7.552 1.00 0.00 H new ATOM 0 HB THR A 15 -6.331 -3.193 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.368 -3.428 9.456 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.826 -5.380 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.931 -5.561 6.628 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.086 -5.756 8.182 1.00 0.00 H new ATOM 213 N ILE A 16 -3.318 -4.990 5.326 1.00 0.00 N ATOM 214 CA ILE A 16 -3.240 -5.655 4.031 1.00 0.00 C ATOM 215 C ILE A 16 -4.358 -6.680 3.871 1.00 0.00 C ATOM 216 O ILE A 16 -4.319 -7.753 4.471 1.00 0.00 O ATOM 217 CB ILE A 16 -1.883 -6.357 3.839 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.743 -5.445 4.296 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.696 -6.758 2.383 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.629 -6.054 4.113 1.00 0.00 C ATOM 0 H ILE A 16 -2.620 -5.300 6.002 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.349 -4.881 3.272 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.868 -7.260 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.793 -4.509 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.885 -5.199 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.732 -7.253 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.494 -7.440 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.728 -5.869 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.388 -5.352 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.698 -6.976 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.792 -6.274 3.058 1.00 0.00 H new ATOM 232 N ASN A 17 -5.352 -6.341 3.057 1.00 0.00 N ATOM 233 CA ASN A 17 -6.480 -7.233 2.817 1.00 0.00 C ATOM 234 C ASN A 17 -6.039 -8.474 2.046 1.00 0.00 C ATOM 235 O ASN A 17 -6.148 -9.595 2.539 1.00 0.00 O ATOM 236 CB ASN A 17 -7.579 -6.502 2.043 1.00 0.00 C ATOM 237 CG ASN A 17 -8.958 -7.066 2.326 1.00 0.00 C ATOM 238 OD1 ASN A 17 -9.094 -8.153 2.889 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.991 -6.328 1.935 1.00 0.00 N ATOM 0 H ASN A 17 -5.399 -5.456 2.553 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.873 -7.549 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.561 -5.444 2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.374 -6.570 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.943 -6.656 2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.832 -5.433 1.472 1.00 0.00 H new ATOM 246 N ASN A 18 -5.540 -8.263 0.832 1.00 0.00 N ATOM 247 CA ASN A 18 -5.081 -9.363 -0.008 1.00 0.00 C ATOM 248 C ASN A 18 -4.471 -10.476 0.839 1.00 0.00 C ATOM 249 O ASN A 18 -4.971 -11.601 0.857 1.00 0.00 O ATOM 250 CB ASN A 18 -4.057 -8.862 -1.027 1.00 0.00 C ATOM 251 CG ASN A 18 -3.206 -7.730 -0.484 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.727 -6.741 0.033 1.00 0.00 O ATOM 253 ND2 ASN A 18 -1.891 -7.871 -0.598 1.00 0.00 N ATOM 0 H ASN A 18 -5.443 -7.340 0.408 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.943 -9.766 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.411 -9.688 -1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.576 -8.524 -1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.268 -7.142 -0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.504 -8.708 -1.034 1.00 0.00 H new ATOM 260 N ILE A 19 -3.388 -10.153 1.538 1.00 0.00 N ATOM 261 CA ILE A 19 -2.710 -11.124 2.388 1.00 0.00 C ATOM 262 C ILE A 19 -3.672 -11.730 3.405 1.00 0.00 C ATOM 263 O ILE A 19 -3.735 -11.291 4.553 1.00 0.00 O ATOM 264 CB ILE A 19 -1.524 -10.487 3.136 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.375 -10.204 2.166 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.060 -11.396 4.264 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.875 -9.688 2.845 1.00 0.00 C ATOM 0 H ILE A 19 -2.961 -9.227 1.532 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.335 -11.910 1.732 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.851 -9.542 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.134 -11.119 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.705 -9.474 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.221 -10.932 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.879 -11.553 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.746 -12.355 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.648 -9.509 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.649 -8.756 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.230 -10.426 3.564 1.00 0.00 H new ATOM 279 N SER A 20 -4.417 -12.744 2.975 1.00 0.00 N ATOM 280 CA SER A 20 -5.377 -13.410 3.848 1.00 0.00 C ATOM 281 C SER A 20 -4.678 -14.021 5.058 1.00 0.00 C ATOM 282 O SER A 20 -3.474 -13.847 5.248 1.00 0.00 O ATOM 283 CB SER A 20 -6.130 -14.496 3.077 1.00 0.00 C ATOM 284 OG SER A 20 -5.234 -15.327 2.360 1.00 0.00 O ATOM 0 H SER A 20 -4.374 -13.122 2.029 1.00 0.00 H new ATOM 0 HA SER A 20 -6.089 -12.664 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.715 -15.100 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.834 -14.033 2.386 1.00 0.00 H new ATOM 0 HG SER A 20 -5.740 -16.014 1.877 1.00 0.00 H new ATOM 290 N LEU A 21 -5.442 -14.738 5.875 1.00 0.00 N ATOM 291 CA LEU A 21 -4.898 -15.377 7.068 1.00 0.00 C ATOM 292 C LEU A 21 -3.709 -16.265 6.716 1.00 0.00 C ATOM 293 O LEU A 21 -3.673 -16.877 5.650 1.00 0.00 O ATOM 294 CB LEU A 21 -5.978 -16.205 7.766 1.00 0.00 C ATOM 295 CG LEU A 21 -6.443 -17.460 7.027 1.00 0.00 C ATOM 296 CD1 LEU A 21 -6.958 -18.499 8.012 1.00 0.00 C ATOM 297 CD2 LEU A 21 -7.516 -17.113 6.006 1.00 0.00 C ATOM 0 H LEU A 21 -6.440 -14.891 5.733 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.556 -14.594 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.604 -16.502 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.844 -15.566 7.936 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.590 -17.882 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.285 -19.385 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.161 -18.771 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.798 -18.086 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.834 -18.019 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.370 -16.665 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.113 -16.405 5.281 1.00 0.00 H new ATOM 309 N MET A 22 -2.738 -16.331 7.622 1.00 0.00 N ATOM 310 CA MET A 22 -1.549 -17.148 7.408 1.00 0.00 C ATOM 311 C MET A 22 -1.003 -17.670 8.733 1.00 0.00 C ATOM 312 O MET A 22 -1.163 -17.036 9.776 1.00 0.00 O ATOM 313 CB MET A 22 -0.472 -16.338 6.683 1.00 0.00 C ATOM 314 CG MET A 22 0.183 -15.279 7.556 1.00 0.00 C ATOM 315 SD MET A 22 1.257 -14.174 6.619 1.00 0.00 S ATOM 316 CE MET A 22 2.716 -15.196 6.434 1.00 0.00 C ATOM 0 H MET A 22 -2.751 -15.829 8.510 1.00 0.00 H new ATOM 0 HA MET A 22 -1.830 -18.001 6.790 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.295 -17.018 6.314 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.916 -15.856 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.591 -14.693 8.052 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.764 -15.767 8.338 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.474 -14.650 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.107 -15.453 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.455 -16.108 5.898 1.00 0.00 H new ATOM 326 N LYS A 23 -0.357 -18.831 8.685 1.00 0.00 N ATOM 327 CA LYS A 23 0.213 -19.439 9.881 1.00 0.00 C ATOM 328 C LYS A 23 1.320 -18.565 10.461 1.00 0.00 C ATOM 329 O LYS A 23 2.463 -18.610 10.007 1.00 0.00 O ATOM 330 CB LYS A 23 0.764 -20.830 9.558 1.00 0.00 C ATOM 331 CG LYS A 23 -0.283 -21.928 9.621 1.00 0.00 C ATOM 332 CD LYS A 23 -0.625 -22.291 11.056 1.00 0.00 C ATOM 333 CE LYS A 23 -1.628 -23.432 11.119 1.00 0.00 C ATOM 334 NZ LYS A 23 -2.975 -23.014 10.639 1.00 0.00 N ATOM 0 H LYS A 23 -0.216 -19.369 7.830 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.579 -19.532 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.203 -20.815 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.567 -21.065 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.185 -21.602 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.083 -22.812 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.284 -22.574 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.033 -21.418 11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.269 -24.265 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.704 -23.793 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.653 -23.787 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.285 -22.172 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.928 -22.791 9.624 1.00 0.00 H new ATOM 348 N GLY A 24 0.974 -17.770 11.469 1.00 0.00 N ATOM 349 CA GLY A 24 1.950 -16.897 12.095 1.00 0.00 C ATOM 350 C GLY A 24 2.169 -15.617 11.314 1.00 0.00 C ATOM 351 O GLY A 24 2.445 -15.653 10.115 1.00 0.00 O ATOM 0 H GLY A 24 0.035 -17.715 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.618 -16.651 13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.898 -17.427 12.191 1.00 0.00 H new ATOM 355 N GLY A 25 2.045 -14.481 11.994 1.00 0.00 N ATOM 356 CA GLY A 25 2.233 -13.200 11.339 1.00 0.00 C ATOM 357 C GLY A 25 0.958 -12.381 11.290 1.00 0.00 C ATOM 358 O GLY A 25 -0.086 -12.871 10.860 1.00 0.00 O ATOM 0 H GLY A 25 1.818 -14.425 12.987 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.003 -12.636 11.865 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.595 -13.364 10.324 1.00 0.00 H new ATOM 362 N SER A 26 1.042 -11.131 11.733 1.00 0.00 N ATOM 363 CA SER A 26 -0.115 -10.244 11.742 1.00 0.00 C ATOM 364 C SER A 26 -0.460 -9.786 10.329 1.00 0.00 C ATOM 365 O SER A 26 0.173 -10.199 9.357 1.00 0.00 O ATOM 366 CB SER A 26 0.154 -9.030 12.633 1.00 0.00 C ATOM 367 OG SER A 26 0.487 -9.428 13.952 1.00 0.00 O ATOM 0 H SER A 26 1.899 -10.710 12.090 1.00 0.00 H new ATOM 0 HA SER A 26 -0.964 -10.799 12.142 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.968 -8.439 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.727 -8.389 12.655 1.00 0.00 H new ATOM 0 HG SER A 26 0.656 -8.634 14.501 1.00 0.00 H new ATOM 373 N LYS A 27 -1.470 -8.928 10.222 1.00 0.00 N ATOM 374 CA LYS A 27 -1.901 -8.411 8.929 1.00 0.00 C ATOM 375 C LYS A 27 -1.579 -6.925 8.802 1.00 0.00 C ATOM 376 O LYS A 27 -1.340 -6.425 7.704 1.00 0.00 O ATOM 377 CB LYS A 27 -3.403 -8.636 8.741 1.00 0.00 C ATOM 378 CG LYS A 27 -3.774 -10.086 8.487 1.00 0.00 C ATOM 379 CD LYS A 27 -3.841 -10.880 9.781 1.00 0.00 C ATOM 380 CE LYS A 27 -3.523 -12.350 9.551 1.00 0.00 C ATOM 381 NZ LYS A 27 -2.116 -12.550 9.108 1.00 0.00 N ATOM 0 H LYS A 27 -2.005 -8.576 11.016 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.359 -8.950 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.928 -8.286 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.751 -8.029 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.738 -10.132 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.041 -10.538 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.138 -10.463 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.836 -10.786 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.697 -12.907 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.201 -12.755 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.099 -13.181 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.699 -11.632 8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.566 -12.977 9.881 1.00 0.00 H new ATOM 395 N GLU A 28 -1.574 -6.227 9.934 1.00 0.00 N ATOM 396 CA GLU A 28 -1.280 -4.799 9.948 1.00 0.00 C ATOM 397 C GLU A 28 0.221 -4.551 9.823 1.00 0.00 C ATOM 398 O GLU A 28 1.033 -5.398 10.194 1.00 0.00 O ATOM 399 CB GLU A 28 -1.809 -4.159 11.233 1.00 0.00 C ATOM 400 CG GLU A 28 -1.024 -4.549 12.474 1.00 0.00 C ATOM 401 CD GLU A 28 -1.535 -5.827 13.110 1.00 0.00 C ATOM 402 OE1 GLU A 28 -2.577 -6.342 12.651 1.00 0.00 O ATOM 403 OE2 GLU A 28 -0.895 -6.312 14.066 1.00 0.00 O ATOM 0 H GLU A 28 -1.770 -6.627 10.852 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.778 -4.343 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.787 -3.075 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.852 -4.444 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.026 -4.673 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.076 -3.739 13.202 1.00 0.00 H new ATOM 410 N TYR A 29 0.580 -3.384 9.299 1.00 0.00 N ATOM 411 CA TYR A 29 1.982 -3.025 9.123 1.00 0.00 C ATOM 412 C TYR A 29 2.163 -1.510 9.143 1.00 0.00 C ATOM 413 O TYR A 29 1.275 -0.763 8.733 