USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 7 CYS SG : rot 140:sc= -2.32 USER MOD Set 1.2: A 101 GLN : amide:sc= -4.62! K(o=-6.9!,f=-2.2) USER MOD Set 2.1: A 74 GLN : amide:sc= -2.18 K(o=-14,f=-11) USER MOD Set 2.2: A 80 HIS : no HE2:sc= -12! C(o=-14!,f=-12!) USER MOD Set 3.1: A 28 THR OG1 : rot -169:sc= -1.23 USER MOD Set 3.2: A 59 GLN : amide:sc= -1.2 K(o=-2.4,f=2.3) USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.0133 USER MOD Single : A 8 SER OG : rot -6:sc= 0.866! USER MOD Single : A 9 SER OG : rot -127:sc= -2.73 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0083 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 130:sc= -1.08 USER MOD Single : A 20 ASN : amide:sc= -0.751 K(o=-0.75,f=-0.026) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 34 SER OG : rot -120:sc= -0.16 USER MOD Single : A 37 GLN : amide:sc= -3.93! C(o=-3.9!,f=-2.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.56) USER MOD Single : A 41 ASN : amide:sc= -1.01 K(o=-1,f=-8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 45 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.024) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= -0.217 (180deg=-0.669) USER MOD Single : A 54 MET CE :methyl -137:sc= -3.85 (180deg=-7.71!) USER MOD Single : A 55 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 58 GLN : amide:sc= -0.806 K(o=-0.81,f=-0.22) USER MOD Single : A 63 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -132:sc= 0.806 USER MOD Single : A 73 ASN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 78 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.7!) USER MOD Single : A 81 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.015) USER MOD Single : A 87 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-0.557) USER MOD Single : A 106 MET CE :methyl -122:sc= -7.64! (180deg=-16.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.228 9.118 4.505 1.00 0.00 N ATOM 47 CA THR A 4 12.091 9.721 3.184 1.00 0.00 C ATOM 48 C THR A 4 11.050 8.974 2.354 1.00 0.00 C ATOM 49 O THR A 4 11.232 7.802 2.024 1.00 0.00 O ATOM 50 CB THR A 4 13.443 9.718 2.462 1.00 0.00 C ATOM 51 OG1 THR A 4 14.356 10.586 3.108 1.00 0.00 O ATOM 52 CG2 THR A 4 13.357 10.140 1.010 1.00 0.00 C ATOM 0 HA THR A 4 11.756 10.751 3.308 1.00 0.00 H new ATOM 0 HB THR A 4 13.783 8.683 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.160 10.612 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.351 10.114 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.700 9.458 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.958 11.153 0.948 1.00 0.00 H new ATOM 60 N VAL A 5 9.962 9.660 2.013 1.00 0.00 N ATOM 61 CA VAL A 5 8.904 9.052 1.216 1.00 0.00 C ATOM 62 C VAL A 5 9.400 8.755 -0.198 1.00 0.00 C ATOM 63 O VAL A 5 10.320 9.407 -0.692 1.00 0.00 O ATOM 64 CB VAL A 5 7.650 9.953 1.150 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.694 9.484 0.061 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.942 9.982 2.495 1.00 0.00 C ATOM 0 H VAL A 5 9.792 10.631 2.275 1.00 0.00 H new ATOM 0 HA VAL A 5 8.627 8.118 1.705 1.00 0.00 H new ATOM 0 HB VAL A 5 7.977 10.963 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.821 10.136 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.198 9.518 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.378 8.462 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.062 10.621 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.637 8.972 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.619 10.374 3.254 1.00 0.00 H new ATOM 76 N ILE A 6 8.794 7.761 -0.838 1.00 0.00 N ATOM 77 CA ILE A 6 9.190 7.376 -2.189 1.00 0.00 C ATOM 78 C ILE A 6 8.233 7.923 -3.245 1.00 0.00 C ATOM 79 O ILE A 6 8.590 8.821 -4.007 1.00 0.00 O ATOM 80 CB ILE A 6 9.275 5.843 -2.346 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.647 5.180 -1.015 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.287 5.492 -3.422 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.182 3.770 -1.160 1.00 0.00 C ATOM 0 H ILE A 6 8.031 7.209 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 6 10.178 7.811 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 6 8.297 5.466 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.396 5.792 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.767 5.160 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.343 4.409 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.979 5.935 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.266 5.880 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.422 3.369 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.428 3.142 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.081 3.784 -1.776 1.00 0.00 H new ATOM 95 N CYS A 7 7.025 7.369 -3.300 1.00 0.00 N ATOM 96 CA CYS A 7 6.036 7.800 -4.282 1.00 0.00 C ATOM 97 C CYS A 7 4.673 8.034 -3.640 1.00 0.00 C ATOM 98 O CYS A 7 4.534 7.971 -2.418 1.00 0.00 O ATOM 99 CB CYS A 7 5.915 6.760 -5.397 1.00 0.00 C ATOM 100 SG CYS A 7 5.998 7.456 -7.064 1.00 0.00 S ATOM 0 H CYS A 7 6.709 6.624 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 7 6.376 8.746 -4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.711 6.024 -5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.970 6.228 -5.283 1.00 0.00 H new ATOM 0 HG CYS A 7 6.701 6.673 -7.827 1.00 0.00 H new ATOM 106 N SER A 8 3.673 8.308 -4.477 1.00 0.00 N ATOM 107 CA SER A 8 2.316 8.559 -4.000 1.00 0.00 C ATOM 108 C SER A 8 1.280 8.236 -5.074 1.00 0.00 C ATOM 109 O SER A 8 1.321 8.790 -6.173 1.00 0.00 O ATOM 110 CB SER A 8 2.169 10.023 -3.577 1.00 0.00 C ATOM 111 OG SER A 8 1.887 10.853 -4.691 1.00 0.00 O ATOM 0 H SER A 8 3.779 8.362 -5.490 1.00 0.00 H new ATOM 0 HA SER A 8 2.140 7.908 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.370 10.113 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.086 10.358 -3.093 1.00 0.00 H new ATOM 0 HG SER A 8 1.941 10.325 -5.515 1.00 0.00 H new ATOM 117 N SER A 9 0.348 7.343 -4.750 1.00 0.00 N ATOM 118 CA SER A 9 -0.699 6.963 -5.695 1.00 0.00 C ATOM 119 C SER A 9 -2.081 7.009 -5.043 1.00 0.00 C ATOM 120 O SER A 9 -2.208 6.895 -3.824 1.00 0.00 O ATOM 121 CB SER A 9 -0.431 5.563 -6.246 1.00 0.00 C ATOM 122 OG SER A 9 -1.475 5.145 -7.109 1.00 0.00 O ATOM 0 H SER A 9 0.296 6.872 -3.847 1.00 0.00 H new ATOM 0 HA SER A 9 -0.685 7.682 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.516 5.557 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.332 4.857 -5.421 1.00 0.00 H new ATOM 0 HG SER A 9 -1.813 4.274 -6.815 1.00 0.00 H new ATOM 128 N ARG A 10 -3.113 7.174 -5.870 1.00 0.00 N ATOM 129 CA ARG A 10 -4.489 7.233 -5.382 1.00 0.00 C ATOM 130 C ARG A 10 -5.161 5.866 -5.503 1.00 0.00 C ATOM 131 O ARG A 10 -5.139 5.244 -6.569 1.00 0.00 O ATOM 132 CB ARG A 10 -5.285 8.282 -6.164 1.00 0.00 C ATOM 133 CG ARG A 10 -5.771 9.439 -5.306 1.00 0.00 C ATOM 134 CD ARG A 10 -5.052 10.736 -5.650 1.00 0.00 C ATOM 135 NE ARG A 10 -5.245 11.117 -7.049 1.00 0.00 N ATOM 136 CZ ARG A 10 -4.349 10.903 -8.014 1.00 0.00 C ATOM 137 NH1 ARG A 10 -3.197 10.301 -7.746 1.00 0.00 N ATOM 138 NH2 ARG A 10 -4.611 11.290 -9.254 1.00 0.00 N ATOM 0 H ARG A 10 -3.021 7.269 -6.881 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.469 7.518 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.662 8.673 -6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.144 7.801 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.844 9.570 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.613 9.203 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.416 11.534 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.987 10.624 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.120 11.575 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.990 9.997 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.519 10.142 -8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.496 11.750 -9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.928 11.128 -9.994 1.00 0.00 H new ATOM 152 N ALA A 11 -5.756 5.403 -4.409 1.00 0.00 N ATOM 153 CA ALA A 11 -6.425 4.107 -4.399 1.00 0.00 C ATOM 154 C ALA A 11 -7.217 3.907 -3.114 1.00 0.00 C ATOM 155 O ALA A 11 -7.253 4.781 -2.251 1.00 0.00 O ATOM 156 CB ALA A 11 -5.404 2.990 -4.566 1.00 0.00 C ATOM 0 H ALA A 11 -5.789 5.903 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.125 4.080 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.914 2.027 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.880 3.115 -5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.686 3.028 -3.747 1.00 0.00 H new ATOM 162 N THR A 12 -7.843 2.744 -2.990 1.00 0.00 N ATOM 163 CA THR A 12 -8.629 2.418 -1.808 1.00 0.00 C ATOM 164 C THR A 12 -8.013 1.234 -1.080 1.00 0.00 C ATOM 165 O THR A 12 -8.348 0.081 -1.355 1.00 0.00 O ATOM 166 CB THR A 12 -10.075 2.101 -2.195 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.646 3.174 -2.922 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.967 1.827 -1.004 1.00 0.00 C ATOM 0 H THR A 12 -7.821 2.009 -3.696 1.00 0.00 H new ATOM 0 HA THR A 12 -8.629 3.282 -1.144 1.00 0.00 H new ATOM 0 HB THR A 12 -10.020 1.198 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.570 2.952 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.978 1.610 -1.349 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.581 0.972 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.986 2.702 -0.354 1.00 0.00 H new ATOM 176 N VAL A 13 -7.100 1.523 -0.159 1.00 0.00 N ATOM 177 CA VAL A 13 -6.424 0.480 0.602 1.00 0.00 C ATOM 178 C VAL A 13 -7.407 -0.564 1.113 1.00 0.00 C ATOM 179 O VAL A 13 -8.541 -0.249 1.477 1.00 0.00 O ATOM 180 CB VAL A 13 -5.620 1.068 1.780 1.00 0.00 C ATOM 181 CG1 VAL A 13 -4.962 -0.035 2.599 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.573 2.047 1.264 1.00 0.00 C ATOM 0 H VAL A 13 -6.811 2.472 0.078 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.728 -0.006 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.311 1.602 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.402 0.408 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.729 -0.699 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.283 -0.604 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.012 2.456 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.891 1.529 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.066 2.858 0.728 1.00 0.00 H new ATOM 192 N MET A 14 -6.958 -1.809 1.117 1.00 0.00 N ATOM 193 CA MET A 14 -7.779 -2.923 1.560 1.00 0.00 C ATOM 194 C MET A 14 -6.944 -3.912 2.373 1.00 0.00 C ATOM 195 O MET A 14 -5.742 -4.046 2.154 1.00 0.00 O ATOM 196 CB MET A 14 -8.399 -3.629 0.347 1.00 0.00 C ATOM 197 CG MET A 14 -9.661 -4.405 0.680 1.00 0.00 C ATOM 198 SD MET A 14 -11.015 -4.065 -0.461 1.00 0.00 S ATOM 199 CE MET A 14 -12.336 -3.683 0.687 1.00 0.00 C ATOM 0 H MET A 14 -6.020 -2.074 0.815 1.00 0.00 H new ATOM 0 HA MET A 14 -8.577 -2.539 2.196 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.629 -2.887 -0.417 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.665 -4.311 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.440 -5.472 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 14 -9.976 -4.158 1.694 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.245 -3.450 0.132 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.516 -4.542 1.334 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.052 -2.824 1.295 1.00 0.00 H new ATOM 209 N LEU A 15 -7.586 -4.600 3.311 1.00 0.00 N ATOM 210 CA LEU A 15 -6.895 -5.576 4.148 1.00 0.00 C ATOM 211 C LEU A 15 -7.551 -6.945 4.023 1.00 0.00 C ATOM 212 O LEU A 15 -8.702 -7.127 4.413 1.00 0.00 O ATOM 213 CB LEU A 15 -6.894 -5.129 5.617 1.00 0.00 C ATOM 214 CG LEU A 15 -5.582 -4.525 6.136 