1.00 0.00 O ATOM 414 CB TYR A 29 2.515 -3.596 7.808 1.00 0.00 C ATOM 415 CG TYR A 29 2.674 -5.099 7.821 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.613 -5.933 7.491 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.886 -5.687 8.164 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.753 -7.307 7.502 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.036 -7.060 8.177 1.00 0.00 C ATOM 420 CZ TYR A 29 2.967 -7.866 7.845 1.00 0.00 C ATOM 421 OH TYR A 29 3.112 -9.234 7.858 1.00 0.00 O ATOM 0 H TYR A 29 -0.080 -2.671 8.989 1.00 0.00 H new ATOM 0 HA TYR A 29 2.547 -3.451 9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.838 -3.318 7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.480 -3.139 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.662 -5.499 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.725 -5.059 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.917 -7.940 7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.985 -7.500 8.446 1.00 0.00 H new ATOM 0 HH TYR A 29 4.028 -9.463 8.120 1.00 0.00 H new ATOM 431 N TRP A 30 3.318 -1.066 9.623 1.00 0.00 N ATOM 432 CA TRP A 30 3.617 0.360 9.697 1.00 0.00 C ATOM 433 C TRP A 30 4.024 0.902 8.331 1.00 0.00 C ATOM 434 O TRP A 30 5.205 0.913 7.983 1.00 0.00 O ATOM 435 CB TRP A 30 4.731 0.616 10.713 1.00 0.00 C ATOM 436 CG TRP A 30 5.117 2.061 10.821 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.332 2.609 10.525 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.283 3.140 11.256 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.304 3.964 10.750 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.058 4.315 11.198 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.956 3.229 11.687 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.549 5.560 11.557 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.453 4.465 12.043 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.247 5.618 11.975 1.00 0.00 C ATOM 0 H TRP A 30 4.063 -1.672 9.967 1.00 0.00 H new ATOM 0 HA TRP A 30 2.714 0.879 10.019 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.409 0.259 11.691 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.609 0.033 10.434 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.189 2.058 10.167 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.085 4.605 10.607 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.335 2.347 11.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.160 6.449 11.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.430 4.544 12.380 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.823 6.570 12.258 1.00 0.00 H new ATOM 455 N PHE A 31 3.039 1.352 7.561 1.00 0.00 N ATOM 456 CA PHE A 31 3.294 1.895 6.232 1.00 0.00 C ATOM 457 C PHE A 31 3.872 3.304 6.323 1.00 0.00 C ATOM 458 O PHE A 31 3.251 4.208 6.883 1.00 0.00 O ATOM 459 CB PHE A 31 2.005 1.913 5.408 1.00 0.00 C ATOM 460 CG PHE A 31 1.669 0.584 4.793 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.086 -0.418 5.553 1.00 0.00 C ATOM 462 CD2 PHE A 31 1.934 0.337 3.456 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.776 -1.641 4.990 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.626 -0.884 2.887 1.00 0.00 C ATOM 465 CZ PHE A 31 1.045 -1.874 3.655 1.00 0.00 C ATOM 0 H PHE A 31 2.056 1.351 7.835 1.00 0.00 H new ATOM 0 HA PHE A 31 4.023 1.252 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.179 2.228 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.099 2.657 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.872 -0.241 6.597 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.387 1.108 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.324 -2.414 5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.839 -1.064 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.801 -2.829 3.213 1.00 0.00 H new ATOM 475 N VAL A 32 5.067 3.484 5.768 1.00 0.00 N ATOM 476 CA VAL A 32 5.730 4.783 5.785 1.00 0.00 C ATOM 477 C VAL A 32 6.086 5.237 4.374 1.00 0.00 C ATOM 478 O VAL A 32 7.213 5.048 3.915 1.00 0.00 O ATOM 479 CB VAL A 32 7.011 4.748 6.640 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.796 6.041 6.479 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.669 4.500 8.101 1.00 0.00 C ATOM 0 H VAL A 32 5.595 2.747 5.301 1.00 0.00 H new ATOM 0 HA VAL A 32 5.028 5.491 6.225 1.00 0.00 H new ATOM 0 HB VAL A 32 7.637 3.926 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.697 5.998 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.073 6.171 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.181 6.882 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.586 4.478 8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.023 5.299 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.153 3.545 8.197 1.00 0.00 H new ATOM 491 N LEU A 33 5.118 5.836 3.689 1.00 0.00 N ATOM 492 CA LEU A 33 5.329 6.319 2.329 1.00 0.00 C ATOM 493 C LEU A 33 6.283 7.508 2.315 1.00 0.00 C ATOM 494 O LEU A 33 5.952 8.591 2.800 1.00 0.00 O ATOM 495 CB LEU A 33 3.994 6.713 1.694 1.00 0.00 C ATOM 496 CG LEU A 33 4.076 7.391 0.326 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.092 6.352 -0.784 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.915 8.357 0.139 1.00 0.00 C ATOM 0 H LEU A 33 4.179 5.999 4.053 1.00 0.00 H new ATOM 0 HA LEU A 33 5.776 5.512 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.382 5.816 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.472 7.382 2.378 1.00 0.00 H new ATOM 0 HG LEU A 33 5.005 7.958 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.151 6.853 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.957 5.700 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.180 5.757 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.990 8.830 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.974 7.812 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.949 9.122 0.915 1.00 0.00 H new ATOM 510 N THR A 34 7.471 7.301 1.753 1.00 0.00 N ATOM 511 CA THR A 34 8.473 8.356 1.674 1.00 0.00 C ATOM 512 C THR A 34 8.758 8.737 0.226 1.00 0.00 C ATOM 513 O THR A 34 8.859 7.873 -0.645 1.00 0.00 O ATOM 514 CB THR A 34 9.790 7.931 2.349 1.00 0.00 C ATOM 515 OG1 THR A 34 10.227 6.673 1.823 1.00 0.00 O ATOM 516 CG2 THR A 34 9.616 7.823 3.857 1.00 0.00 C ATOM 0 H THR A 34 7.762 6.412 1.346 1.00 0.00 H new ATOM 0 HA THR A 34 8.065 9.219 2.200 1.00 0.00 H new ATOM 0 HB THR A 34 10.541 8.692 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.739 6.477 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.560 7.521 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.313 8.790 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.851 7.080 4.083 1.00 0.00 H new ATOM 524 N ALA A 35 8.886 10.036 -0.025 1.00 0.00 N ATOM 525 CA ALA A 35 9.162 10.531 -1.368 1.00 0.00 C ATOM 526 C ALA A 35 10.056 9.564 -2.137 1.00 0.00 C ATOM 527 O ALA A 35 9.829 9.300 -3.317 1.00 0.00 O ATOM 528 CB ALA A 35 9.805 11.908 -1.302 1.00 0.00 C ATOM 0 H ALA A 35 8.803 10.764 0.684 1.00 0.00 H new ATOM 0 HA ALA A 35 8.214 10.610 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.005 12.265 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.130 12.601 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.741 11.846 -0.747 1.00 0.00 H new ATOM 534 N GLU A 36 11.072 9.039 -1.459 1.00 0.00 N ATOM 535 CA GLU A 36 12.001 8.102 -2.081 1.00 0.00 C ATOM 536 C GLU A 36 11.285 6.819 -2.493 1.00 0.00 C ATOM 537 O GLU A 36 11.291 6.441 -3.664 1.00 0.00 O ATOM 538 CB GLU A 36 13.147 7.774 -1.122 1.00 0.00 C ATOM 539 CG GLU A 36 12.681 7.299 0.244 1.00 0.00 C ATOM 540 CD GLU A 36 13.652 7.661 1.351 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.383 8.662 1.195 1.00 0.00 O ATOM 542 OE2 GLU A 36 13.680 6.945 2.373 1.00 0.00 O ATOM 0 H GLU A 36 11.273 9.246 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 36 12.409 8.573 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.775 7.004 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.769 8.660 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.707 7.736 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.548 6.217 0.222 1.00 0.00 H new ATOM 549 N SER A 37 10.669 6.154 -1.521 1.00 0.00 N ATOM 550 CA SER A 37 9.953 4.911 -1.780 1.00 0.00 C ATOM 551 C SER A 37 8.940 4.626 -0.675 1.00 0.00 C ATOM 552 O SER A 37 8.819 5.391 0.284 1.00 0.00 O ATOM 553 CB SER A 37 10.936 3.745 -1.898 1.00 0.00 C ATOM 554 OG SER A 37 12.181 4.178 -2.420 1.00 0.00 O ATOM 0 H SER A 37 10.652 6.456 -0.547 1.00 0.00 H new ATOM 0 HA SER A 37 9.416 5.021 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.087 3.292 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.515 2.975 -2.544 1.00 0.00 H new ATOM 0 HG SER A 37 12.792 3.415 -2.484 1.00 0.00 H new ATOM 560 N LEU A 38 8.215 3.522 -0.815 1.00 0.00 N ATOM 561 CA LEU A 38 7.212 3.135 0.171 1.00 0.00 C ATOM 562 C LEU A 38 7.596 1.825 0.853 1.00 0.00 C ATOM 563 O LEU A 38 7.666 0.777 0.211 1.00 0.00 O ATOM 564 CB LEU A 38 5.842 2.994 -0.495 1.00 0.00 C ATOM 565 CG LEU A 38 4.875 2.009 0.163 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.337 2.579 1.466 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.733 1.670 -0.785 1.00 0.00 C ATOM 0 H LEU A 38 8.303 2.879 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 38 7.162 3.917 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.369 3.976 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.993 2.688 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 38 5.418 1.091 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.651 1.864 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.165 2.771 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.809 3.511 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.054 0.968 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.191 2.580 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.135 1.219 -1.692 1.00 0.00 H new ATOM 579 N SER A 39 7.842 1.893 2.157 1.00 0.00 N ATOM 580 CA SER A 39 8.220 0.714 2.927 1.00 0.00 C ATOM 581 C SER A 39 7.321 0.551 4.149 1.00 0.00 C ATOM 582 O SER A 39 6.865 1.534 4.733 1.00 0.00 O ATOM 583 CB SER A 39 9.682 0.811 3.364 1.00 0.00 C ATOM 584 OG SER A 39 10.535 1.019 2.252 1.00 0.00 O ATOM 0 H SER A 39 7.786 2.753 2.703 1.00 0.00 H new ATOM 0 HA SER A 39 8.097 -0.161 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.799 1.630 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.971 -0.103 3.882 1.00 0.00 H new ATOM 0 HG SER A 39 11.464 1.079 2.559 1.00 0.00 H new ATOM 590 N TRP A 40 7.071 -0.697 4.529 1.00 0.00 N ATOM 591 CA TRP A 40 6.227 -0.989 5.682 1.00 0.00 C ATOM 592 C TRP A 40 6.983 -1.818 6.714 1.00 0.00 C ATOM 593 O TRP A 40 7.538 -2.869 6.395 1.00 0.00 O ATOM 594 CB TRP A 40 4.964 -1.732 5.240 1.00 0.00 C ATOM 595 CG TRP A 40 5.241 -2.868 4.303 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.448 -4.175 4.638 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.342 -2.797 2.876 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.672 -4.922 3.506 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.612 -4.099 2.412 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.230 -1.761 1.946 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.771 -4.390 1.060 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.388 -2.050 0.604 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.655 -3.356 0.171 1.00 0.00 C ATOM 0 H TRP A 40 7.440 -1.522 4.056 1.00 0.00 H new ATOM 0 HA TRP A 40 5.942 -0.042 6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.449 -2.115 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.287 -1.028 4.756 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.437 -4.565 5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.853 -5.926 3.484 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.024 -0.752 2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.978 -5.395 0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.304 -1.256 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.771 -3.550 -0.885 1.00 0.00 H new ATOM 614 N TYR A 41 7.001 -1.338 7.953 1.00 0.00 N ATOM 615 CA TYR A 41 7.692 -2.034 9.032 1.00 0.00 C ATOM 616 C TYR A 41 6.696 -2.699 9.977 1.00 0.00 C ATOM 617 O TYR A 41 5.489 -2.691 9.733 1.00 0.00 O ATOM 618 CB TYR A 41 8.578 -1.060 9.811 1.00 0.00 C ATOM 619 CG TYR A 41 9.369 -0.122 8.927 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.756 0.956 8.300 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.729 -0.315 8.718 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.475 1.815 7.491 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.456 0.540 7.912 1.00 0.00 C ATOM 624 CZ TYR A 41 10.825 1.603 7.301 1.00 0.00 C ATOM 625 OH TYR A 41 11.545 2.456 6.496 1.00 0.00 O ATOM 0 H TYR A 41 6.545 -0.470 8.235 1.00 0.00 H new ATOM 0 HA TYR A 41 8.318 -2.808 8.588 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.953 -0.472 10.483 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.269 -1.629 10.433 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.700 1.125 8.448 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.226 -1.147 9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.983 2.648 7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.513 0.377 7.761 1.00 0.00 H new ATOM 0 HH TYR A 41 12.350 2.751 6.970 1.00 0.00 H new ATOM 635 N LYS A 42 7.210 -3.275 11.058 1.00 0.00 N ATOM 636 CA LYS A 42 6.368 -3.944 12.043 1.00 0.00 C ATOM 637 C LYS A 42 5.533 -2.933 12.822 1.00 0.00 C ATOM 638 O LYS A 42 4.304 -2.997 12.820 1.00 0.00 O ATOM 639 CB LYS A 42 7.229 -4.762 13.008 1.00 0.00 C ATOM 640 CG LYS A 42 7.500 -6.178 12.530 1.00 0.00 C ATOM 641 CD LYS A 42 8.178 -7.010 13.607 1.00 0.00 C ATOM 642 CE LYS A 42 7.864 -8.490 13.448 1.00 0.00 C ATOM 643 NZ LYS A 42 8.684 -9.119 12.377 1.00 0.00 N ATOM 0 H LYS A 42 8.207 -3.292 11.275 1.00 0.00 H new ATOM 0 HA LYS A 42 5.692 -4.614 11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.179 -4.250 13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.733 -4.803 13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.562 -6.651 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.130 -6.149 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.256 -6.859 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.851 -6.671 14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.045 -9.003 14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.806 -8.614 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.057 -9.523 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.298 -8.401 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.270 -9.874 12.787 1.00 0.00 H new ATOM 657 N ASP A 43 6.209 -2.001 13.485 1.00 0.00 N ATOM 658 CA ASP A 43 5.529 -0.974 14.266 1.00 0.00 C ATOM 659 C ASP A 43 5.951 0.421 13.815 1.00 0.00 C ATOM 660 O ASP A 43 6.726 0.569 12.871 1.00 0.00 O ATOM 661 CB ASP A 43 5.827 -1.155 15.755 1.00 0.00 C ATOM 662 CG ASP A 43 6.059 -2.606 16.127 1.00 0.00 C ATOM 663 OD1 ASP A 43 7.072 -3.180 15.676 1.00 0.00 O ATOM 664 OD2 ASP A 43 5.227 -3.168 16.870 1.00 0.00 O ATOM 0 H ASP A 43 7.227 -1.935 13.497 1.00 0.00 H new ATOM 0 HA ASP A 43 4.456 -1.079 14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.708 -0.570 16.020 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.995 -0.762 16.339 1.00 0.00 H new ATOM 669 N GLU A 44 5.436 1.439 14.497 1.00 0.00 N ATOM 670 CA GLU A 44 5.759 2.821 14.165 1.00 0.00 C ATOM 671 C GLU A 44 7.040 3.264 14.865 1.00 0.00 C ATOM 672 O GLU A 44 7.227 4.447 15.149 1.00 0.00 O ATOM 673 CB GLU A 44 4.605 3.747 14.557 1.00 0.00 C ATOM 674 CG GLU A 44 4.489 3.974 16.054 1.00 0.00 C ATOM 675 CD GLU A 44 3.980 2.750 16.792 1.00 0.00 C ATOM 676 OE1 GLU A 44 2.746 2.601 16.912 1.00 0.00 O ATOM 677 OE2 GLU A 44 4.816 1.943 17.250 1.00 0.00 O ATOM 0 H GLU A 44 4.794 1.333 15.282 1.00 0.00 H new ATOM 0 HA GLU A 44 5.914 2.881 13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.738 4.709 14.061 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.670 3.325 14.189 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.464 4.254 16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.816 4.811 16.240 1.00 0.00 H new ATOM 684 N GLU A 45 7.919 2.305 15.141 1.00 0.00 N ATOM 685 CA GLU A 45 9.182 2.596 15.809 1.00 0.00 C ATOM 686 C GLU A 45 10.349 2.503 14.831 1.00 0.00 C ATOM 687 O GLU A 45 11.485 2.833 15.171 1.00 0.00 O ATOM 688 CB GLU A 45 9.401 1.630 16.975 1.00 0.00 C ATOM 689 CG GLU A 45 8.270 1.634 17.990 1.00 0.00 C ATOM 690 CD GLU A 45 8.700 1.106 19.345 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.045 -0.090 19.434 1.00 0.00 O ATOM 692 OE2 GLU A 45 8.692 1.891 20.316 1.00 0.00 O ATOM 0 H GLU A 45 7.779 1.321 14.912 1.00 0.00 H new ATOM 0 HA GLU A 45 9.134 3.615 16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.521 0.621 16.582 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.332 1.888 17.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.892 2.650 18.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.446 1.028 17.613 1.00 0.00 H new ATOM 699 N GLU A 46 10.060 2.051 13.614 1.00 0.00 N ATOM 700 CA GLU A 46 11.086 1.913 12.587 1.00 0.00 C ATOM 701 C GLU A 46 12.271 1.105 13.107 1.00 0.00 C ATOM 702 O GLU A 46 13.415 1.557 13.057 1.00 0.00 O ATOM 703 CB GLU A 46 11.559 3.291 12.120 1.00 0.00 C ATOM 704 CG GLU A 46 10.585 3.984 11.182 1.00 0.00 C ATOM 705 CD GLU A 46 11.019 5.393 10.828 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.107 6.235 11.746 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.269 5.655 9.633 1.00 0.00 O ATOM 0 H GLU A 46 9.125 1.775 13.316 1.00 0.00 H new ATOM 0 HA GLU A 46 10.649 1.381 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.723 3.924 12.992 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.521 3.185 11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.487 3.398 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.600 4.017 11.647 1.00 0.00 H new ATOM 714 N LYS A 47 11.989 -0.093 13.608 1.00 0.00 N ATOM 715 CA LYS A 47 13.030 -0.966 14.137 1.00 0.00 C ATOM 716 C LYS A 47 13.543 -1.916 13.059 1.00 0.00 C ATOM 717 O LYS A 47 14.749 -2.030 12.845 1.00 0.00 O ATOM 718 CB LYS A 47 12.496 -1.768 15.326 1.00 0.00 C ATOM 719 CG LYS A 47 11.737 -0.925 16.336 1.00 0.00 C ATOM 720 CD LYS A 47 12.664 -0.361 17.400 1.00 0.00 C ATOM 721 CE LYS A 47 12.787 -1.302 18.588 1.00 0.00 C ATOM 722 NZ LYS A 47 11.749 -1.031 19.621 1.00 0.00 N ATOM 0 H LYS A 47 11.047 -0.482 13.659 1.00 0.00 H new ATOM 0 HA LYS A 47 13.859 -0.341 14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.840 -2.556 14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.331 -2.257 15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.231 -0.107 15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.964 -1.531 16.809 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.650 -0.186 16.969 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.288 0.605 17.737 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.698 -2.333 18.245 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.777 -1.198 19.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.542 -1.906 20.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.098 -0.308 20.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.882 -0.689 19.160 1.00 0.00 H new ATOM 736 N GLU A 48 12.620 -2.593 12.384 1.00 0.00 N ATOM 737 CA GLU A 48 12.981 -3.531 11.329 1.00 0.00 C ATOM 738 C GLU A 48 12.085 -3.347 10.107 1.00 0.00 C ATOM 739 O GLU A 48 10.869 -3.202 10.230 1.00 0.00 O ATOM 740 CB GLU A 48 12.878 -4.971 11.838 1.00 0.00 C ATOM 741 CG GLU A 48 11.449 -5.432 12.073 1.00 0.00 C ATOM 742 CD GLU A 48 11.361 -6.908 12.411 1.00 0.00 C ATOM 743 OE1 GLU A 48 11.647 -7.269 13.572 1.00 0.00 O ATOM 744 OE2 GLU A 48 11.005 -7.701 11.515 1.00 0.00 O ATOM 0 H GLU A 48 11.617 -2.509 12.549 1.00 0.00 H new ATOM 0 HA GLU A 48 14.012 -3.329 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.352 -5.637 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.437 -5.059 12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.012 -4.850 12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.855 -5.231 11.181 1.00 0.00 H new ATOM 751 N LYS A 49 12.695 -3.354 8.927 1.00 0.00 N ATOM 752 CA LYS A 49 11.956 -3.189 7.681 1.00 0.00 C ATOM 753 C LYS A 49 11.677 -4.540 7.030 1.00 0.00 C ATOM 754 O LYS A 49 12.594 -5.325 6.788 1.00 0.00 O ATOM 755 CB LYS A 49 12.738 -2.297 6.714 1.00 0.00 C ATOM 756 CG LYS A 49 11.881 -1.695 5.614 1.00 0.00 C ATOM 757 CD LYS A 49 12.719 -1.291 4.413 1.00 0.00 C ATOM 758 CE LYS A 49 13.823 -0.320 4.805 1.00 0.00 C ATOM 759 NZ LYS A 49 13.329 1.083 4.873 1.00 0.00 N ATOM 0 H LYS A 49 13.701 -3.472 8.807 1.00 0.00 H new ATOM 0 HA LYS A 49 11.003 -2.714 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.210 -1.492 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.539 -2.881 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.124 -2.416 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.352 -0.823 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.158 -2.179 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.079 -0.831 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.233 -0.608 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.636 -0.384 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.129 1.725 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.869 1.333 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.643 1.172 5.650 1.00 0.00 H new ATOM 773 N LYS A 50 10.406 -4.804 6.749 1.00 0.00 N ATOM 774 CA LYS A 50 10.005 -6.059 6.123 1.00 0.00 C ATOM 775 C LYS A 50 10.403 -6.085 4.651 1.00 0.00 C ATOM 776 O LYS A 50 11.021 -7.040 4.182 1.00 0.00 O ATOM 777 CB LYS A 50 8.494 -6.260 6.258 1.00 0.00 C ATOM 778 CG LYS A 50 7.932 -5.780 7.585 1.00 0.00 C ATOM 779 CD LYS A 50 8.714 -6.346 8.759 1.00 0.00 C ATOM 780 CE LYS A 50 8.200 -7.720 9.159 1.00 0.00 C ATOM 781 NZ LYS A 50 7.031 -7.630 10.077 1.00 0.00 N ATOM 0 H LYS A 50 9.635 -4.166 6.945 1.00 0.00 H new ATOM 0 HA LYS A 50 10.521 -6.872 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.992 -5.731 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.265 -7.319 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.959 -4.691 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.886 -6.076 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.770 -6.413 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.640 -5.667 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.918 -8.276 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.000 -8.280 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.319 -7.913 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.679 -6.651 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.277 -8.262 9.741 1.00 0.00 H new ATOM 795 N TYR A 51 10.047 -5.029 3.928 1.00 0.00 N ATOM 796 CA TYR A 51 10.366 -4.931 2.509 1.00 0.00 C ATOM 797 C TYR A 51 10.178 -3.503 2.006 1.00 0.00 C ATOM 798 O TYR A 51 9.402 -2.732 2.569 1.00 0.00 O ATOM 799 CB TYR A 51 9.489 -5.888 1.700 1.00 0.00 C ATOM 800 CG TYR A 51 9.936 -6.053 0.265 1.00 0.00 C ATOM 801 CD1 TYR A 51 10.874 -7.016 -0.085 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.420 -5.245 -0.741 1.00 0.00 C ATOM 803 CE1 TYR A 51 11.285 -7.170 -1.395 1.00 0.00 C ATOM 804 CE2 TYR A 51 9.824 -5.392 -2.053 1.00 0.00 C ATOM 805 CZ TYR A 51 10.758 -6.356 -2.375 1.00 0.00 C ATOM 806 OH TYR A 51 11.164 -6.506 -3.681 1.00 0.00 O ATOM 0 H TYR A 51 9.537 -4.229 4.302 1.00 0.00 H new ATOM 0 HA TYR A 51 11.412 -5.209 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.487 -6.864 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.462 -5.524 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 51 11.289 -7.655 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.690 -4.489 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.015 -7.924 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.412 -4.757 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 51 10.696 -5.856 -4.246 1.00 0.00 H new ATOM 816 N MET A 52 10.895 -3.159 0.940 1.00 0.00 N ATOM 817 CA MET A 52 10.807 -1.825 0.359 1.00 0.00 C ATOM 818 C MET A 52 10.270 -1.888 -1.068 1.00 0.00 C ATOM 819 O MET A 52 10.653 -2.761 -1.848 1.00 0.00 O ATOM 820 CB MET A 52 12.179 -1.148 0.370 1.00 0.00 C ATOM 821 CG MET A 52 12.195 0.205 -0.321 1.00 0.00 C ATOM 822 SD MET A 52 13.849 0.701 -0.839 1.00 0.00 S ATOM 823 CE MET A 52 13.806 0.264 -2.575 1.00 0.00 C ATOM 0 H MET A 52 11.543 -3.786 0.462 1.00 0.00 H new ATOM 0 HA MET A 52 10.116 -1.238 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.505 -1.023 1.403 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.902 -1.803 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.541 0.171 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.789 0.958 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.762 0.511 -3.036 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.620 -0.805 -2.677 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.010 