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.521 -4.616 7.651 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.374 -5.217 5.519 1.00 0.00 C ATOM 0 H LEU A 15 -8.581 -4.501 3.511 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.863 -5.646 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.688 -4.394 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.146 -5.989 6.238 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.557 -3.476 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.585 -4.184 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.359 -4.069 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.575 -5.661 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.460 -4.767 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.393 -6.277 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.404 -5.103 4.435 1.00 0.00 H new ATOM 228 N TYR A 16 -6.817 -7.902 3.469 1.00 0.00 N ATOM 229 CA TYR A 16 -7.340 -9.249 3.288 1.00 0.00 C ATOM 230 C TYR A 16 -7.407 -10.005 4.607 1.00 0.00 C ATOM 231 O TYR A 16 -6.625 -9.757 5.524 1.00 0.00 O ATOM 232 CB TYR A 16 -6.482 -10.030 2.294 1.00 0.00 C ATOM 233 CG TYR A 16 -7.216 -11.183 1.650 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.024 -10.981 0.539 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.105 -12.471 2.157 1.00 0.00 C ATOM 236 CE1 TYR A 16 -8.701 -12.029 -0.051 1.00 0.00 C ATOM 237 CE2 TYR A 16 -7.777 -13.527 1.574 1.00 0.00 C ATOM 238 CZ TYR A 16 -8.575 -13.302 0.470 1.00 0.00 C ATOM 239 OH TYR A 16 -9.249 -14.350 -0.114 1.00 0.00 O ATOM 0 H TYR A 16 -5.861 -7.771 3.138 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.352 -9.153 2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.131 -9.352 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.599 -10.411 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.124 -9.987 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.483 -12.650 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.325 -11.855 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.679 -14.523 1.979 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.627 -15.090 -0.276 1.00 0.00 H new ATOM 249 N ASP A 17 -8.346 -10.939 4.683 1.00 0.00 N ATOM 250 CA ASP A 17 -8.528 -11.755 5.876 1.00 0.00 C ATOM 251 C ASP A 17 -8.552 -13.233 5.503 1.00 0.00 C ATOM 252 O ASP A 17 -9.620 -13.828 5.355 1.00 0.00 O ATOM 253 CB ASP A 17 -9.825 -11.369 6.590 1.00 0.00 C ATOM 254 CG ASP A 17 -9.718 -11.501 8.096 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.765 -12.643 8.597 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.584 -10.461 8.775 1.00 0.00 O ATOM 0 H ASP A 17 -8.997 -11.151 3.927 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.692 -11.577 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.084 -10.341 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.637 -12.001 6.230 1.00 0.00 H new ATOM 261 N ASP A 18 -7.368 -13.817 5.342 1.00 0.00 N ATOM 262 CA ASP A 18 -7.251 -15.226 4.972 1.00 0.00 C ATOM 263 C ASP A 18 -8.110 -16.107 5.875 1.00 0.00 C ATOM 264 O ASP A 18 -8.545 -17.186 5.471 1.00 0.00 O ATOM 265 CB ASP A 18 -5.790 -15.672 5.040 1.00 0.00 C ATOM 266 CG ASP A 18 -5.102 -15.603 3.691 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.697 -16.069 2.696 1.00 0.00 O ATOM 268 OD2 ASP A 18 -3.968 -15.085 3.628 1.00 0.00 O ATOM 0 H ASP A 18 -6.476 -13.337 5.462 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.611 -15.336 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.254 -15.044 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.742 -16.693 5.418 1.00 0.00 H new ATOM 273 N GLY A 19 -8.358 -15.641 7.096 1.00 0.00 N ATOM 274 CA GLY A 19 -9.172 -16.401 8.027 1.00 0.00 C ATOM 275 C GLY A 19 -10.523 -16.768 7.442 1.00 0.00 C ATOM 276 O GLY A 19 -11.109 -17.788 7.804 1.00 0.00 O ATOM 0 H GLY A 19 -8.010 -14.752 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.642 -17.310 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.318 -15.819 8.937 1.00 0.00 H new ATOM 280 N ASN A 20 -11.013 -15.932 6.532 1.00 0.00 N ATOM 281 CA ASN A 20 -12.301 -16.168 5.888 1.00 0.00 C ATOM 282 C ASN A 20 -12.201 -16.000 4.372 1.00 0.00 C ATOM 283 O ASN A 20 -13.213 -16.020 3.671 1.00 0.00 O ATOM 284 CB ASN A 20 -13.357 -15.213 6.448 1.00 0.00 C ATOM 285 CG ASN A 20 -13.678 -15.495 7.903 1.00 0.00 C ATOM 286 OD1 ASN A 20 -14.753 -16.000 8.227 1.00 0.00 O ATOM 287 ND2 ASN A 20 -12.744 -15.169 8.789 1.00 0.00 N ATOM 0 H ASN A 20 -10.537 -15.084 6.223 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.597 -17.196 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.004 -14.187 6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.268 -15.295 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.903 -15.335 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.867 -14.752 8.476 1.00 0.00 H new ATOM 294 N LYS A 21 -10.978 -15.836 3.866 1.00 0.00 N ATOM 295 CA LYS A 21 -10.755 -15.666 2.434 1.00 0.00 C ATOM 296 C LYS A 21 -11.599 -14.523 1.876 1.00 0.00 C ATOM 297 O LYS A 21 -12.671 -14.748 1.315 1.00 0.00 O ATOM 298 CB LYS A 21 -11.080 -16.964 1.690 1.00 0.00 C ATOM 299 CG LYS A 21 -10.736 -16.919 0.210 1.00 0.00 C ATOM 300 CD LYS A 21 -11.627 -17.849 -0.598 1.00 0.00 C ATOM 301 CE LYS A 21 -10.919 -19.152 -0.928 1.00 0.00 C ATOM 302 NZ LYS A 21 -11.663 -19.946 -1.945 1.00 0.00 N ATOM 0 H LYS A 21 -10.128 -15.818 4.429 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.704 -15.419 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.537 -17.786 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.142 -17.181 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.844 -15.899 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.692 -17.200 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.537 -18.060 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.929 -17.354 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.916 -18.937 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.804 -19.743 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.147 -20.827 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.611 -20.173 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.751 -19.393 -2.821 1.00 0.00 H new ATOM 316 N ARG A 22 -11.110 -13.296 2.036 1.00 0.00 N ATOM 317 CA ARG A 22 -11.822 -12.118 1.549 1.00 0.00 C ATOM 318 C ARG A 22 -11.088 -10.838 1.935 1.00 0.00 C ATOM 319 O ARG A 22 -10.117 -10.870 2.690 1.00 0.00 O ATOM 320 CB ARG A 22 -13.244 -12.087 2.113 1.00 0.00 C ATOM 321 CG ARG A 22 -13.312 -12.385 3.603 1.00 0.00 C ATOM 322 CD ARG A 22 -14.121 -11.336 4.348 1.00 0.00 C ATOM 323 NE ARG A 22 -15.557 -11.588 4.260 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.457 -11.043 5.075 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.073 -10.213 6.038 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.744 -11.326 4.926 1.00 0.00 N ATOM 0 H ARG A 22 -10.224 -13.092 2.499 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.867 -12.178 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.679 -11.105 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.855 -12.813 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.759 -13.367 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.303 -12.425 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.819 -11.322 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.900 -10.350 3.939 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.890 -12.219 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.084 -9.991 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.767 -9.798 6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.044 -11.961 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.434 -10.908 5.551 1.00 0.00 H new ATOM 340 N TRP A 23 -11.566 -9.710 1.417 1.00 0.00 N ATOM 341 CA TRP A 23 -10.963 -8.415 1.714 1.00 0.00 C ATOM 342 C TRP A 23 -11.596 -7.803 2.958 1.00 0.00 C ATOM 343 O TRP A 23 -12.587 -8.315 3.479 1.00 0.00 O ATOM 344 CB TRP A 23 -11.127 -7.462 0.527 1.00 0.00 C ATOM 345 CG TRP A 23 -10.081 -7.630 -0.536 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.297 -7.908 -1.852 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.660 -7.524 -0.380 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.102 -7.995 -2.523 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.082 -7.760 -1.641 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.821 -7.255 0.703 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.706 -7.734 -1.848 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.454 -7.228 0.496 1.00 0.00 C ATOM 353 CH2 TRP A 23 -5.909 -7.466 -0.770 1.00 0.00 C ATOM 0 H TRP A 23 -12.369 -9.667 0.790 1.00 0.00 H new ATOM 0 HA TRP A 23 -9.900 -8.570 1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.110 -7.616 0.083 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.099 -6.435 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.269 -8.041 -2.303 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -8.992 -8.201 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.232 -7.071 1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.283 -7.919 -2.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.796 -7.019 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.837 -7.437 -0.899 1.00 0.00 H new ATOM 364 N LEU A 24 -11.020 -6.704 3.428 1.00 0.00 N ATOM 365 CA LEU A 24 -11.528 -6.016 4.610 1.00 0.00 C ATOM 366 C LEU A 24 -10.983 -4.589 4.676 1.00 0.00 C ATOM 367 O LEU A 24 -9.771 -4.381 4.636 1.00 0.00 O ATOM 368 CB LEU A 24 -11.144 -6.788 5.878 1.00 0.00 C ATOM 369 CG LEU A 24 -12.316 -7.406 6.642 1.00 0.00 C ATOM 370 CD1 LEU A 24 -11.877 -8.681 7.347 1.00 0.00 C ATOM 371 CD2 LEU A 24 -12.884 -6.411 7.642 1.00 0.00 C ATOM 0 H LEU A 24 -10.199 -6.268 3.008 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.615 -5.969 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.450 -7.582 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.609 -6.114 6.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.099 -7.659 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.723 -9.108 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.516 -9.399 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.077 -8.451 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.717 -6.868 8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.108 -6.127 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.234 -5.524 7.114 1.00 0.00 H new ATOM 383 N PRO A 25 -11.870 -3.581 4.775 1.00 0.00 N ATOM 384 CA PRO A 25 -11.460 -2.175 4.842 1.00 0.00 C ATOM 385 C PRO A 25 -10.284 -1.948 5.787 1.00 0.00 C ATOM 386 O PRO A 25 -10.462 -1.809 6.997 1.00 0.00 O ATOM 387 CB PRO A 25 -12.713 -1.478 5.368 1.00 0.00 C ATOM 388 CG PRO A 25 -13.841 -2.307 4.858 1.00 0.00 C ATOM 389 CD PRO A 25 -13.338 -3.728 4.830 1.00 0.00 C ATOM 0 HA PRO A 25 -11.114 -1.803 3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.714 -1.432 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.779 -0.452 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.714 -2.216 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.145 -1.982 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.652 -4.281 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.718 -4.270 3.964 1.00 0.00 H new ATOM 397 N ALA A 26 -9.080 -1.913 5.221 1.00 0.00 N ATOM 398 CA ALA A 26 -7.865 -1.703 6.003 1.00 0.00 C ATOM 399 C ALA A 26 -8.017 -0.540 6.975 1.00 0.00 C ATOM 400 O ALA A 26 -7.836 -0.696 8.183 1.00 0.00 O ATOM 401 CB ALA A 26 -6.685 -1.461 5.077 1.00 0.00 C ATOM 0 H ALA A 26 -8.920 -2.028 4.220 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.685 -2.604 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.783 -1.305 5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.548 -2.326 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.876 -0.577 4.468 1.00 0.00 H new ATOM 407 N GLY A 27 -8.345 0.627 6.435 1.00 0.00 N ATOM 408 CA GLY A 27 -8.514 1.814 7.256 1.00 0.00 C ATOM 409 C GLY A 27 -9.436 1.588 8.440 1.00 0.00 C ATOM 410 O GLY A 27 -9.018 1.052 9.467 1.00 0.00 O ATOM 0 H GLY A 27 -8.498 0.774 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.539 2.140 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.912 2.621 6.641 1.00 0.00 H new ATOM 414 N THR A 28 -10.693 2.000 8.301 1.00 0.00 N ATOM 415 CA THR A 28 -11.669 1.842 9.372 1.00 0.00 C ATOM 416 C THR A 28 -13.046 1.496 8.817 1.00 0.00 C ATOM 417 O THR A 28 -13.509 0.362 8.936 1.00 0.00 O ATOM 418 CB THR A 28 -11.748 3.118 10.215 1.00 0.00 C ATOM 419 OG1 THR A 28 -10.667 3.985 9.918 1.00 0.00 O ATOM 420 CG2 THR A 28 -11.725 2.852 11.705 1.00 0.00 C ATOM 0 H THR A 28 -11.058 2.445 7.459 1.00 0.00 H new ATOM 0 HA THR A 28 -11.340 1.018 10.005 1.00 0.00 H new ATOM 0 HB THR A 28 -12.703 3.575 9.957 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.635 4.706 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.784 3.797 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.575 2.226 11.976 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.799 2.341 11.969 1.00 0.00 H new ATOM 428 N GLY A 29 -13.695 2.482 8.213 1.00 0.00 N ATOM 429 CA GLY A 29 -15.017 2.267 7.651 1.00 0.00 C ATOM 430 C GLY A 29 -15.148 2.804 6.238 1.00 0.00 C ATOM 431 O GLY A 29 -15.119 2.036 5.276 1.00 0.00 O ATOM 0 H GLY A 29 -13.331 3.428 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.238 1.200 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.760 2.747 8.288 1.00 0.00 H new ATOM 435 N PRO A 30 -15.294 4.131 6.079 1.00 0.00 N ATOM 436 CA PRO A 30 -15.430 4.758 4.760 1.00 0.00 C ATOM 437 C PRO A 30 -14.377 4.268 3.772 1.00 0.00 C ATOM 438 O PRO A 30 -13.347 3.722 4.167 1.00 0.00 O ATOM 439 CB PRO A 30 -15.234 6.244 5.058 1.00 0.00 C ATOM 440 CG PRO A 30 -15.690 6.407 6.467 1.00 0.00 C ATOM 441 CD PRO A 30 -15.339 5.123 7.170 1.00 0.00 C ATOM 0 HA PRO A 30 -16.386 4.524 4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.191 6.537 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.817 6.865 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.199 7.257 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.763 6.594 6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.381 5.197 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.085 4.860 7.920 1.00 0.00 H new ATOM 449 N GLN A 31 -14.643 4.463 2.484 1.00 0.00 N ATOM 450 CA GLN A 31 -13.717 4.036 1.443 1.00 0.00 C ATOM 451 C GLN A 31 -13.669 5.048 0.303 1.00 0.00 C ATOM 452 O GLN A 31 -13.921 4.711 -0.854 1.00 0.00 O ATOM 453 CB GLN A 31 -14.114 2.661 0.909 1.00 0.00 C ATOM 454 CG GLN A 31 -13.505 1.511 1.694 1.00 0.00 C ATOM 455 CD GLN A 31 -14.038 0.160 1.261 1.00 0.00 C ATOM 456 OE1 GLN A 31 -14.475 -0.641 2.087 1.00 0.00 O ATOM 457 NE2 GLN A 31 -14.006 -0.100 -0.040 1.00 0.00 N ATOM 0 H GLN A 31 -15.490 4.913 2.138 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.722 3.971 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.200 2.571 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.808 2.582 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.422 1.526 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.707 1.654 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.635 0.593 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.352 -0.993 -0.390 1.00 0.00 H new ATOM 466 N ALA A 32 -13.334 6.286 0.640 1.00 0.00 N ATOM 467 CA ALA A 32 -13.241 7.350 -0.353 1.00 0.00 C ATOM 468 C ALA A 32 -11.810 7.479 -0.865 1.00 0.00 C ATOM 469 O ALA A 32 -11.250 8.574 -0.908 1.00 0.00 O ATOM 470 CB ALA A 32 -13.718 8.668 0.239 1.00 0.00 C ATOM 0 H ALA A 32 -13.122 6.579 1.594 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.884 7.096 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.643 9.453 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.756 8.569 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.098 8.927 1.097 1.00 0.00 H new ATOM 476 N PHE A 33 -11.224 6.347 -1.240 1.00 0.00 N ATOM 477 CA PHE A 33 -9.854 6.323 -1.737 1.00 0.00 C ATOM 478 C PHE A 33 -8.888 6.816 -0.669 1.00 0.00 C ATOM 479 O PHE A 33 -9.283 7.069 0.469 1.00 0.00 O ATOM 480 CB PHE A 33 -9.718 7.181 -2.996 1.00 0.00 C ATOM 481 CG PHE A 33 -10.235 6.511 -4.235 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.402 5.714 -4.998 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.551 6.676 -4.633 1.00 0.00 C ATOM 484 CE1 PHE A 33 -9.868 5.092 -6.138 1.00 0.00 C ATOM 485 CE2 PHE A 33 -12.026 6.056 -5.774 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.183 5.262 -6.527 1.00 0.00 C ATOM 0 H PHE A 33 -11.677 5.434 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.606 5.292 -1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.255 8.118 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.668 7.435 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.374 5.577 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.213 7.295 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.206 4.473 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.054 6.192 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.551 4.775 -7.418 1.00 0.00 H new ATOM 496 N SER A 34 -7.623 6.947 -1.040 1.00 0.00 N ATOM 497 CA SER A 34 -6.602 7.406 -0.110 1.00 0.00 C ATOM 498 C SER A 34 -5.271 7.600 -0.826 1.00 0.00 C ATOM 499 O SER A 34 -4.956 6.886 -1.778 1.00 0.00 O ATOM 500 CB SER A 34 -6.436 6.401 1.033 1.00 0.00 C ATOM 501 OG SER A 34 -6.938 5.126 0.668 1.00 0.00 O ATOM 0 H SER A 34 -7.279 6.742 -1.978 1.00 0.00 H new ATOM 0 HA SER A 34 -6.920 8.364 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.382 6.318 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.960 6.762 1.918 1.00 0.00 H new ATOM 0 HG SER A 34 -7.656 4.869 1.283 1.00 0.00 H new ATOM 507 N ARG A 35 -4.488 8.560 -0.353 1.00 0.00 N ATOM 508 CA ARG A 35 -3.184 8.837 -0.942 1.00 0.00 C ATOM 509 C ARG A 35 -2.103 8.074 -0.190 1.00 0.00 C ATOM 510 O ARG A 35 -1.625 8.519 0.852 1.00 0.00 O ATOM 511 CB ARG A 35 -2.883 10.335 -0.913 1.00 0.00 C ATOM 512 CG ARG A 35 -1.607 10.712 -1.647 1.00 0.00 C ATOM 513 CD ARG A 35 -1.898 11.234 -3.046 1.00 0.00 C ATOM 514 NE ARG A 35 -1.289 12.541 -3.281 1.00 0.00 N ATOM 515 CZ ARG A 35 -1.070 13.051 -4.491 1.00 0.00 C ATOM 516 NH1 ARG A 35 -1.410 12.369 -5.578 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.512 14.248 -4.615 1.00 0.00 N ATOM 0 H ARG A 35 -4.732 9.159 0.435 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.198 8.510 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.720 10.874 -1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.806 10.662 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.071 11.472 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.953 9.842 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.525 10.523 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.976 11.306 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.015 13.096 -2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.842 11.449 -5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.240 12.765 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.251 14.778 -3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.344 14.639 -5.542 1.00 0.00 H new ATOM 531 N VAL A 36 -1.736 6.911 -0.716 1.00 0.00 N ATOM 532 CA VAL A 36 -0.728 6.077 -0.080 1.00 0.00 C ATOM 533 C VAL A 36 0.662 6.324 -0.650 1.00 0.00 C ATOM 534 O VAL A 36 0.891 6.204 -1.852 1.00 0.00 O ATOM 535 CB VAL A 36 -1.069 4.581 -0.206 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.076 3.737 0.578 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.488 4.316 0.272 1.00 0.00 C ATOM 0 H VAL A 36 -2.121 6.527 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.726 6.356 0.974 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.001 4.301 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.334 2.683 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.929 3.903 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.110 4.019 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.712 3.254 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.582 4.613 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.189 4.891 -0.333 1.00 0.00 H new ATOM 547 N GLN A 37 1.587 6.653 0.242 1.00 0.00 N ATOM 548 CA GLN A 37 2.970 6.905 -0.125 1.00 0.00 C ATOM 549 C GLN A 37 3.861 5.838 0.496 1.00 0.00 C ATOM 550 O GLN A 37 3.434 5.120 1.400 1.00 0.00 O ATOM 551 CB GLN A 37 3.391 8.296 0.347 1.00 0.00 C ATOM 552 CG GLN A 37 2.808 9.420 -0.489 1.00 0.00 C ATOM 553 CD GLN A 37 3.455 10.761 -0.206 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.152 11.411 0.794 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.355 11.182 -1.089 1.00 0.00 N ATOM 0 H GLN A 37 1.398 6.752 1.239 1.00 0.00 H new ATOM 0 HA GLN A 37 3.072 6.865 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.083 8.428 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.479 8.365 0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.928 9.180 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.737 9.491 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.576 10.610 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.825 12.077 -0.951 1.00 0.00 H new ATOM 564 N ILE A 38 5.093 5.721 0.015 1.00 0.00 N ATOM 565 CA ILE A 38 6.008 4.724 0.547 1.00 0.00 C ATOM 566 C ILE A 38 7.151 5.385 1.300 1.00 0.00 C ATOM 567 O ILE A 38 7.520 6.519 1.006 1.00 0.00 O ATOM 568 CB ILE A 38 6.562 3.826 -0.573 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.409 3.267 -1.407 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.398 2.695 0.013 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.854 2.336 -2.511 1.00 0.00 C ATOM 0 H ILE A 38 5.476 6.298 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 38 5.447 4.100 1.242 1.00 0.00 H new ATOM 0 HB ILE A 38 7.206 4.423 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.722 2.735 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.853 4.096 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.781 2.070 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.232 3.113 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.779 2.091 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.982 1.979 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.518 2.870 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.384 1.487 -2.079 1.00 0.00 H new ATOM 583 N TYR A 39 7.698 4.675 2.277 1.00 0.00 N ATOM 584 CA TYR A 39 8.791 5.202 3.080 1.00 0.00 C ATOM 585 C TYR A 39 10.089 4.449 2.815 1.00 0.00 C ATOM 586 O TYR A 39 10.167 3.236 3.010 1.00 0.00 O ATOM 587 CB TYR A 39 8.432 5.125 4.563 1.00 0.00 C ATOM 588 CG TYR A 39 7.663 6.330 5.050 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.477 6.715 4.436 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.129 7.089 6.113 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.776 7.821 4.870 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.436 8.198 6.554 1.00 0.00 C ATOM 593 CZ TYR A 39 6.260 8.561 5.930 1.00 0.00 C ATOM 594 OH TYR A 39 5.566 9.666 6.366 1.00 0.00 O ATOM 0 H TYR A 39 7.402 3.733 2.532 1.00 0.00 H new ATOM 0 HA TYR A 39 8.945 6.244 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.840 4.227 4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.347 5.025 5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.098 6.139 3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.049 6.808 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.855 8.106 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.812 8.779 7.383 