0.819 -3.070 1.00 0.00 H new ATOM 833 N LEU A 53 9.382 -0.959 -1.403 1.00 0.00 N ATOM 834 CA LEU A 53 8.792 -0.909 -2.736 1.00 0.00 C ATOM 835 C LEU A 53 8.821 0.511 -3.291 1.00 0.00 C ATOM 836 O LEU A 53 8.452 1.474 -2.619 1.00 0.00 O ATOM 837 CB LEU A 53 7.352 -1.425 -2.698 1.00 0.00 C ATOM 838 CG LEU A 53 6.842 -2.087 -3.978 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.495 -3.447 -4.173 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.327 -2.221 -3.943 1.00 0.00 C ATOM 0 H LEU A 53 9.054 -0.230 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 53 9.383 -1.548 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.266 -2.143 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.694 -0.590 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 53 7.111 -1.453 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.120 -3.903 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.576 -3.325 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.258 -4.089 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.982 -2.694 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.035 -2.832 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.876 -1.233 -3.853 1.00 0.00 H new ATOM 852 N PRO A 54 9.267 0.646 -4.549 1.00 0.00 N ATOM 853 CA PRO A 54 9.351 1.944 -5.224 1.00 0.00 C ATOM 854 C PRO A 54 7.977 2.521 -5.546 1.00 0.00 C ATOM 855 O PRO A 54 6.952 1.880 -5.310 1.00 0.00 O ATOM 856 CB PRO A 54 10.112 1.624 -6.514 1.00 0.00 C ATOM 857 CG PRO A 54 9.842 0.181 -6.765 1.00 0.00 C ATOM 858 CD PRO A 54 9.722 -0.459 -5.410 1.00 0.00 C ATOM 0 HA PRO A 54 9.836 2.696 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.765 2.242 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.180 1.813 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.926 0.050 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.649 -0.273 -7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.008 -1.283 -5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.675 -0.865 -5.072 1.00 0.00 H new ATOM 866 N LEU A 55 7.962 3.735 -6.086 1.00 0.00 N ATOM 867 CA LEU A 55 6.712 4.399 -6.440 1.00 0.00 C ATOM 868 C LEU A 55 6.719 4.826 -7.904 1.00 0.00 C ATOM 869 O LEU A 55 6.070 5.803 -8.279 1.00 0.00 O ATOM 870 CB LEU A 55 6.486 5.617 -5.543 1.00 0.00 C ATOM 871 CG LEU A 55 6.829 5.434 -4.064 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.794 6.770 -3.338 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.873 4.445 -3.413 1.00 0.00 C ATOM 0 H LEU A 55 8.801 4.279 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 55 5.898 3.690 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.078 6.445 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.439 5.910 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 55 7.840 5.032 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.041 6.620 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.520 7.448 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.796 7.202 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.132 4.327 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.852 4.818 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.949 3.481 -3.916 1.00 0.00 H new ATOM 885 N ASP A 56 7.455 4.087 -8.727 1.00 0.00 N ATOM 886 CA ASP A 56 7.544 4.388 -10.152 1.00 0.00 C ATOM 887 C ASP A 56 6.902 3.280 -10.982 1.00 0.00 C ATOM 888 O ASP A 56 6.362 3.531 -12.058 1.00 0.00 O ATOM 889 CB ASP A 56 9.005 4.571 -10.566 1.00 0.00 C ATOM 890 CG ASP A 56 9.145 5.318 -11.877 1.00 0.00 C ATOM 891 OD1 ASP A 56 8.299 5.110 -12.773 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.101 6.111 -12.008 1.00 0.00 O ATOM 0 H ASP A 56 7.998 3.276 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 56 7.003 5.316 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.536 5.113 -9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.480 3.594 -10.655 1.00 0.00 H new ATOM 897 N ASN A 57 6.967 2.053 -10.474 1.00 0.00 N ATOM 898 CA ASN A 57 6.394 0.907 -11.169 1.00 0.00 C ATOM 899 C ASN A 57 5.120 0.432 -10.477 1.00 0.00 C ATOM 900 O ASN A 57 4.764 -0.745 -10.546 1.00 0.00 O ATOM 901 CB ASN A 57 7.409 -0.236 -11.233 1.00 0.00 C ATOM 902 CG ASN A 57 8.380 -0.214 -10.069 1.00 0.00 C ATOM 903 OD1 ASN A 57 8.328 -1.071 -9.186 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.272 0.769 -10.061 1.00 0.00 N ATOM 0 H ASN A 57 7.411 1.828 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 57 6.141 1.218 -12.183 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.879 -1.188 -11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.966 -0.172 -12.168 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.951 0.836 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.279 1.458 -10.813 1.00 0.00 H new ATOM 911 N LEU A 58 4.437 1.356 -9.809 1.00 0.00 N ATOM 912 CA LEU A 58 3.201 1.033 -9.104 1.00 0.00 C ATOM 913 C LEU A 58 2.054 1.918 -9.583 1.00 0.00 C ATOM 914 O LEU A 58 2.273 3.023 -10.078 1.00 0.00 O ATOM 915 CB LEU A 58 3.393 1.198 -7.596 1.00 0.00 C ATOM 916 CG LEU A 58 4.547 0.410 -6.976 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.559 0.580 -5.465 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.447 -1.063 -7.347 1.00 0.00 C ATOM 0 H LEU A 58 4.718 2.334 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 58 2.949 -0.005 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.546 2.256 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.469 0.903 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 58 5.483 0.802 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.387 0.012 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.679 1.635 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.619 0.215 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.276 -1.609 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.504 -1.468 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.489 -1.169 -8.431 1.00 0.00 H new ATOM 930 N LYS A 59 0.830 1.425 -9.429 1.00 0.00 N ATOM 931 CA LYS A 59 -0.353 2.171 -9.841 1.00 0.00 C ATOM 932 C LYS A 59 -1.522 1.900 -8.900 1.00 0.00 C ATOM 933 O LYS A 59 -1.618 0.825 -8.307 1.00 0.00 O ATOM 934 CB LYS A 59 -0.742 1.799 -11.274 1.00 0.00 C ATOM 935 CG LYS A 59 -1.777 2.729 -11.884 1.00 0.00 C ATOM 936 CD LYS A 59 -1.122 3.892 -12.611 1.00 0.00 C ATOM 937 CE LYS A 59 -0.866 3.562 -14.073 1.00 0.00 C ATOM 938 NZ LYS A 59 0.222 4.400 -14.648 1.00 0.00 N ATOM 0 H LYS A 59 0.631 0.511 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.114 3.234 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.152 1.805 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.130 0.781 -11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.404 2.171 -12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.431 3.111 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.761 4.772 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.180 4.143 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.601 2.509 -14.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.781 3.713 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.518 4.005 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.124 5.371 -14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.033 4.410 -13.997 1.00 0.00 H new ATOM 952 N ILE A 60 -2.409 2.881 -8.769 1.00 0.00 N ATOM 953 CA ILE A 60 -3.573 2.746 -7.901 1.00 0.00 C ATOM 954 C ILE A 60 -4.867 2.789 -8.707 1.00 0.00 C ATOM 955 O ILE A 60 -5.047 3.653 -9.566 1.00 0.00 O ATOM 956 CB ILE A 60 -3.610 3.855 -6.833 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.338 3.818 -5.984 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.844 3.705 -5.956 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.215 4.984 -5.028 1.00 0.00 C ATOM 0 H ILE A 60 -2.344 3.777 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.488 1.779 -7.406 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.661 4.821 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.318 2.889 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.471 3.807 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.856 4.496 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.740 3.776 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.822 2.735 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.290 4.892 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.203 5.917 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.063 4.984 -4.344 1.00 0.00 H new ATOM 971 N ARG A 61 -5.765 1.852 -8.423 1.00 0.00 N ATOM 972 CA ARG A 61 -7.044 1.782 -9.121 1.00 0.00 C ATOM 973 C ARG A 61 -8.133 1.231 -8.206 1.00 0.00 C ATOM 974 O ARG A 61 -7.892 0.317 -7.417 1.00 0.00 O ATOM 975 CB ARG A 61 -6.920 0.907 -10.370 1.00 0.00 C ATOM 976 CG ARG A 61 -6.478 -0.517 -10.074 1.00 0.00 C ATOM 977 CD ARG A 61 -6.449 -1.365 -11.337 1.00 0.00 C ATOM 978 NE ARG A 61 -7.749 -1.965 -11.623 1.00 0.00 N ATOM 979 CZ ARG A 61 -8.246 -2.997 -10.951 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.555 -3.541 -9.958 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.437 -3.488 -11.270 1.00 0.00 N ATOM 0 H ARG A 61 -5.631 1.131 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.322 2.792 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.882 0.881 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.206 1.365 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.487 -0.505 -9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.156 -0.966 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.141 -0.748 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.703 -2.152 -11.228 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.306 -1.570 -12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.639 -3.167 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.939 -4.334 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.972 -3.073 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.817 -4.281 -10.753 1.00 0.00 H new ATOM 995 N ASP A 62 -9.332 1.793 -8.318 1.00 0.00 N ATOM 996 CA ASP A 62 -10.459 1.357 -7.501 1.00 0.00 C ATOM 997 C ASP A 62 -10.694 -0.142 -7.654 1.00 0.00 C ATOM 998 O ASP A 62 -10.610 -0.686 -8.755 1.00 0.00 O ATOM 999 CB ASP A 62 -11.724 2.126 -7.889 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.684 2.282 -6.727 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -12.322 2.964 -5.744 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.799 1.725 -6.800 1.00 0.00 O ATOM 0 H ASP A 62 -9.548 2.551 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.221 1.564 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.447 3.112 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.226 1.606 -8.705 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.987 -0.807 -6.540 1.00 0.00 N ATOM 1008 CA VAL A 63 -11.233 -2.244 -6.550 1.00 0.00 C ATOM 1009 C VAL A 63 -12.680 -2.555 -6.182 1.00 0.00 C ATOM 1010 O VAL A 63 -13.194 -2.066 -5.177 1.00 0.00 O ATOM 1011 CB VAL A 63 -10.297 -2.980 -5.574 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.471 -2.446 -4.160 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -10.551 -4.479 -5.621 1.00 0.00 C ATOM 0 H VAL A 63 -11.060 -0.373 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.035 -2.593 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.267 -2.799 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.801 -2.979 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.235 -1.382 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.502 -2.594 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.881 -4.984 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.585 -4.682 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.370 -4.847 -6.631 1.00 0.00 H new ATOM 1023 N GLU A 64 -13.330 -3.374 -7.003 1.00 0.00 N ATOM 1024 CA GLU A 64 -14.718 -3.751 -6.764 1.00 0.00 C ATOM 1025 C GLU A 64 -14.808 -5.165 -6.197 1.00 0.00 C ATOM 1026 O GLU A 64 -14.003 -6.033 -6.533 1.00 0.00 O ATOM 1027 CB GLU A 64 -15.526 -3.657 -8.060 1.00 0.00 C ATOM 1028 CG GLU A 64 -15.771 -2.230 -8.523 1.00 0.00 C ATOM 1029 CD GLU A 64 -16.954 -1.586 -7.828 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -18.082 -2.102 -7.977 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -16.753 -0.567 -7.135 1.00 0.00 O ATOM 0 H GLU A 64 -12.918 -3.789 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.135 -3.058 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.001 -4.200 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.486 -4.153 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.877 -1.634 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.940 -2.225 -9.600 1.00 0.00 H new ATOM 1038 N LYS A 65 -15.793 -5.388 -5.334 1.00 0.00 N ATOM 1039 CA LYS A 65 -15.991 -6.696 -4.719 1.00 0.00 C ATOM 1040 C LYS A 65 -17.356 -7.268 -5.086 1.00 0.00 C ATOM 1041 O LYS A 65 -17.468 -8.428 -5.481 1.00 0.00 O ATOM 1042 CB LYS A 65 -15.861 -6.592 -3.198 1.00 0.00 C ATOM 1043 CG LYS A 65 -15.865 -7.937 -2.494 1.00 0.00 C ATOM 1044 CD LYS A 65 -14.459 -8.496 -2.351 1.00 0.00 C ATOM 1045 CE LYS A 65 -14.363 -9.472 -1.189 1.00 0.00 C ATOM 1046 NZ LYS A 65 -14.536 -8.791 0.124 1.00 0.00 N ATOM 0 H LYS A 65 -16.467 -4.680 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.221 -7.369 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.937 -6.067 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.681 -5.987 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.317 -7.831 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.482 -8.640 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.170 -8.998 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.755 -7.678 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.124 -10.245 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.395 -9.972 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.095 -9.363 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.084 -7.855 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.550 -8.679 0.326 1.00 0.00 H new ATOM 1060 N GLY A 66 -18.393 -6.446 -4.953 1.00 0.00 N ATOM 1061 CA GLY A 66 -19.737 -6.889 -5.276 1.00 0.00 C ATOM 1062 C GLY A 66 -20.638 -5.746 -5.698 1.00 0.00 C ATOM 1063 O GLY A 66 -21.810 -5.699 -5.323 1.00 0.00 O ATOM 0 H GLY A 66 -18.326 -5.482 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.691 -7.626 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.170 -7.388 -4.409 1.00 0.00 H new ATOM 1067 N PHE A 67 -20.091 -4.821 -6.479 1.00 0.00 N ATOM 1068 CA PHE A 67 -20.853 -3.670 -6.950 1.00 0.00 C ATOM 1069 C PHE A 67 -21.654 -3.045 -5.812 1.00 0.00 C ATOM 1070 O PHE A 67 -22.801 -2.638 -5.996 1.00 0.00 O ATOM 1071 CB PHE A 67 -21.794 -4.085 -8.084 1.00 0.00 C ATOM 1072 CG PHE A 67 -22.362 -2.922 -8.846 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -21.527 -1.974 -9.414 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -23.732 -2.778 -8.996 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -22.047 -0.903 -10.116 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -24.258 -1.709 -9.697 1.00 0.00 C ATOM 1077 CZ PHE A 67 -23.414 -0.771 -10.259 1.00 0.00 C ATOM 0 H PHE A 67 -19.123 -4.846 -6.799 1.00 0.00 H new ATOM 0 HA PHE A 67 -20.148 -2.927 -7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -21.254 -4.733 -8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -22.613 -4.673 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -20.457 -2.073 -9.307 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -24.396 -3.509 -8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -21.385 -0.170 -10.552 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -25.328 -1.607 -9.805 1.00 0.00 H new ATOM 0 HZ PHE A 67 -23.822 0.064 -10.809 1.00 0.00 H new ATOM 1087 N MET A 68 -21.041 -2.973 -4.635 1.00 0.00 N ATOM 1088 CA MET A 68 -21.696 -2.396 -3.467 1.00 0.00 C ATOM 1089 C MET A 68 -20.694 -1.642 -2.598 1.00 0.00 C ATOM 1090 O MET A 68 -19.483 -1.784 -2.766 1.00 0.00 O ATOM 1091 CB MET A 68 -22.377 -3.493 -2.645 1.00 0.00 C ATOM 1092 CG MET A 68 -21.408 -4.517 -2.077 1.00 0.00 C ATOM 1093 SD MET A 68 -22.158 -5.550 -0.804 1.00 0.00 S ATOM 1094 CE MET A 68 -23.504 -6.296 -1.721 1.00 0.00 C ATOM 0 H MET A 68 -20.092 -3.307 -4.465 1.00 0.00 H new ATOM 0 HA MET A 68 -22.450 -1.691 -3.816 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.928 -3.032 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.107 -4.005 -3.272 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.041 -5.151 -2.884 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.544 -4.001 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.941 -7.103 -1.133 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.265 -5.544 -1.926 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.126 -6.696 -2.662 1.00 0.00 H new ATOM 1104 N SER A 69 -21.207 -0.841 -1.670 1.00 0.00 N ATOM 1105 CA SER A 69 -20.357 -0.061 -0.778 1.00 0.00 C ATOM 1106 C SER A 69 -19.699 -0.958 0.266 1.00 0.00 C ATOM 1107 O SER A 69 -20.250 -1.989 0.651 1.00 0.00 O ATOM 1108 CB SER A 69 -21.174 1.032 -0.087 1.00 0.00 C ATOM 1109 OG SER A 69 -20.328 2.010 0.494 1.00 0.00 O ATOM 0 H SER A 69 -22.207 -0.715 -1.516 1.00 0.00 H new ATOM 0 HA SER A 69 -19.574 0.405 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 69 -21.839 1.505 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.804 0.587 0.683 1.00 0.00 H new ATOM 0 HG SER A 69 -20.874 2.699 0.928 1.00 0.00 H new ATOM 1115 N ASN A 70 -18.517 -0.556 0.721 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.782 -1.323 1.721 1.00 0.00 C ATOM 1117 C ASN A 70 -16.522 -0.581 2.158 1.00 0.00 C ATOM 1118 O ASN A 70 -16.177 0.460 1.600 1.00 0.00 O ATOM 1119 CB ASN A 70 -17.411 -2.700 1.167 1.00 0.00 C ATOM 1120 CG ASN A 70 -16.927 -2.634 -0.269 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -15.897 -1.830 -0.509 1.00 0.00 O flip ATOM 1122 ND2 ASN A 70 -17.472 -3.298 -1.150 1.00 0.00 N flip ATOM 0 H ASN A 70 -18.048 0.296 0.414 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.427 -1.451 2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -16.633 -3.142 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -18.278 -3.358 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -18.261 -3.902 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -17.135 -3.244 -2.111 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.839 -1.126 3.159 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.616 -0.518 3.670 1.00 0.00 C ATOM 1131 C LYS A 71 -13.813 0.121 2.542 1.00 0.00 C ATOM 1132 O LYS A 71 -13.769 -0.399 1.427 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.763 -1.567 4.388 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.991 -2.473 3.443 1.00 0.00 C ATOM 1135 CD LYS A 71 -11.775 -3.080 4.122 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.100 -4.428 4.747 1.00 0.00 C ATOM 1137 NZ LYS A 71 -12.548 -5.417 3.729 1.00 0.00 N ATOM 0 H LYS A 71 -16.112 -1.987 3.632 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.896 0.262 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.059 -1.061 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.408 -2.179 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.644 -3.269 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.675 -1.904 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.972 -3.199 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.409 -2.400 4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.219 -4.811 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.880 -4.302 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.266 -6.373 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.583 -5.374 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.108 -5.196 2.813 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.178 1.250 2.840 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.374 1.959 1.850 1.00 0.00 C ATOM 1153 C HIS A 72 -11.024 1.275 1.657 1.00 0.00 C ATOM 1154 O HIS A 72 -10.104 1.459 2.454 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.167 3.412 2.277 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.419 4.081 2.753 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.015 4.084 3.968 1.00 0.00 N flip ATOM 1158 CD2 HIS A 72 -14.213 4.860 1.937 1.00 0.00 C flip ATOM 1159 CE1 HIS A 72 -15.146 4.856 3.866 1.00 0.00 C flip ATOM 1160 NE2 HIS A 72 -15.242 5.313 2.631 1.00 0.00 N flip ATOM 0 H HIS A 72 -13.204 1.694 3.758 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.910 1.940 0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.422 3.446 3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.761 3.975 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.023 5.067 0.894 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.843 5.057 4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.985 5.914 2.273 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.912 0.486 0.593 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.675 -0.225 0.295 1.00 0.00 C ATOM 1171 C VAL A 73 -9.271 -0.036 -1.163 1.00 0.00 C ATOM 1172 O VAL A 73 -10.080 -0.222 -2.072 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.808 -1.731 0.589 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.005 -2.315 -0.145 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.530 -2.462 0.207 1.00 0.00 C ATOM 0 H VAL A 73 -11.664 0.323 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.904 0.196 0.940 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.969 -1.862 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.083 -3.380 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.914 -1.810 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.878 -2.175 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.641 -3.525 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.336 -2.324 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.696 -2.061 0.782 1.00 0.00 H new ATOM 1185 N PHE A 74 -8.013 0.333 -1.379 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.500 0.548 -2.728 1.00 0.00 C ATOM 1187 C PHE A 74 -6.459 -0.508 -3.088 1.00 0.00 C ATOM 1188 O PHE A 74 -5.671 -0.931 -2.244 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.888 1.945 -2.847 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.832 2.227 -1.817 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.174 2.409 -0.487 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.497 2.309 -2.179 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.205 2.670 0.463 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.523 2.569 -1.233 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.877 2.748 0.089 1.00 0.00 C ATOM 0 H PHE A 74 -7.330 0.489 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.334 0.464 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.455 2.060 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.680 2.689 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.210 2.346 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.214 2.168 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.485 2.813 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.486 2.632 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.117 2.949 0.830 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.465 -0.930 -4.348 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.522 -1.935 -4.822 1.00 0.00 C ATOM 1207 C ALA A 75 -4.348 -1.287 -5.548 1.00 0.00 C ATOM 1208 O ALA A 75 -4.513 -0.283 -6.242 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.224 -2.931 -5.733 1.00 0.00 C ATOM 0 H ALA A 75 -7.113 -0.591 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.130 -2.467 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.507 -3.675 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.024 -3.426 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.644 -2.406 -6.591 1.00 0.00 H new ATOM 1215 N ILE A 76 -3.163 -1.867 -5.384 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.963 -1.345 -6.024 1.00 0.00 C ATOM 1217 C ILE A 76 -1.334 -2.386 -6.944 1.00 0.00 C ATOM 1218 O ILE A 76 -0.872 -3.433 -6.491 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.918 -0.898 -4.984 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.462 0.264 -4.150 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.379 -0.502 -5.673 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.505 0.738 -3.079 1.00 0.00 C ATOM 0 H ILE A 76 -3.009 -2.698 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.270 -0.481 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.710 -1.734 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.696 1.098 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.397 -0.042 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.107 -0.189 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.772 -1.355 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.189 0.321 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.956 1.563 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.290 -0.082 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.422 1.076 -3.543 