1.00 0.00 H new ATOM 0 HH TYR A 39 6.041 10.074 7.120 1.00 0.00 H new ATOM 604 N HIS A 40 11.106 5.181 2.373 1.00 0.00 N ATOM 605 CA HIS A 40 12.403 4.590 2.083 1.00 0.00 C ATOM 606 C HIS A 40 13.350 4.750 3.269 1.00 0.00 C ATOM 607 O HIS A 40 14.100 5.722 3.352 1.00 0.00 O ATOM 608 CB HIS A 40 13.005 5.222 0.824 1.00 0.00 C ATOM 609 CG HIS A 40 14.380 4.726 0.499 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.142 5.238 -0.531 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.133 3.759 1.075 1.00 0.00 C ATOM 612 CE1 HIS A 40 16.301 4.605 -0.575 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.321 3.705 0.390 1.00 0.00 N ATOM 0 H HIS A 40 11.055 6.186 2.208 1.00 0.00 H new ATOM 0 HA HIS A 40 12.262 3.524 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.347 5.022 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.040 6.304 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.851 3.144 1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.097 4.792 -1.281 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.094 3.072 0.594 1.00 0.00 H new ATOM 622 N ASN A 41 13.301 3.786 4.185 1.00 0.00 N ATOM 623 CA ASN A 41 14.149 3.804 5.374 1.00 0.00 C ATOM 624 C ASN A 41 15.325 2.840 5.221 1.00 0.00 C ATOM 625 O ASN A 41 15.212 1.659 5.547 1.00 0.00 O ATOM 626 CB ASN A 41 13.338 3.414 6.611 1.00 0.00 C ATOM 627 CG ASN A 41 12.020 4.157 6.703 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.672 4.940 5.820 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.277 3.912 7.776 1.00 0.00 N ATOM 0 H ASN A 41 12.680 2.979 4.126 1.00 0.00 H new ATOM 0 HA ASN A 41 14.534 4.817 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.145 2.341 6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.927 3.615 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.379 4.381 7.892 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.605 3.255 8.484 1.00 0.00 H new ATOM 636 N PRO A 42 16.472 3.328 4.722 1.00 0.00 N ATOM 637 CA PRO A 42 17.660 2.496 4.532 1.00 0.00 C ATOM 638 C PRO A 42 18.420 2.252 5.834 1.00 0.00 C ATOM 639 O PRO A 42 19.230 1.330 5.924 1.00 0.00 O ATOM 640 CB PRO A 42 18.506 3.323 3.574 1.00 0.00 C ATOM 641 CG PRO A 42 18.161 4.734 3.904 1.00 0.00 C ATOM 642 CD PRO A 42 16.707 4.724 4.301 1.00 0.00 C ATOM 0 HA PRO A 42 17.408 1.502 4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.570 3.130 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.274 3.089 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.785 5.109 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.327 5.387 3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.508 5.426 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.062 5.006 3.469 1.00 0.00 H new ATOM 650 N THR A 43 18.155 3.082 6.843 1.00 0.00 N ATOM 651 CA THR A 43 18.817 2.949 8.138 1.00 0.00 C ATOM 652 C THR A 43 18.791 1.500 8.615 1.00 0.00 C ATOM 653 O THR A 43 19.753 1.011 9.207 1.00 0.00 O ATOM 654 CB THR A 43 18.143 3.850 9.174 1.00 0.00 C ATOM 655 OG1 THR A 43 16.748 3.930 8.938 1.00 0.00 O ATOM 656 CG2 THR A 43 18.688 5.262 9.183 1.00 0.00 C ATOM 0 H THR A 43 17.488 3.852 6.788 1.00 0.00 H new ATOM 0 HA THR A 43 19.856 3.256 8.020 1.00 0.00 H new ATOM 0 HB THR A 43 18.354 3.389 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.335 4.509 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.167 5.848 9.940 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.754 5.239 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.536 5.717 8.204 1.00 0.00 H new ATOM 664 N ALA A 44 17.685 0.819 8.340 1.00 0.00 N ATOM 665 CA ALA A 44 17.526 -0.578 8.725 1.00 0.00 C ATOM 666 C ALA A 44 17.402 -1.477 7.495 1.00 0.00 C ATOM 667 O ALA A 44 17.388 -2.702 7.613 1.00 0.00 O ATOM 668 CB ALA A 44 16.312 -0.741 9.627 1.00 0.00 C ATOM 0 H ALA A 44 16.882 1.213 7.850 1.00 0.00 H new ATOM 0 HA ALA A 44 18.416 -0.882 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.205 -1.789 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.442 -0.137 10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.418 -0.414 9.096 1.00 0.00 H new ATOM 674 N ASN A 45 17.304 -0.860 6.316 1.00 0.00 N ATOM 675 CA ASN A 45 17.174 -1.602 5.065 1.00 0.00 C ATOM 676 C ASN A 45 15.758 -2.142 4.913 1.00 0.00 C ATOM 677 O ASN A 45 15.554 -3.274 4.473 1.00 0.00 O ATOM 678 CB ASN A 45 18.190 -2.748 4.999 1.00 0.00 C ATOM 679 CG ASN A 45 18.996 -2.732 3.714 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.200 -2.995 3.721 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.339 -2.425 2.601 1.00 0.00 N ATOM 0 H ASN A 45 17.312 0.154 6.203 1.00 0.00 H new ATOM 0 HA ASN A 45 17.379 -0.917 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.867 -2.679 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.666 -3.700 5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.832 -2.401 1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.342 -2.214 2.639 1.00 0.00 H new ATOM 688 N SER A 46 14.785 -1.319 5.282 1.00 0.00 N ATOM 689 CA SER A 46 13.382 -1.702 5.192 1.00 0.00 C ATOM 690 C SER A 46 12.550 -0.568 4.608 1.00 0.00 C ATOM 691 O SER A 46 13.037 0.551 4.444 1.00 0.00 O ATOM 692 CB SER A 46 12.846 -2.085 6.574 1.00 0.00 C ATOM 693 OG SER A 46 13.863 -2.661 7.375 1.00 0.00 O ATOM 0 H SER A 46 14.942 -0.380 5.647 1.00 0.00 H new ATOM 0 HA SER A 46 13.306 -2.565 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.446 -1.201 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.022 -2.790 6.465 1.00 0.00 H new ATOM 0 HG SER A 46 13.495 -2.895 8.253 1.00 0.00 H new ATOM 699 N PHE A 47 11.294 -0.862 4.292 1.00 0.00 N ATOM 700 CA PHE A 47 10.400 0.136 3.723 1.00 0.00 C ATOM 701 C PHE A 47 9.068 0.156 4.463 1.00 0.00 C ATOM 702 O PHE A 47 8.814 -0.693 5.318 1.00 0.00 O ATOM 703 CB PHE A 47 10.191 -0.141 2.236 1.00 0.00 C ATOM 704 CG PHE A 47 11.383 0.226 1.404 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.516 1.502 0.887 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.375 -0.702 1.149 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.618 1.847 0.129 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.482 -0.365 0.392 1.00 0.00 C ATOM 709 CZ PHE A 47 13.603 0.912 -0.119 1.00 0.00 C ATOM 0 H PHE A 47 10.873 -1.782 4.420 1.00 0.00 H new ATOM 0 HA PHE A 47 10.857 1.119 3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.967 -1.199 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.323 0.417 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.749 2.238 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.284 -1.702 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.709 2.847 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.251 -1.099 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.466 1.179 -0.711 1.00 0.00 H new ATOM 719 N ARG A 48 8.226 1.135 4.149 1.00 0.00 N ATOM 720 CA ARG A 48 6.933 1.259 4.811 1.00 0.00 C ATOM 721 C ARG A 48 5.895 1.923 3.914 1.00 0.00 C ATOM 722 O ARG A 48 6.212 2.811 3.127 1.00 0.00 O ATOM 723 CB ARG A 48 7.087 2.070 6.101 1.00 0.00 C ATOM 724 CG ARG A 48 6.239 1.560 7.252 1.00 0.00 C ATOM 725 CD ARG A 48 5.893 2.675 8.226 1.00 0.00 C ATOM 726 NE ARG A 48 5.792 2.190 9.601 1.00 0.00 N ATOM 727 CZ ARG A 48 5.878 2.976 10.671 1.00 0.00 C ATOM 728 NH1 ARG A 48 6.063 4.283 10.533 1.00 0.00 N ATOM 729 NH2 ARG A 48 5.777 2.453 11.886 1.00 0.00 N ATOM 0 H ARG A 48 8.414 1.849 3.445 1.00 0.00 H new ATOM 0 HA ARG A 48 6.583 0.253 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.135 2.060 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.823 3.108 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.322 1.119 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.775 0.770 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.654 3.453 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.948 3.132 7.933 1.00 0.00 H new ATOM 0 HE ARG A 48 5.647 1.191 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.140 4.692 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.128 4.879 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.634 1.449 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.843 3.054 12.707 1.00 0.00 H new ATOM 743 N VAL A 49 4.646 1.496 4.061 1.00 0.00 N ATOM 744 CA VAL A 49 3.549 2.058 3.290 1.00 0.00 C ATOM 745 C VAL A 49 2.682 2.933 4.191 1.00 0.00 C ATOM 746 O VAL A 49 2.283 2.515 5.278 1.00 0.00 O ATOM 747 CB VAL A 49 2.688 0.953 2.642 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.196 -0.035 3.690 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.520 1.558 1.877 1.00 0.00 C ATOM 0 H VAL A 49 4.370 0.759 4.710 1.00 0.00 H new ATOM 0 HA VAL A 49 3.974 2.663 2.489 1.00 0.00 H new ATOM 0 HB VAL A 49 3.312 0.409 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.592 -0.804 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.051 -0.500 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.593 0.490 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.927 0.761 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.896 2.134 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.899 2.213 1.093 1.00 0.00 H new ATOM 759 N VAL A 50 2.411 4.153 3.747 1.00 0.00 N ATOM 760 CA VAL A 50 1.609 5.084 4.534 1.00 0.00 C ATOM 761 C VAL A 50 0.623 5.840 3.655 1.00 0.00 C ATOM 762 O VAL A 50 1.019 6.560 2.741 1.00 0.00 O ATOM 763 CB VAL A 50 2.498 6.102 5.282 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.822 6.559 6.562 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.869 5.510 5.582 1.00 0.00 C ATOM 0 H VAL A 50 2.732 4.521 2.851 1.00 0.00 H new ATOM 0 HA VAL A 50 1.059 4.488 5.262 1.00 0.00 H new ATOM 0 HB VAL A 50 2.638 6.969 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.463 7.276 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.869 7.031 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.648 5.699 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.476 6.246 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.754 4.622 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.360 5.237 4.648 1.00 0.00 H new ATOM 775 N GLY A 51 -0.663 5.672 3.937 1.00 0.00 N ATOM 776 CA GLY A 51 -1.682 6.346 3.157 1.00 0.00 C ATOM 777 C GLY A 51 -2.847 6.819 3.997 1.00 0.00 C ATOM 778 O GLY A 51 -3.179 6.209 5.013 1.00 0.00 O ATOM 0 H GLY A 51 -1.018 5.082 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.237 7.201 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.048 5.670 2.385 1.00 0.00 H new ATOM 782 N ARG A 52 -3.471 7.909 3.566 1.00 0.00 N ATOM 783 CA ARG A 52 -4.611 8.472 4.278 1.00 0.00 C ATOM 784 C ARG A 52 -5.777 8.703 3.325 1.00 0.00 C ATOM 785 O ARG A 52 -5.593 8.785 2.111 1.00 0.00 O ATOM 786 CB ARG A 52 -4.220 9.787 4.954 1.00 0.00 C ATOM 787 CG ARG A 52 -3.418 10.717 4.058 1.00 0.00 C ATOM 788 CD ARG A 52 -3.597 12.172 4.461 1.00 0.00 C ATOM 789 NE ARG A 52 -3.842 13.033 3.306 1.00 0.00 N ATOM 790 CZ ARG A 52 -3.684 14.355 3.320 1.00 0.00 C ATOM 791 NH1 ARG A 52 -3.281 14.971 4.423 1.00 0.00 N ATOM 792 NH2 ARG A 52 -3.930 15.063 2.225 1.00 0.00 N ATOM 0 H ARG A 52 -3.206 8.421 2.725 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.921 7.760 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.124 10.301 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.638 9.567 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.362 10.452 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.730 10.584 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.430 12.255 5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.706 12.515 4.987 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.152 12.596 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.090 14.432 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.162 15.984 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.240 