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.318 -2.090 -8.240 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.745 -3.000 -9.225 1.00 0.00 C ATOM 1236 C PHE A 77 0.476 -2.378 -9.895 1.00 0.00 C ATOM 1237 O PHE A 77 0.617 -1.156 -9.942 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.789 -3.366 -10.281 1.00 0.00 C ATOM 1239 CG PHE A 77 -2.070 -2.257 -11.256 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.271 -2.083 -12.375 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.131 -1.391 -11.053 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.526 -1.063 -13.272 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.391 -0.369 -11.947 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.589 -0.206 -13.059 1.00 0.00 C ATOM 0 H PHE A 77 -1.695 -1.227 -8.632 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.431 -3.905 -8.706 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.447 -4.243 -10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.717 -3.644 -9.782 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.440 -2.751 -12.548 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.763 -1.515 -10.186 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.895 -0.936 -14.139 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.220 0.301 -11.776 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.792 0.589 -13.761 1.00 0.00 H new ATOM 1254 N ASN A 78 1.358 -3.227 -10.411 1.00 0.00 N ATOM 1255 CA ASN A 78 2.569 -2.762 -11.078 1.00 0.00 C ATOM 1256 C ASN A 78 2.330 -2.579 -12.574 1.00 0.00 C ATOM 1257 O ASN A 78 1.982 -3.526 -13.279 1.00 0.00 O ATOM 1258 CB ASN A 78 3.714 -3.750 -10.850 1.00 0.00 C ATOM 1259 CG ASN A 78 5.018 -3.275 -11.462 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.033 -2.704 -12.552 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.121 -3.511 -10.761 1.00 0.00 N ATOM 0 H ASN A 78 1.257 -4.242 -10.380 1.00 0.00 H new ATOM 0 HA ASN A 78 2.841 -1.797 -10.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.852 -3.901 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.446 -4.717 -11.277 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.028 -3.215 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.061 -3.988 -9.861 1.00 0.00 H new ATOM 1268 N THR A 79 2.521 -1.353 -13.052 1.00 0.00 N ATOM 1269 CA THR A 79 2.326 -1.045 -14.463 1.00 0.00 C ATOM 1270 C THR A 79 3.273 -1.858 -15.339 1.00 0.00 C ATOM 1271 O THR A 79 2.900 -2.304 -16.423 1.00 0.00 O ATOM 1272 CB THR A 79 2.542 0.454 -14.746 1.00 0.00 C ATOM 1273 OG1 THR A 79 3.850 0.849 -14.318 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.493 1.295 -14.035 1.00 0.00 C ATOM 0 H THR A 79 2.810 -0.558 -12.483 1.00 0.00 H new ATOM 0 HA THR A 79 1.296 -1.308 -14.705 1.00 0.00 H new ATOM 0 HB THR A 79 2.448 0.617 -15.820 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.981 1.803 -14.503 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.666 2.350 -14.249 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.501 1.011 -14.385 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.560 1.128 -12.960 1.00 0.00 H new ATOM 1282 N GLU A 80 4.499 -2.046 -14.861 1.00 0.00 N ATOM 1283 CA GLU A 80 5.499 -2.805 -15.602 1.00 0.00 C ATOM 1284 C GLU A 80 5.147 -4.290 -15.627 1.00 0.00 C ATOM 1285 O GLU A 80 4.509 -4.801 -14.707 1.00 0.00 O ATOM 1286 CB GLU A 80 6.884 -2.609 -14.983 1.00 0.00 C ATOM 1287 CG GLU A 80 7.296 -1.151 -14.863 1.00 0.00 C ATOM 1288 CD GLU A 80 8.029 -0.650 -16.092 1.00 0.00 C ATOM 1289 OE1 GLU A 80 8.906 -1.379 -16.599 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.724 0.473 -16.547 1.00 0.00 O ATOM 0 H GLU A 80 4.823 -1.683 -13.965 1.00 0.00 H new ATOM 0 HA GLU A 80 5.512 -2.434 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.898 -3.064 -13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.621 -3.138 -15.587 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.409 -0.539 -14.699 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.935 -1.028 -13.988 1.00 0.00 H new ATOM 1297 N GLN A 81 5.567 -4.975 -16.686 1.00 0.00 N ATOM 1298 CA GLN A 81 5.295 -6.400 -16.830 1.00 0.00 C ATOM 1299 C GLN A 81 5.994 -7.201 -15.737 1.00 0.00 C ATOM 1300 O GLN A 81 7.044 -7.800 -15.969 1.00 0.00 O ATOM 1301 CB GLN A 81 5.747 -6.890 -18.207 1.00 0.00 C ATOM 1302 CG GLN A 81 7.222 -6.649 -18.484 1.00 0.00 C ATOM 1303 CD GLN A 81 7.543 -6.640 -19.966 1.00 0.00 C ATOM 1304 OE1 GLN A 81 6.645 -6.639 -20.808 1.00 0.00 O ATOM 1305 NE2 GLN A 81 8.830 -6.635 -20.293 1.00 0.00 N ATOM 0 H GLN A 81 6.096 -4.566 -17.456 1.00 0.00 H new ATOM 0 HA GLN A 81 4.220 -6.551 -16.733 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.540 -7.957 -18.290 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.155 -6.390 -18.974 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.519 -5.696 -18.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.811 -7.423 -17.993 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.542 -6.636 -19.562 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.107 -6.630 -21.275 1.00 0.00 H new ATOM 1314 N ARG A 82 5.405 -7.207 -14.546 1.00 0.00 N ATOM 1315 CA ARG A 82 5.973 -7.934 -13.417 1.00 0.00 C ATOM 1316 C ARG A 82 5.009 -7.939 -12.234 1.00 0.00 C ATOM 1317 O ARG A 82 4.021 -7.207 -12.223 1.00 0.00 O ATOM 1318 CB ARG A 82 7.306 -7.310 -13.000 1.00 0.00 C ATOM 1319 CG ARG A 82 7.200 -5.840 -12.627 1.00 0.00 C ATOM 1320 CD ARG A 82 8.573 -5.207 -12.463 1.00 0.00 C ATOM 1321 NE ARG A 82 9.171 -5.525 -11.169 1.00 0.00 N ATOM 1322 CZ ARG A 82 10.195 -4.857 -10.648 1.00 0.00 C ATOM 1323 NH1 ARG A 82 10.730 -3.840 -11.307 1.00 0.00 N ATOM 1324 NH2 ARG A 82 10.684 -5.207 -9.465 1.00 0.00 N ATOM 0 H ARG A 82 4.535 -6.717 -14.338 1.00 0.00 H new ATOM 0 HA ARG A 82 6.144 -8.964 -13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.707 -7.864 -12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.020 -7.418 -13.817 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.642 -5.307 -13.397 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.638 -5.739 -11.699 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.230 -5.554 -13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.488 -4.125 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 82 8.781 -6.302 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.356 -3.568 -12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.516 -3.329 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.274 -5.989 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.470 -4.694 -9.066 1.00 0.00 H new ATOM 1338 N ASN A 83 5.305 -8.771 -11.240 1.00 0.00 N ATOM 1339 CA ASN A 83 4.464 -8.872 -10.052 1.00 0.00 C ATOM 1340 C ASN A 83 4.927 -7.897 -8.974 1.00 0.00 C ATOM 1341 O ASN A 83 6.020 -8.035 -8.425 1.00 0.00 O ATOM 1342 CB ASN A 83 4.486 -10.301 -9.507 1.00 0.00 C ATOM 1343 CG ASN A 83 4.247 -11.337 -10.590 1.00 0.00 C ATOM 1344 OD1 ASN A 83 3.272 -11.256 -11.338 1.00 0.00 O ATOM 1345 ND2 ASN A 83 5.139 -12.317 -10.678 1.00 0.00 N ATOM 0 H ASN A 83 6.120 -9.384 -11.234 1.00 0.00 H new ATOM 0 HA ASN A 83 3.444 -8.614 -10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.449 -10.491 -9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.724 -10.404 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.031 -13.043 -11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.932 -12.344 -10.037 1.00 0.00 H new ATOM 1352 N VAL A 84 4.086 -6.913 -8.673 1.00 0.00 N ATOM 1353 CA VAL A 84 4.407 -5.916 -7.659 1.00 0.00 C ATOM 1354 C VAL A 84 4.979 -6.571 -6.406 1.00 0.00 C ATOM 1355 O VAL A 84 5.913 -6.053 -5.794 1.00 0.00 O ATOM 1356 CB VAL A 84 3.166 -5.089 -7.271 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.971 -6.000 -7.033 1.00 0.00 C ATOM 1358 CG2 VAL A 84 3.454 -4.241 -6.042 1.00 0.00 C ATOM 0 H VAL A 84 3.177 -6.785 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 84 5.155 -5.253 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 84 2.924 -4.420 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.104 -5.399 -6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.753 -6.559 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.199 -6.696 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.567 -3.664 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.722 -4.889 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.280 -3.562 -6.254 1.00 0.00 H new ATOM 1368 N TYR A 85 4.412 -7.713 -6.031 1.00 0.00 N ATOM 1369 CA TYR A 85 4.865 -8.438 -4.850 1.00 0.00 C ATOM 1370 C TYR A 85 5.376 -9.826 -5.226 1.00 0.00 C ATOM 1371 O TYR A 85 5.345 -10.217 -6.393 1.00 0.00 O ATOM 1372 CB TYR A 85 3.728 -8.559 -3.834 1.00 0.00 C ATOM 1373 CG TYR A 85 4.202 -8.833 -2.425 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.824 -7.842 -1.675 1.00 0.00 C ATOM 1375 CD2 TYR A 85 4.030 -10.083 -1.843 1.00 0.00 C ATOM 1376 CE1 TYR A 85 5.259 -8.087 -0.388 1.00 0.00 C ATOM 1377 CE2 TYR A 85 4.461 -10.337 -0.555 1.00 0.00 C ATOM 1378 CZ TYR A 85 5.075 -9.336 0.168 1.00 0.00 C ATOM 1379 OH TYR A 85 5.507 -9.585 1.451 1.00 0.00 O ATOM 0 H TYR A 85 3.639 -8.156 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 85 5.686 -7.877 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.147 -7.637 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.058 -9.360 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.970 -6.863 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.551 -10.870 -2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.741 -7.305 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.318 -11.314 -0.117 1.00 0.00 H new ATOM 0 HH TYR A 85 5.099 -10.414 1.779 1.00 0.00 H new ATOM 1389 N LYS A 86 5.845 -10.566 -4.228 1.00 0.00 N ATOM 1390 CA LYS A 86 6.362 -11.911 -4.450 1.00 0.00 C ATOM 1391 C LYS A 86 5.580 -12.620 -5.551 1.00 0.00 C ATOM 1392 O LYS A 86 6.135 -12.973 -6.591 1.00 0.00 O ATOM 1393 CB LYS A 86 6.294 -12.726 -3.156 1.00 0.00 C ATOM 1394 CG LYS A 86 7.509 -12.548 -2.261 1.00 0.00 C ATOM 1395 CD LYS A 86 7.207 -12.948 -0.826 1.00 0.00 C ATOM 1396 CE LYS A 86 8.178 -12.298 0.149 1.00 0.00 C ATOM 1397 NZ LYS A 86 7.755 -10.918 0.515 1.00 0.00 N ATOM 0 H LYS A 86 5.878 -10.257 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 86 7.402 -11.826 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.400 -12.439 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.189 -13.782 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.334 -13.150 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.834 -11.508 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.187 -12.658 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.264 -14.032 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.250 -12.907 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.173 -12.267 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.191 -10.650 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.058 -10.254 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.720 -10.885 0.607 1.00 0.00 H new ATOM 1411 N ASP A 87 4.289 -12.825 -5.314 1.00 0.00 N ATOM 1412 CA ASP A 87 3.429 -13.489 -6.287 1.00 0.00 C ATOM 1413 C ASP A 87 2.172 -12.666 -6.554 1.00 0.00 C ATOM 1414 O ASP A 87 1.627 -12.686 -7.658 1.00 0.00 O ATOM 1415 CB ASP A 87 3.045 -14.884 -5.792 1.00 0.00 C ATOM 1416 CG ASP A 87 2.333 -14.847 -4.454 1.00 0.00 C ATOM 1417 OD1 ASP A 87 2.587 -13.907 -3.672 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.522 -15.759 -4.188 1.00 0.00 O ATOM 0 H ASP A 87 3.815 -12.541 -4.457 1.00 0.00 H new ATOM 0 HA ASP A 87 3.984 -13.583 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.402 -15.364 -6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.943 -15.496 -5.706 1.00 0.00 H new ATOM 1423 N LEU A 88 1.717 -11.945 -5.535 1.00 0.00 N ATOM 1424 CA LEU A 88 0.523 -11.116 -5.658 1.00 0.00 C ATOM 1425 C LEU A 88 0.634 -10.176 -6.855 1.00 0.00 C ATOM 1426 O LEU A 88 1.645 -9.496 -7.031 1.00 0.00 O ATOM 1427 CB LEU A 88 0.306 -10.307 -4.378 1.00 0.00 C ATOM 1428 CG LEU A 88 0.304 -11.103 -3.073 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.818 -10.248 -1.925 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.094 -11.623 -2.769 1.00 0.00 C ATOM 0 H LEU A 88 2.157 -11.918 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.332 -11.774 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.085 -9.547 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.645 -9.782 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 88 0.971 -11.957 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.809 -10.832 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.836 -9.924 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.177 -9.374 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.077 -12.187 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.782 -10.783 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.425 -12.272 -3.580 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.413 -10.142 -7.673 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.433 -9.285 -8.852 1.00 0.00 C ATOM 1444 C ARG A 89 -0.798 -7.852 -8.476 1.00 0.00 C ATOM 1445 O ARG A 89 -0.661 -6.935 -9.285 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.428 -9.823 -9.882 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.940 -11.064 -10.610 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.351 -12.335 -9.882 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.767 -12.640 -10.071 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.332 -13.777 -9.679 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.606 -14.710 -9.079 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -4.627 -13.981 -9.887 1.00 0.00 N ATOM 0 H ARG A 89 -1.258 -10.698 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 89 0.566 -9.285 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.368 -10.052 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.639 -9.043 -10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.345 -11.076 -11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.146 -11.030 -10.701 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.749 -13.170 -10.242 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.142 -12.227 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.354 -11.942 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.611 -14.556 -8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.043 -15.582 -8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.189 -13.265 -10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.061 -14.854 -9.586 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.263 -7.669 -7.245 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.649 -6.348 -6.763 1.00 0.00 C ATOM 1468 C GLN A 90 -1.810 -6.347 -5.247 1.00 0.00 C ATOM 1469 O GLN A 90 -2.472 -7.219 -4.683 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.952 -5.900 -7.427 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.124 -6.829 -7.154 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.883 -6.457 -5.895 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.432 -5.624 -5.108 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.041 -7.075 -5.697 1.00 0.00 N ATOM 0 H GLN A 90 -1.382 -8.418 -6.563 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.856 -5.647 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.203 -4.899 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.797 -5.831 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.806 -6.807 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.759 -7.852 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.377 -7.759 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.595 -6.866 -4.866 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.201 -5.364 -4.592 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.278 -5.250 -3.141 1.00 0.00 C ATOM 1485 C ILE A 91 -2.444 -4.361 -2.721 1.00 0.00 C ATOM 1486 O ILE A 91 -2.476 -3.173 -3.038 1.00 0.00 O ATOM 1487 CB ILE A 91 0.025 -4.681 -2.551 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.231 -5.469 -3.067 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.023 -4.713 -1.031 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.555 -4.784 -2.811 1.00 0.00 C ATOM 0 H ILE A 91 -0.649 -4.635 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.433 -6.257 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 91 0.128 -3.644 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.242 -6.451 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.117 -5.632 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.905 -4.307 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.863 -4.113 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.146 -5.742 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.365 -5.399 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.564 -3.813 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.691 -4.645 -1.739 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.398 -4.946 -2.003 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.565 -4.206 -1.538 1.00 0.00 C ATOM 1504 C GLU A 92 -4.309 -3.593 -0.164 1.00 0.00 C ATOM 1505 O GLU A 92 -3.519 -4.115 0.624 1.00 0.00 O ATOM 1506 CB GLU A 92 -5.788 -5.123 -1.479 1.00 0.00 C ATOM 1507 CG GLU A 92 -5.971 -5.974 -2.724 1.00 0.00 C ATOM 1508 CD GLU A 92 -6.922 -7.134 -2.504 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -6.731 -7.878 -1.519 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -7.857 -7.298 -3.315 1.00 0.00 O ATOM 0 H GLU A 92 -3.385 -5.929 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.758 -3.400 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.700 -5.777 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.681 -4.515 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.347 -5.349 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.002 -6.359 -3.042 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.981 -2.482 0.117 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.827 -1.797 1.395 1.00 0.00 C ATOM 1519 C LEU A 93 -6.139 -1.149 1.827 1.00 0.00 C ATOM 1520 O LEU A 93 -6.718 -0.348 1.094 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.729 -0.736 1.298 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.358 -1.230 0.833 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.501 -0.064 0.368 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.661 -1.996 1.947 1.00 0.00 C ATOM 0 H LEU A 93 -5.638 -2.036 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.544 -2.537 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.064 0.043 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.613 -0.271 2.277 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.503 -1.906 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.529 -0.434 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.995 0.442 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.364 0.637 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.687 -2.340 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.528 -1.343 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.268 -2.855 2.233 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.600 -1.499 3.023 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.841 -0.949 3.555 1.00 0.00 C ATOM 1538 C ALA A 94 -7.561 0.099 4.627 1.00 0.00 C ATOM 1539 O ALA A 94 -6.624 -0.039 5.414 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.714 -2.061 4.116 1.00 0.00 C ATOM 0 H ALA A 94 -6.133 -2.161 3.642 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.374 -0.462 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.637 -1.635 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.951 -2.772 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.181 -2.574 4.916 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.379 1.146 4.651 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.218 2.219 5.626 1.00 0.00 C ATOM 1548 C CYS A 95 -9.413 2.277 6.572 1.00 0.00 C ATOM 1549 O CYS A 95 -10.348 1.484 6.457 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.050 3.562 4.915 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.561 3.676 3.894 1.00 0.00 S ATOM 0 H CYS A 95 -9.160 1.275 4.007 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.323 2.012 6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.923 3.740 4.287 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.027 4.356 5.662 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.810 4.643 4.329 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.375 3.219 7.508 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.454 3.381 8.475 1.00 0.00 C ATOM 1559 C ASP A 96 -11.655 4.072 7.838 1.00 0.00 C ATOM 1560 O ASP A 96 -12.792 3.620 7.980 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.969 4.183 9.683 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.098 4.546 10.628 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -12.138 5.040 10.147 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -10.940 4.336 11.850 1.00 0.00 O ATOM 0 H ASP A 96 -8.608 3.882 7.617 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.763 2.390 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.219 3.604 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.481 5.094 9.338 1.00 0.00 H new ATOM 1569 N SER A 97 -11.396 5.172 7.138 1.00 0.00 N ATOM 1570 CA SER A 97 -12.457 5.929 6.483 1.00 0.00 C ATOM 1571 C SER A 97 -11.911 6.707 5.290 1.00 0.00 C ATOM 1572 O SER A 97 -10.699 6.833 5.119 1.00 0.00 O ATOM 1573 CB SER A 97 -13.114 6.890 7.476 1.00 0.00 C ATOM 1574 OG SER A 97 -14.471 7.121 7.140 1.00 0.00 O ATOM 0 H SER A 97 -10.461 5.559 7.010 1.00 0.00 H new ATOM 0 HA SER A 97 -13.205 5.223 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.051 6.477 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.572 7.836 7.485 1.00 0.00 H new ATOM 0 HG SER A 97 -14.869 7.737 7.790 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.816 7.228 4.467 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.426 7.993 3.289 1.00 0.00 C ATOM 1582 C GLN A 98 -11.359 9.025 3.639 1.00 0.00 C ATOM 1583 O GLN A 98 -10.390 9.202 2.902 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.645 8.689 2.680 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.300 9.635 1.541 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.895 8.903 0.277 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.739 8.362 -0.438 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.598 8.883 -0.006 1.00 0.00 N ATOM 0 H GLN A 98 -13.824 7.134 4.595 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.009 7.300 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.340 7.933 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.162 9.247 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.160 10.271 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.487 10.291 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.933 9.345 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.266 8.406 -0.844 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.546 9.703 4.767 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.599 10.718 5.213 1.00 0.00 C ATOM 1599 C GLU A 99 -9.163 10.224 5.068 1.00 0.00 C ATOM 1600 O GLU A 99 -8.276 10.972 4.658 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.875 11.100 6.669 1.00 0.00 C ATOM 1602 CG GLU A 99 -10.448 12.516 7.018 1.00 0.00 C ATOM 1603 CD GLU A 99 -10.199 12.701 8.502 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -9.315 12.009 9.047 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -10.890 13.539 9.119 1.00 0.00 O ATOM 0 H GLU A 99 -12.344 9.568 5.388 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.726 11.599 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.941 10.991 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.355 10.401 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.541 12.764 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.219 13.215 6.693 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.942 8.959 5.408 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.614 8.363 5.316 1.00 0.00 C ATOM 1614 C ASP A 100 -7.222 8.132 3.860 1.00 0.00 C ATOM 1615 O ASP A 100 -6.235 8.687 3.377 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.571 7.041 6.085 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.728 7.235 7.580 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.703 7.446 8.262 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.876 7.177 8.068 1.00 0.00 O ATOM 0 H ASP A 100 -9.665 8.326 5.750 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.900 9.056 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.363 6.387 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.625 6.538 5.884 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.001 7.309 3.166 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.735 7.004 1.765 1.00 0.00 C ATOM 1626 C VAL A 101 -7.397 8.268 0.983 1.00 0.00 C ATOM 1627 O VAL A 101 -6.346 8.356 0.348 