14.594 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.809 16.076 2.235 1.00 0.00 H new ATOM 806 N LYS A 53 -6.978 8.806 3.882 1.00 0.00 N ATOM 807 CA LYS A 53 -8.173 9.027 3.075 1.00 0.00 C ATOM 808 C LYS A 53 -8.159 10.418 2.450 1.00 0.00 C ATOM 809 O LYS A 53 -7.363 11.274 2.835 1.00 0.00 O ATOM 810 CB LYS A 53 -9.430 8.854 3.930 1.00 0.00 C ATOM 811 CG LYS A 53 -10.494 7.983 3.280 1.00 0.00 C ATOM 812 CD LYS A 53 -10.493 6.578 3.858 1.00 0.00 C ATOM 813 CE LYS A 53 -11.074 5.570 2.878 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.294 4.302 2.859 1.00 0.00 N ATOM 0 H LYS A 53 -7.150 8.740 4.885 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.181 8.288 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.150 8.416 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.854 9.836 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.475 8.436 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.320 7.935 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.474 6.290 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.071 6.563 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.108 5.356 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.088 6.003 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.942 3.497 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.620 4.321 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.774 4.201 3.754 1.00 0.00 H new ATOM 828 N MET A 54 -9.047 10.636 1.486 1.00 0.00 N ATOM 829 CA MET A 54 -9.141 11.925 0.811 1.00 0.00 C ATOM 830 C MET A 54 -10.403 12.667 1.235 1.00 0.00 C ATOM 831 O MET A 54 -11.127 13.215 0.403 1.00 0.00 O ATOM 832 CB MET A 54 -9.129 11.733 -0.708 1.00 0.00 C ATOM 833 CG MET A 54 -8.084 10.739 -1.188 1.00 0.00 C ATOM 834 SD MET A 54 -7.513 11.087 -2.862 1.00 0.00 S ATOM 835 CE MET A 54 -5.804 11.525 -2.552 1.00 0.00 C ATOM 0 H MET A 54 -9.712 9.937 1.155 1.00 0.00 H new ATOM 0 HA MET A 54 -8.276 12.523 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.114 11.396 -1.031 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.949 12.696 -1.186 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.233 10.755 -0.507 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.502 9.733 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.538 12.398 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.673 11.755 -1.495 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.159 10.689 -2.824 1.00 0.00 H new ATOM 845 N GLN A 55 -10.659 12.683 2.538 1.00 0.00 N ATOM 846 CA GLN A 55 -11.831 13.358 3.082 1.00 0.00 C ATOM 847 C GLN A 55 -11.424 14.404 4.118 1.00 0.00 C ATOM 848 O GLN A 55 -10.317 14.359 4.653 1.00 0.00 O ATOM 849 CB GLN A 55 -12.789 12.341 3.712 1.00 0.00 C ATOM 850 CG GLN A 55 -12.091 11.253 4.512 1.00 0.00 C ATOM 851 CD GLN A 55 -13.006 10.607 5.534 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.868 11.263 6.116 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.822 9.310 5.758 1.00 0.00 N ATOM 0 H GLN A 55 -10.069 12.235 3.239 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.341 13.864 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.486 12.868 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.380 11.876 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.716 10.489 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.226 11.679 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.095 8.803 5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.408 8.821 6.435 1.00 0.00 H new ATOM 862 N PRO A 56 -12.317 15.364 4.415 1.00 0.00 N ATOM 863 CA PRO A 56 -12.049 16.425 5.389 1.00 0.00 C ATOM 864 C PRO A 56 -11.513 15.881 6.710 1.00 0.00 C ATOM 865 O PRO A 56 -10.817 16.583 7.445 1.00 0.00 O ATOM 866 CB PRO A 56 -13.418 17.094 5.598 1.00 0.00 C ATOM 867 CG PRO A 56 -14.411 16.212 4.913 1.00 0.00 C ATOM 868 CD PRO A 56 -13.657 15.499 3.830 1.00 0.00 C ATOM 0 HA PRO A 56 -11.282 17.111 5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.648 17.191 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.431 18.099 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.851 15.502 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.230 16.798 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.099 14.530 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.640 16.071 2.903 1.00 0.00 H new ATOM 876 N ASP A 57 -11.840 14.627 7.009 1.00 0.00 N ATOM 877 CA ASP A 57 -11.387 13.994 8.241 1.00 0.00 C ATOM 878 C ASP A 57 -9.904 13.644 8.158 1.00 0.00 C ATOM 879 O ASP A 57 -9.151 13.861 9.107 1.00 0.00 O ATOM 880 CB ASP A 57 -12.206 12.732 8.523 1.00 0.00 C ATOM 881 CG ASP A 57 -13.411 13.010 9.402 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.257 13.730 10.410 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.508 12.507 9.080 1.00 0.00 O ATOM 0 H ASP A 57 -12.416 14.031 6.415 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.531 14.701 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.540 12.300 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.570 11.990 9.006 1.00 0.00 H new ATOM 888 N GLN A 58 -9.494 13.101 7.016 1.00 0.00 N ATOM 889 CA GLN A 58 -8.102 12.721 6.805 1.00 0.00 C ATOM 890 C GLN A 58 -7.645 11.713 7.855 1.00 0.00 C ATOM 891 O GLN A 58 -7.352 12.076 8.994 1.00 0.00 O ATOM 892 CB GLN A 58 -7.203 13.959 6.839 1.00 0.00 C ATOM 893 CG GLN A 58 -6.281 14.072 5.636 1.00 0.00 C ATOM 894 CD GLN A 58 -6.759 15.100 4.629 1.00 0.00 C ATOM 895 OE1 GLN A 58 -7.804 14.932 4.002 1.00 0.00 O ATOM 896 NE2 GLN A 58 -5.992 16.172 4.470 1.00 0.00 N ATOM 0 H GLN A 58 -10.107 12.914 6.222 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.025 12.252 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.828 14.851 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.601 13.936 7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.280 14.339 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.205 13.100 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.133 16.270 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.262 16.898 3.806 1.00 0.00 H new ATOM 905 N GLN A 59 -7.585 10.445 7.460 1.00 0.00 N ATOM 906 CA GLN A 59 -7.163 9.381 8.364 1.00 0.00 C ATOM 907 C GLN A 59 -6.295 8.363 7.634 1.00 0.00 C ATOM 908 O GLN A 59 -6.585 7.992 6.496 1.00 0.00 O ATOM 909 CB GLN A 59 -8.384 8.689 8.972 1.00 0.00 C ATOM 910 CG GLN A 59 -9.209 7.907 7.961 1.00 0.00 C ATOM 911 CD GLN A 59 -10.560 7.493 8.509 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.367 8.334 8.905 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.814 6.189 8.534 1.00 0.00 N ATOM 0 H GLN A 59 -7.823 10.129 6.520 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.572 9.827 9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.053 8.012 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.019 9.439 9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.354 8.515 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.657 7.018 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.116 5.527 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.707 5.850 8.892 1.00 0.00 H new ATOM 922 N VAL A 60 -5.232 7.911 8.290 1.00 0.00 N ATOM 923 CA VAL A 60 -4.331 6.935 7.693 1.00 0.00 C ATOM 924 C VAL A 60 -5.013 5.579 7.553 1.00 0.00 C ATOM 925 O VAL A 60 -5.450 4.987 8.541 1.00 0.00 O ATOM 926 CB VAL A 60 -3.032 6.783 8.510 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.381 8.140 8.728 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.300 6.089 9.840 1.00 0.00 C ATOM 0 H VAL A 60 -4.974 8.204 9.232 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.070 7.307 6.702 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.343 6.158 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.465 8.016 9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.143 8.589 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.067 8.790 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.367 5.995 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.011 6.677 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.714 5.098 9.656 1.00 0.00 H new ATOM 938 N VAL A 61 -5.104 5.094 6.321 1.00 0.00 N ATOM 939 CA VAL A 61 -5.738 3.811 6.050 1.00 0.00 C ATOM 940 C VAL A 61 -4.706 2.682 6.020 1.00 0.00 C ATOM 941 O VAL A 61 -5.045 1.514 6.210 1.00 0.00 O ATOM 942 CB VAL A 61 -6.516 3.840 4.715 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.323 5.124 4.592 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.574 3.690 3.530 1.00 0.00 C ATOM 0 H VAL A 61 -4.746 5.571 5.493 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.443 3.623 6.860 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.205 2.995 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.863 5.125 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.034 5.187 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.651 5.981 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.148 3.714 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.854 4.508 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.044 2.740 3.604 1.00 0.00 H new ATOM 954 N ILE A 62 -3.446 3.041 5.786 1.00 0.00 N ATOM 955 CA ILE A 62 -2.367 2.064 5.738 1.00 0.00 C ATOM 956 C ILE A 62 -1.134 2.594 6.457 1.00 0.00 C ATOM 957 O ILE A 62 -0.756 3.753 6.286 1.00 0.00 O ATOM 958 CB ILE A 62 -1.992 1.699 4.285 1.00 0.00 C ATOM 959 CG1 ILE A 62 -1.048 0.497 4.266 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.353 2.887 3.578 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.138 -0.322 2.996 1.00 0.00 C ATOM 0 H ILE A 62 -3.149 4.004 5.627 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.725 1.165 6.239 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.905 1.435 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.024 0.848 4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.272 -0.144 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.097 2.607 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.055 3.721 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.449 3.184 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.441 -1.158 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.153 -0.703 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.885 0.304 2.140 1.00 0.00 H new ATOM 973 N ASN A 63 -0.514 1.746 7.263 1.00 0.00 N ATOM 974 CA ASN A 63 0.673 2.141 8.008 1.00 0.00 C ATOM 975 C ASN A 63 1.458 0.916 8.471 1.00 0.00 C ATOM 976 O ASN A 63 1.597 0.667 9.668 1.00 0.00 O ATOM 977 CB ASN A 63 0.270 3.007 9.204 1.00 0.00 C ATOM 978 CG ASN A 63 -0.632 2.272 10.177 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.161 1.613 11.103 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.939 2.386 9.972 1.00 0.00 N ATOM 0 H ASN A 63 -0.811 0.783 7.418 1.00 0.00 H new ATOM 0 HA ASN A 63 1.320 2.723 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.167 3.340 9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.240 3.901 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.596 1.917 10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.286 2.943 9.191 1.00 0.00 H new ATOM 987 N CYS A 64 1.970 0.154 7.508 1.00 0.00 N ATOM 988 CA CYS A 64 2.742 -1.047 7.810 1.00 0.00 C ATOM 989 C CYS A 64 4.074 -1.040 7.066 1.00 0.00 C ATOM 990 O CYS A 64 4.171 -0.521 5.954 1.00 0.00 O ATOM 991 CB CYS A 64 1.943 -2.299 7.440 1.00 0.00 C ATOM 992 SG CYS A 64 2.160 -3.679 8.588 1.00 0.00 S ATOM 0 H CYS A 64 1.864 0.347 6.512 1.00 0.00 H new ATOM 0 HA CYS A 64 2.946 -1.058 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.885 -2.041 7.394 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.236 -2.622 6.441 1.00 0.00 H new ATOM 0 HG CYS A 64 1.444 -4.689 8.192 1.00 0.00 H new ATOM 998 N ALA A 65 5.097 -1.618 7.687 1.00 0.00 N ATOM 999 CA