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.940 6.311 1.103 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.659 6.040 -0.367 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.281 5.022 1.835 1.00 0.00 C ATOM 0 H VAL A 101 -8.822 6.841 3.551 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.880 6.328 1.745 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.800 6.977 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.522 5.550 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.467 6.982 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.786 5.393 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.135 4.545 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.424 4.349 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.528 5.247 2.872 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.295 9.246 1.033 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.092 10.508 0.330 1.00 0.00 C ATOM 1642 C ASP A 102 -6.679 11.036 0.559 1.00 0.00 C ATOM 1643 O ASP A 102 -5.979 11.396 -0.387 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.118 11.544 0.791 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.400 12.591 -0.269 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -10.125 12.276 -1.236 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -8.895 13.725 -0.131 1.00 0.00 O ATOM 0 H ASP A 102 -9.171 9.189 1.553 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.225 10.327 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.047 11.039 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.754 12.034 1.694 1.00 0.00 H new ATOM 1652 N SER A 103 -6.267 11.081 1.822 1.00 0.00 N ATOM 1653 CA SER A 103 -4.940 11.570 2.176 1.00 0.00 C ATOM 1654 C SER A 103 -3.856 10.653 1.618 1.00 0.00 C ATOM 1655 O SER A 103 -2.928 11.107 0.948 1.00 0.00 O ATOM 1656 CB SER A 103 -4.801 11.676 3.696 1.00 0.00 C ATOM 1657 OG SER A 103 -3.582 12.305 4.054 1.00 0.00 O ATOM 0 H SER A 103 -6.833 10.785 2.617 1.00 0.00 H new ATOM 0 HA SER A 103 -4.816 12.560 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.639 12.242 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.844 10.681 4.139 1.00 0.00 H new ATOM 0 HG SER A 103 -3.518 12.362 5.030 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.981 9.361 1.898 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.013 8.379 1.424 1.00 0.00 C ATOM 1665 C TRP A 104 -2.804 8.502 -0.081 1.00 0.00 C ATOM 1666 O TRP A 104 -1.690 8.341 -0.579 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.478 6.964 1.773 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.055 6.519 3.140 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.867 6.281 4.212 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.718 6.262 3.582 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.116 5.891 5.294 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.794 5.871 4.933 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.464 6.323 2.968 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.664 5.543 5.678 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.656 5.998 3.709 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.551 5.611 5.051 1.00 0.00 C ATOM 0 H TRP A 104 -4.743 8.969 2.451 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.063 8.574 1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.565 6.919 1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.083 6.267 1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.942 6.384 4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.483 5.655 6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.372 6.619 1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.743 5.246 6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.630 6.043 3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.446 5.361 5.602 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.883 8.790 -0.802 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.818 8.937 -2.251 1.00 0.00 C ATOM 1689 C LYS A 105 -3.050 10.197 -2.636 1.00 0.00 C ATOM 1690 O LYS A 105 -2.072 10.136 -3.381 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.228 8.985 -2.843 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.956 7.653 -2.792 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.348 7.754 -3.391 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.798 6.427 -3.983 1.00 0.00 C ATOM 1695 NZ LYS A 105 -7.400 6.292 -5.411 1.00 0.00 N ATOM 0 H LYS A 105 -4.813 8.926 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.290 8.073 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.814 9.730 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.166 9.316 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.380 6.902 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.028 7.316 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.054 8.069 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.357 8.521 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.367 5.608 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.881 6.341 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.725 5.374 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.832 7.059 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.365 6.349 -5.490 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.498 11.338 -2.123 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.851 12.612 -2.411 1.00 0.00 C ATOM 1711 C ALA A 106 -1.345 12.524 -2.189 1.00 0.00 C ATOM 1712 O ALA A 106 -0.561 13.074 -2.963 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.450 13.714 -1.550 1.00 0.00 C ATOM 0 H ALA A 106 -4.307 11.406 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.024 12.851 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -2.958 14.660 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.516 13.801 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.306 13.472 -0.497 1.00 0.00 H new ATOM 1719 N SER A 107 -0.947 11.831 -1.127 1.00 0.00 N ATOM 1720 CA SER A 107 0.466 11.675 -0.801 1.00 0.00 C ATOM 1721 C SER A 107 1.207 10.954 -1.923 1.00 0.00 C ATOM 1722 O SER A 107 2.321 11.330 -2.289 1.00 0.00 O ATOM 1723 CB SER A 107 0.627 10.903 0.510 1.00 0.00 C ATOM 1724 OG SER A 107 0.289 9.537 0.342 1.00 0.00 O ATOM 0 H SER A 107 -1.583 11.369 -0.477 1.00 0.00 H new ATOM 0 HA SER A 107 0.898 12.669 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.656 10.986 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.008 11.346 1.277 1.00 0.00 H new ATOM 0 HG SER A 107 -0.502 9.464 -0.233 1.00 0.00 H new ATOM 1730 N PHE A 108 0.579 9.916 -2.466 1.00 0.00 N ATOM 1731 CA PHE A 108 1.178 9.140 -3.546 1.00 0.00 C ATOM 1732 C PHE A 108 1.517 10.035 -4.735 1.00 0.00 C ATOM 1733 O PHE A 108 2.538 9.846 -5.397 1.00 0.00 O ATOM 1734 CB PHE A 108 0.229 8.024 -3.987 1.00 0.00 C ATOM 1735 CG PHE A 108 0.424 6.739 -3.235 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.590 6.004 -3.384 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.557 6.265 -2.379 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.771 4.821 -2.694 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.380 5.083 -1.686 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.786 4.360 -1.843 1.00 0.00 C ATOM 0 H PHE A 108 -0.344 9.593 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 108 2.101 8.696 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.800 8.360 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.370 7.838 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.365 6.360 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.471 6.826 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.683 4.257 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.153 4.725 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.927 3.436 -1.302 1.00 0.00 H new ATOM 1750 N LEU A 109 0.653 11.008 -5.000 1.00 0.00 N ATOM 1751 CA LEU A 109 0.859 11.933 -6.109 1.00 0.00 C ATOM 1752 C LEU A 109 2.155 12.717 -5.931 1.00 0.00 C ATOM 1753 O LEU A 109 2.931 12.876 -6.874 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.323 12.898 -6.221 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.492 12.430 -7.088 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -1.061 12.301 -8.541 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.041 11.107 -6.574 1.00 0.00 C ATOM 0 H LEU A 109 -0.197 11.177 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 109 0.932 11.350 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.699 13.099 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.043 13.844 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.284 13.177 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.906 11.967 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.716 13.269 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.252 11.575 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.872 10.789 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.256 10.352 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.389 11.231 -5.548 1.00 0.00 H new ATOM 1769 N ARG A 110 2.385 13.202 -4.716 1.00 0.00 N ATOM 1770 CA ARG A 110 3.588 13.968 -4.414 1.00 0.00 C ATOM 1771 C ARG A 110 4.839 13.210 -4.849 1.00 0.00 C ATOM 1772 O ARG A 110 5.785 13.801 -5.370 1.00 0.00 O ATOM 1773 CB ARG A 110 3.660 14.275 -2.917 1.00 0.00 C ATOM 1774 CG ARG A 110 2.594 15.249 -2.443 1.00 0.00 C ATOM 1775 CD ARG A 110 3.003 15.938 -1.150 1.00 0.00 C ATOM 1776 NE ARG A 110 1.942 16.793 -0.626 1.00 0.00 N ATOM 1777 CZ ARG A 110 2.159 17.817 0.192 1.00 0.00 C ATOM 1778 NH1 ARG A 110 3.393 18.111 0.577 1.00 0.00 N ATOM 1779 NH2 ARG A 110 1.141 18.548 0.627 1.00 0.00 N ATOM 0 H ARG A 110 1.754 13.078 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 110 3.541 14.905 -4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.563 13.344 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.643 14.685 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.415 15.998 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.655 14.717 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.263 15.186 -0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.897 16.536 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 110 0.981 16.593 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.178 17.551 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.557 18.898 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.190 18.324 0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.309 19.334 1.255 1.00 0.00 H new ATOM 1793 N ALA A 111 4.836 11.899 -4.631 1.00 0.00 N ATOM 1794 CA ALA A 111 5.969 11.061 -5.002 1.00 0.00 C ATOM 1795 C ALA A 111 6.090 10.940 -6.517 1.00 0.00 C ATOM 1796 O ALA A 111 7.191 10.835 -7.056 1.00 0.00 O ATOM 1797 CB ALA A 111 5.836 9.684 -4.369 1.00 0.00 C ATOM 0 H ALA A 111 4.062 11.395 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 111 6.877 11.534 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.689 9.068 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.807 9.784 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.916 9.212 -4.714 1.00 0.00 H new ATOM 1803 N GLY A 112 4.949 10.953 -7.200 1.00 0.00 N ATOM 1804 CA GLY A 112 4.949 10.843 -8.647 1.00 0.00 C ATOM 1805 C GLY A 112 4.072 9.710 -9.142 1.00 0.00 C ATOM 1806 O GLY A 112 4.367 9.087 -10.163 1.00 0.00 O ATOM 0 H GLY A 112 4.025 11.038 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.603 11.782 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.970 10.688 -8.997 1.00 0.00 H new ATOM 1810 N VAL A 113 2.991 9.439 -8.417 1.00 0.00 N ATOM 1811 CA VAL A 113 2.069 8.373 -8.788 1.00 0.00 C ATOM 1812 C VAL A 113 0.738 8.940 -9.270 1.00 0.00 C ATOM 1813 O VAL A 113 0.327 8.705 -10.406 1.00 0.00 O ATOM 1814 CB VAL A 113 1.810 7.419 -7.607 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.850 6.312 -8.015 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.120 6.837 -7.096 1.00 0.00 C ATOM 0 H VAL A 113 2.733 9.944 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 113 2.539 7.817 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 113 1.350 7.987 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.679 5.648 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.097 6.750 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.279 5.744 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.919 6.165 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.609 6.284 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.771 7.645 -6.762 1.00 0.00 H new TER 1826 VAL A 113