ALA A 65 6.425 -1.676 7.085 1.00 0.00 C ATOM 1000 C ALA A 65 6.565 -2.873 6.151 1.00 0.00 C ATOM 1001 O ALA A 65 6.154 -3.984 6.486 1.00 0.00 O ATOM 1002 CB ALA A 65 7.492 -1.725 8.169 1.00 0.00 C ATOM 0 H ALA A 65 5.032 -2.053 8.607 1.00 0.00 H new ATOM 0 HA ALA A 65 6.561 -0.773 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.478 -1.768 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.421 -0.832 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.342 -2.610 8.787 1.00 0.00 H new ATOM 1008 N ILE A 66 7.156 -2.642 4.981 1.00 0.00 N ATOM 1009 CA ILE A 66 7.358 -3.707 4.005 1.00 0.00 C ATOM 1010 C ILE A 66 8.828 -4.089 3.912 1.00 0.00 C ATOM 1011 O ILE A 66 9.662 -3.289 3.486 1.00 0.00 O ATOM 1012 CB ILE A 66 6.862 -3.306 2.602 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.349 -1.910 2.233 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.344 -3.381 2.530 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.755 -1.797 0.781 1.00 0.00 C ATOM 0 H ILE A 66 7.502 -1.729 4.687 1.00 0.00 H new ATOM 0 HA ILE A 66 6.775 -4.559 4.354 1.00 0.00 H new ATOM 0 HB ILE A 66 7.276 -4.011 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.560 -1.188 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.198 -1.647 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.012 -3.094 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.020 -4.400 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.911 -2.702 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.093 -0.781 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.564 -2.498 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.901 -2.031 0.145 1.00 0.00 H new ATOM 1027 N VAL A 67 9.142 -5.315 4.311 1.00 0.00 N ATOM 1028 CA VAL A 67 10.514 -5.800 4.267 1.00 0.00 C ATOM 1029 C VAL A 67 10.727 -6.727 3.076 1.00 0.00 C ATOM 1030 O VAL A 67 9.769 -7.196 2.462 1.00 0.00 O ATOM 1031 CB VAL A 67 10.905 -6.541 5.561 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.292 -5.548 6.646 1.00 0.00 C ATOM 1033 CG2 VAL A 67 9.772 -7.443 6.031 1.00 0.00 C ATOM 0 H VAL A 67 8.466 -5.990 4.668 1.00 0.00 H new ATOM 0 HA VAL A 67 11.152 -4.922 4.164 1.00 0.00 H new ATOM 0 HB VAL A 67 11.769 -7.170 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.565 -6.088 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.140 -4.953 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.448 -4.891 6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.071 -7.956 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.884 -6.841 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.549 -8.179 5.259 1.00 0.00 H new ATOM 1043 N ARG A 68 11.991 -6.981 2.752 1.00 0.00 N ATOM 1044 CA ARG A 68 12.341 -7.849 1.630 1.00 0.00 C ATOM 1045 C ARG A 68 11.519 -9.134 1.650 1.00 0.00 C ATOM 1046 O ARG A 68 11.857 -10.084 2.354 1.00 0.00 O ATOM 1047 CB ARG A 68 13.830 -8.191 1.681 1.00 0.00 C ATOM 1048 CG ARG A 68 14.297 -9.044 0.513 1.00 0.00 C ATOM 1049 CD ARG A 68 15.197 -10.181 0.976 1.00 0.00 C ATOM 1050 NE ARG A 68 16.613 -9.842 0.855 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.592 -10.744 0.850 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.315 -12.036 0.961 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.854 -10.350 0.733 1.00 0.00 N ATOM 0 H ARG A 68 12.793 -6.597 3.252 1.00 0.00 H new ATOM 0 HA ARG A 68 12.119 -7.314 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.407 -7.266 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.042 -8.717 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.432 -9.453 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.835 -8.421 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.970 -10.424 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.986 -11.073 0.387 1.00 0.00 H new ATOM 0 HE ARG A 68 16.866 -8.858 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.347 -12.344 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.070 -12.722 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.072 -9.357 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.605 -11.040 0.729 1.00 0.00 H new ATOM 1067 N GLY A 69 10.439 -9.162 0.872 1.00 0.00 N ATOM 1068 CA GLY A 69 9.602 -10.346 0.829 1.00 0.00 C ATOM 1069 C GLY A 69 8.227 -10.098 0.234 1.00 0.00 C ATOM 1070 O GLY A 69 7.555 -11.042 -0.180 1.00 0.00 O ATOM 0 H GLY A 69 10.132 -8.393 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.107 -11.117 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.486 -10.736 1.840 1.00 0.00 H new ATOM 1074 N VAL A 70 7.792 -8.840 0.192 1.00 0.00 N ATOM 1075 CA VAL A 70 6.481 -8.522 -0.355 1.00 0.00 C ATOM 1076 C VAL A 70 6.561 -8.246 -1.854 1.00 0.00 C ATOM 1077 O VAL A 70 7.252 -7.326 -2.294 1.00 0.00 O ATOM 1078 CB VAL A 70 5.841 -7.319 0.382 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.878 -6.559 -0.512 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.117 -7.791 1.627 1.00 0.00 C ATOM 0 H VAL A 70 8.323 -8.036 0.526 1.00 0.00 H new ATOM 0 HA VAL A 70 5.844 -9.393 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 70 6.647 -6.641 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.450 -5.723 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.412 -6.181 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.079 -7.226 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.672 -6.936 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.333 -8.495 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.824 -8.282 2.295 1.00 0.00 H new ATOM 1090 N LYS A 71 5.841 -9.051 -2.629 1.00 0.00 N ATOM 1091 CA LYS A 71 5.818 -8.905 -4.079 1.00 0.00 C ATOM 1092 C LYS A 71 4.452 -8.412 -4.546 1.00 0.00 C ATOM 1093 O LYS A 71 3.461 -9.138 -4.480 1.00 0.00 O ATOM 1094 CB LYS A 71 6.149 -10.238 -4.752 1.00 0.00 C ATOM 1095 CG LYS A 71 6.358 -10.125 -6.253 1.00 0.00 C ATOM 1096 CD LYS A 71 7.823 -9.906 -6.596 1.00 0.00 C ATOM 1097 CE LYS A 71 8.067 -10.016 -8.092 1.00 0.00 C ATOM 1098 NZ LYS A 71 9.517 -10.138 -8.410 1.00 0.00 N ATOM 0 H LYS A 71 5.264 -9.814 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 71 6.571 -8.169 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.050 -10.651 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.342 -10.944 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.001 -11.032 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.764 -9.298 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.137 -8.922 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.434 -10.640 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.535 -10.883 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.658 -9.138 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.642 -10.211 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.021 -9.299 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.902 -10.990 -7.954 1.00 0.00 H new ATOM 1112 N TYR A 72 4.409 -7.170 -5.016 1.00 0.00 N ATOM 1113 CA TYR A 72 3.168 -6.567 -5.495 1.00 0.00 C ATOM 1114 C TYR A 72 2.441 -7.494 -6.468 1.00 0.00 C ATOM 1115 O TYR A 72 2.853 -7.652 -7.617 1.00 0.00 O ATOM 1116 CB TYR A 72 3.470 -5.224 -6.169 1.00 0.00 C ATOM 1117 CG TYR A 72 3.099 -4.018 -5.332 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.049 -4.096 -3.945 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.807 -2.796 -5.929 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.717 -2.997 -3.179 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.476 -1.690 -5.170 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.432 -1.797 -3.795 1.00 0.00 C ATOM 1123 OH TYR A 72 2.107 -0.700 -3.032 1.00 0.00 O ATOM 0 H TYR A 72 5.223 -6.558 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 72 2.515 -6.403 -4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.534 -5.178 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.933 -5.175 -7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.274 -5.033 -3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.840 -2.710 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.681 -3.077 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.253 -0.748 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 72 1.307 -0.270 -3.401 1.00 0.00 H new ATOM 1133 N ASN A 73 1.359 -8.105 -5.994 1.00 0.00 N ATOM 1134 CA ASN A 73 0.571 -9.017 -6.815 1.00 0.00 C ATOM 1135 C ASN A 73 -0.588 -8.283 -7.482 1.00 0.00 C ATOM 1136 O ASN A 73 -1.689 -8.214 -6.936 1.00 0.00 O ATOM 1137 CB ASN A 73 0.041 -10.174 -5.963 1.00 0.00 C ATOM 1138 CG ASN A 73 0.554 -11.521 -6.432 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.206 -12.246 -5.680 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.262 -11.864 -7.681 1.00 0.00 N ATOM 0 H ASN A 73 1.008 -7.984 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 73 1.218 -9.419 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.332 -10.019 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.049 -10.173 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.581 -12.759 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.281 -11.232 -8.270 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.331 -7.738 -8.666 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.352 -7.009 -9.410 1.00 0.00 C ATOM 1149 C GLN A 74 -2.558 -7.898 -9.695 1.00 0.00 C ATOM 1150 O GLN A 74 -2.610 -8.581 -10.718 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.772 -6.479 -10.723 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.727 -5.577 -11.489 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.279 -4.128 -11.501 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -0.239 -3.792 -12.066 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.067 -3.261 -10.875 1.00 0.00 N ATOM 0 H GLN A 74 0.575 -7.787 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.681 -6.168 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.144 -5.927 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.496 -7.323 -11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.814 -5.935 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.719 -5.643 -11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.921 -3.584 -10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.819 -2.272 -10.850 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.524 -7.883 -8.782 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.731 -8.688 -8.933 1.00 0.00 C ATOM 1166 C ALA A 75 -5.481 -8.318 -10.207 1.00 0.00 C ATOM 1167 O ALA A 75 -5.955 -9.189 -10.937 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.631 -8.517 -7.719 1.00 0.00 C ATOM 0 H ALA A 75 -3.495 -7.323 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.435 -9.734 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.529 -9.123 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.099 -8.837 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.912 -7.469 -7.619 1.00 0.00 H new ATOM 1174 N THR A 76 -5.586 -7.019 -10.468 1.00 0.00 N ATOM 1175 CA THR A 76 -6.280 -6.528 -11.654 1.00 0.00 C ATOM 1176 C THR A 76 -5.583 -5.285 -12.206 1.00 0.00 C ATOM 1177 O THR A 76 -4.667 -4.751 -11.581 1.00 0.00 O ATOM 1178 CB THR A 76 -7.743 -6.214 -11.325 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.871 -4.906 -10.796 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.356 -7.173 -10.326 1.00 0.00 C ATOM 0 H THR A 76 -5.199 -6.286 -9.873 1.00 0.00 H new ATOM 0 HA THR A 76 -6.253 -7.307 -12.416 1.00 0.00 H new ATOM 0 HB THR A 76 -8.275 -6.312 -12.271 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.813 -4.725 -10.594 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.392 -6.891 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.322 -8.186 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.796 -7.133 -9.392 1.00 0.00 H new ATOM 1188 N PRO A 77 -6.007 -4.802 -13.388 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.413 -3.615 -14.011 1.00 0.00 C ATOM 1190 C PRO A 77 -5.323 -2.436 -13.047 1.00 0.00 C ATOM 1191 O PRO A 77 -4.486 -1.550 -13.212 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.374 -3.300 -15.158 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.984 -4.613 -15.504 1.00 0.00 C ATOM 1194 CD PRO A 77 -7.095 -5.369 -14.209 1.00 0.00 C ATOM 0 HA PRO A 77 -4.387 -3.793 -14.334 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.132 -2.578 -14.854 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.848 -2.870 -16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.963 -4.480 -15.964 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.366 -5.154 -16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.069 -5.224 -13.741 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.969 -6.441 -14.358 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.190 -2.434 -12.038 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.206 -1.366 -11.046 1.00 0.00 C ATOM 1204 C ASN A 78 -6.361 -1.937 -9.638 1.00 0.00 C ATOM 1205 O ASN A 78 -7.298 -1.594 -8.916 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.341 -0.381 -11.352 1.00 0.00 C ATOM 1207 CG ASN A 78 -6.826 0.979 -11.782 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -5.803 1.083 -12.459 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -7.536 2.030 -11.392 1.00 0.00 N ATOM 0 H ASN A 78 -6.890 -3.160 -11.887 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.255 -0.835 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.973 -0.792 -12.139 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.967 -0.266 -10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.240 2.971 -11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.378 1.897 -10.832 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.435 -2.810 -9.250 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.478 -3.423 -7.928 1.00 0.00 C ATOM 1218 C PHE A 79 -4.113 -3.972 -7.522 1.00 0.00 C ATOM 1219 O PHE A 79 -3.618 -4.932 -8.113 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.519 -4.544 -7.897 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.317 -4.588 -6.625 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -8.459 -3.815 -6.482 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -6.927 -5.401 -5.573 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -9.196 -3.852 -5.314 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -7.661 -5.442 -4.401 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.796 -4.667 -4.272 1.00 0.00 C ATOM 0 H PHE A 79 -4.650 -3.107 -9.830 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.758 -2.649 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.200 -4.420 -8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.015 -5.501 -8.033 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.776 -3.176 -7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.040 -6.010 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.084 -3.245 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.346 -6.080 -3.588 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.371 -4.698 -3.358 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.515 -3.365 -6.499 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.215 -3.803 -6.002 1.00 0.00 C ATOM 1238 C HIS A 80 -2.370 -4.495 -4.652 1.00 0.00 C ATOM 1239 O HIS A 80 -2.602 -3.846 -3.631 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.255 -2.621 -5.890 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.588 -2.290 -7.189 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.304 -1.250 -7.340 1.00 0.00 N ATOM 1243 CD2 HIS A 80 -0.694 -2.871 -8.410 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.715 -1.204 -8.594 1.00 0.00 C ATOM 1245 NE2 HIS A 80 0.126 -2.177 -9.262 1.00 0.00 N ATOM 0 H HIS A 80 -3.911 -2.569 -5.999 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.797 -4.516 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.801 -1.747 -5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.494 -2.847 -5.143 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.600 -0.615 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.309 -3.721 -8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.415 -0.491 -9.003 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.265 -5.818 -4.662 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.418 -6.611 -3.447 1.00 0.00 C ATOM 1256 C GLN A 81 -1.126 -7.346 -3.091 1.00 0.00 C ATOM 1257 O GLN A 81 -0.565 -8.068 -3.915 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.566 -7.612 -3.635 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.550 -8.779 -2.658 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.166 -10.089 -3.319 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -4.015 -10.792 -3.868 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -1.883 -10.424 -3.270 1.00 0.00 N ATOM 0 H GLN A 81 -2.074 -6.367 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.649 -5.937 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.513 -7.083 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.527 -8.004 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.848 -8.564 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.536 -8.881 -2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.213 -9.811 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.566 -11.294 -3.698 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.670 -7.171 -1.852 1.00 0.00 N ATOM 1272 CA TRP A 82 0.545 -7.838 -1.387 1.00 0.00 C ATOM 1273 C TRP A 82 0.351 -8.471 -0.016 1.00 0.00 C ATOM 1274 O TRP A 82 -0.326 -7.916 0.849 1.00 0.00 O ATOM 1275 CB TRP A 82 1.727 -6.869 -1.317 1.00 0.00 C ATOM 1276 CG TRP A 82 1.485 -5.671 -0.450 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.857 -5.519 0.856 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.832 -4.453 -0.824 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.479 -4.281 1.314 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.848 -3.609 0.301 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.237 -3.995 -2.003 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.293 -2.332 0.282 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.313 -2.727 -2.020 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.280 -1.910 -0.884 1.00 0.00 C ATOM 0 H TRP A 82 -1.120 -6.577 -1.156 1.00 0.00 H new ATOM 0 HA TRP A 82 0.761 -8.619 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.600 -7.404 -0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.967 -6.532 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.373 -6.264 1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.641 -3.921 2.254 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.208 -4.620 -2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.315 -1.699 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.776 -2.361 -2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.717 -0.924 -0.930 1.00 0.00 H new ATOM 1295 N ARG A 83 0.980 -9.625 0.178 1.00 0.00 N ATOM 1296 CA ARG A 83 0.919 -10.337 1.448 1.00 0.00 C ATOM 1297 C ARG A 83 2.285 -10.286 2.119 1.00 0.00 C ATOM 1298 O ARG A 83 3.252 -10.857 1.615 1.00 0.00 O ATOM 1299 CB ARG A 83 0.491 -11.789 1.227 1.00 0.00 C ATOM 1300 CG ARG A 83 0.434 -12.608 2.507 1.00 0.00 C ATOM 1301 CD ARG A 83 0.909 -14.034 2.277 1.00 0.00 C ATOM 1302 NE ARG A 83 2.339 -14.094 1.985 1.00 0.00 N ATOM 1303 CZ ARG A 83 3.289 -14.032 2.915 1.00 0.00 C ATOM 1304 NH1 ARG A 83 2.966 -13.911 4.197 1.00 0.00 N ATOM 1305 NH2 ARG A 83 4.566 -14.091 2.564 1.00 0.00 N ATOM 0 H ARG A 83 1.542 -10.090 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 83 0.181 -9.859 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.491 -11.802 0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.186 -12.262 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.053 -12.136 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.587 -12.620 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.694 -14.635 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.351 -14.473 1.450 1.00 0.00 H new ATOM 0 HE ARG A 83 2.626 -14.189 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.985 -13.865 4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.699 -13.864 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.821 -14.184 1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.294 -14.043 3.277 1.00 0.00 H new ATOM 1319 N ASP A 84 2.372 -9.579 3.239 1.00 0.00 N ATOM 1320 CA ASP A 84 3.640 -9.438 3.942 1.00 0.00 C ATOM 1321 C ASP A 84 3.804 -10.496 5.041 1.00 0.00 C ATOM 1322 O ASP A 84 4.127 -11.647 4.748 1.00 0.00 O ATOM 1323 CB ASP A 84 3.771 -8.019 4.507 1.00 0.00 C ATOM 1324 CG ASP A 84 5.032 -7.828 5.328 1.00 0.00 C ATOM 1325 OD1 ASP A 84 6.115 -7.676 4.725 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.936 -7.828 6.573 1.00 0.00 O ATOM 0 H ASP A 84 1.586 -9.098 3.677 1.00 0.00 H new ATOM 0 HA ASP A 84 4.446 -9.603 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.766 -7.303 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.902 -7.798 5.127 1.00 0.00 H new ATOM 1331 N ALA A 85 3.596 -10.110 6.299 1.00 0.00 N ATOM 1332 CA ALA A 85 3.741 -11.042 7.411 1.00 0.00 C ATOM 1333 C ALA A 85 2.787 -12.220 7.270 1.00 0.00 C ATOM 1334 O ALA A 85 3.204 -13.341 6.976 1.00 0.00 O ATOM 1335 CB ALA A 85 3.506 -10.325 8.733 1.00 0.00 C ATOM 0 H ALA A 85 3.328 -9.164 6.571 1.00 0.00 H new ATOM 0 HA ALA A 85 4.759 -11.431 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.617 -11.032 9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.233 -9.521 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.499 -9.908 8.747 1.00 0.00 H new ATOM 1341 N ARG A 86 1.505 -11.957 7.484 1.00 0.00 N ATOM 1342 CA ARG A 86 0.480 -12.993 7.383 1.00 0.00 C ATOM 1343 C ARG A 86 -0.793 -12.456 6.733 1.00 0.00 C ATOM 1344 O ARG A 86 -1.659 -13.227 6.321 1.00 0.00 O ATOM 1345 CB ARG A 86 0.159 -13.560 8.770 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.012 -14.534 8.778 1.00 0.00 C ATOM 1347 CD ARG A 86 -0.716 -15.763 9.625 1.00 0.00 C ATOM 1348 NE ARG A 86 -0.384 -15.413 11.005 1.00 0.00 N ATOM 1349 CZ ARG A 86 0.859 -15.342 11.483 1.00 0.00 C ATOM 1350 NH1 ARG A 86 1.902 -15.583 10.697 1.00 0.00 N ATOM 1351 NH2 ARG A 86 1.060 -15.025 12.755 1.00 0.00 N ATOM 0 H ARG A 86 1.147 -11.034 7.729 1.00 0.00 H new ATOM 0 HA ARG A 86 0.874 -13.789 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.043 -14.065 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.061 -12.735 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.900 -14.032 9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.237 -14.841 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.582 -16.425 9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.112 -16.317 9.183 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.153 -15.210 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.757 -15.825 9.717 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.848 -15.526 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.265 -14.836 13.365 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.010 -14.970 13.123 1.00 0.00 H new ATOM 1365 N GLN A 87 -0.906 -11.134 6.641 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.076 -10.515 6.039 1.00 0.00 C ATOM 1367 C GLN A 87 -1.754 -10.024 4.635 1.00 0.00 C ATOM 1368 O GLN A 87 -0.641 -10.204 4.142 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.581 -9.357 6.912 1.00 0.00 C ATOM 1370 CG GLN A 87 -1.755 -8.081 6.802 1.00 0.00 C ATOM 1371 CD GLN A 87 -0.411 -8.190 7.493 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -0.326 -8.606 8.649 1.00 0.00 O ATOM 1373 NE2 GLN A 87 0.649 -7.813 6.788 1.00 0.00 N ATOM 0 H GLN A 87 -0.203 -10.475 6.975 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.866 -11.263 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.612 -9.133 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.592 -9.680 7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.599 -7.844 5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.315 -7.253 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.532 -7.474 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.580 -7.862 7.201 1.00 0.00 H new ATOM 1382 N VAL A 88 -2.732 -9.398 3.997 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.546 -8.878 2.652 1.00 0.00 C ATOM 1384 C VAL A 88 -3.140 -7.482 2.532 1.00 0.00 C ATOM 1385 O VAL A 88 -4.288 -7.251 2.912 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.175 -9.799 1.587 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.473 -9.621 0.252 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.120 -11.256 2.028 1.00 0.00 C ATOM 0 H VAL A 88 -3.660 -9.238 4.389 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.472 -8.834 2.472 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.222 -9.519 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.929 -10.278 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.568 -8.585 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.418 -9.872 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.570 -11.886 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.082 -11.552 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.669 -11.374 2.962 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.346 -6.551 2.021 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.789 -5.171 1.869 1.00 0.00 C ATOM 1400 C TRP A 89 -3.189 -4.867 0.430 1.00 0.00 C ATOM 1401 O TRP A 89 -2.342 -4.573 -0.413 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.682 -4.216 2.314 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.507 -4.158 3.800 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.751 -4.996 4.569 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.097 -3.213 4.696 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.837 -4.629 5.890 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.658 -3.537 5.994 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.956 -2.123 4.528 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.050 -2.808 7.116 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.343 -1.401 5.641 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.890 -1.746 6.920 1.00 0.00 C ATOM 0 H TRP A 89 -1.392 -6.726 1.705 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.668 -5.030 2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.742 -4.524 1.857 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -1.905 -3.216 1.943 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.171 -5.826 4.194 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.366 -5.094 6.667 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.311 -1.850 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.703 -3.072 8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -4.006 -0.557 5.522 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.210 -1.162 7.770 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.489 -4.925 0.161 1.00 0.00 N ATOM 1423 CA GLY A 90 -4.986 -4.639 -1.170 1.00 0.00 C ATOM 1424 C GLY A 90 -5.055 -3.152 -1.442 1.00 0.00 C ATOM 1425 O GLY A 90 -5.074 -2.347 -0.511 1.00 0.00 O ATOM 0 H GLY A 90 -5.208 -5.166 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.339 -5.113 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.978 -5.076 -1.288 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.087 -2.778 -2.715 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.149 -1.371 -3.090 1.00 0.00 C ATOM 1431 C LEU A 91 -5.917 -1.177 -4.389 1.00 0.00 C ATOM 1432 O LEU A 91 -5.404 -1.467 -5.467 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.738 -0.796 -3.248 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.316 0.215 -2.183 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.346 1.330 -2.063 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.103 -0.477 -0.845 1.00 0.00 C ATOM 0 H LEU A 91 -5.071 -3.426 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.672 -0.844 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.026 -1.621 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.666 -0.319 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.370 0.662 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.027 2.039 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.439 1.844 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.310 0.906 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.803 0.259 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.031 -0.955 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.322 -1.231 -0.946 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.136 -0.664 -4.289 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.941 -0.416 -5.480 1.00 0.00 C ATOM 1450 C ASN A 92 -7.727 1.012 -5.962 1.00 0.00 C ATOM 1451 O ASN A 92 -8.219 1.968 -5.365 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.427 -0.650 -5.208 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.207 -0.982 -6.472 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.177 -1.738 -6.428 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.794 -0.418 -7.611 1.00 0.00 N ATOM 0 H ASN A 92 -7.586 -0.414 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.622 -1.117 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.538 -1.465 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.853 0.241 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.287 -0.609 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.985 0.204 -7.608 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.976 1.138 -7.047 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.664 2.437 -7.624 1.00 0.00 C ATOM 1464 C PHE A 93 -7.859 3.039 -8.350 1.00 0.00 C ATOM 1465 O PHE A 93 -8.808 2.339 -8.704 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.488 2.299 -8.582 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.298 1.636 -7.954 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.395 2.368 -7.198 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.092 0.276 -8.104 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.313 1.754 -6.604 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -3.008 -0.343 -7.516 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.119 0.398 -6.763 1.00 0.00 C ATOM 0 H PHE A 93 -6.569 0.349 -7.549 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.403 3.112 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.801 1.723 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.200 3.287 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.541 3.431 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.788 -0.308 -8.688 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.618 2.334 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.855 -1.404 -7.644 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.272 -0.084 -6.299 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.797 4.348 -8.569 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.871 5.041 -9.255 1.00 0.00 C ATOM 1484 C GLY A 94 -8.627 5.155 -10.747 1.00 0.00 C ATOM 1485 O GLY A 94 -9.568 5.136 -11.540 1.00 0.00 O ATOM 0 H GLY A 94 -7.019 4.943 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.809 4.513 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.985 6.039 -8.831 1.00 0.00 H new ATOM 1489 N SER A 95 -7.360 5.273 -11.128 1.00 0.00 N ATOM 1490 CA SER A 95 -6.991 5.391 -12.534 1.00 0.00 C ATOM 1491 C SER A 95 -5.762 4.542 -12.846 1.00 0.00 C ATOM 1492 O SER A 95 -4.984 4.207 -11.952 1.00 0.00 O ATOM 1493 CB SER A 95 -6.722 6.853 -12.892 1.00 0.00 C ATOM 1494 OG SER A 95 -7.833 7.428 -13.560 1.00 0.00 O ATOM 0 H SER A 95 -6.570 5.290 -10.482 1.00 0.00 H new ATOM 0 HA SER A 95 -7.824 5.026 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.506 7.419 -11.986 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.838 6.919 -13.527 1.00 0.00 H new ATOM 0 HG SER A 95 -7.636 8.363 -13.776 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.593 4.198 -14.118 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.457 3.387 -14.547 1.00 0.00 C ATOM 1502 C LYS A 96 -3.137 4.062 -14.187 1.00 0.00 C ATOM 1503 O LYS A 96 -2.127 3.393 -13.967 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.522 3.138 -16.055 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.739 4.400 -16.873 1.00 0.00 C ATOM 1506 CD LYS A 96 -4.417 4.175 -18.342 1.00 0.00 C ATOM 1507 CE LYS A 96 -2.962 3.780 -18.540 1.00 0.00 C ATOM 1508 NZ LYS A 96 -2.814 2.322 -18.808 1.00 0.00 N ATOM 0 H LYS A 96 -6.227 4.467 -14.870 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.508 2.431 -14.025 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.595 2.662 -16.376 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.330 2.437 -16.264 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.774 4.726 -16.772 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.113 5.201 -16.481 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.064 3.395 -18.742 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.628 5.084 -18.905 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.542 4.346 -19.371 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.389 4.046 -17.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.918 1.984 -18.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.607 1.807 -18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.814 2.156 -19.835 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.151 5.389 -14.127 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.953 6.152 -13.793 1.00 0.00 C ATOM 1524 C GLU A 97 -1.553 5.926 -12.339 1.00 0.00 C ATOM 1525 O GLU A 97 -0.391 5.645 -12.042 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.182 7.642 -14.048 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.845 8.075 -15.465 1.00 0.00 C ATOM 1528 CD GLU A 97 -1.445 9.535 -15.551 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -0.735 10.010 -14.639 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -1.841 10.204 -16.528 1.00 0.00 O ATOM 0 H GLU A 97 -3.978 5.959 -14.305 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.141 5.804 -14.432 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.225 7.881 -13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.579 8.219 -13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.032 7.457 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.707 7.900 -16.109 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.522 6.045 -11.435 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.265 5.846 -10.012 1.00 0.00 C ATOM 1539 C ASP A 98 -1.578 4.506 -9.773 1.00 0.00 C ATOM 1540 O ASP A 98 -0.454 4.452 -9.274 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.573 5.909 -9.221 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.332 7.199 -9.461 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.736 8.283 -9.284 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.523 7.127 -9.829 1.00 0.00 O ATOM 0 H ASP A 98 -3.489 6.277 -11.662 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.605 6.643 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.203 5.063 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.356 5.811 -8.157 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.262 3.427 -10.139 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.724 2.083 -9.976 1.00 0.00 C ATOM 1551 C ALA A 99 -0.313 1.976 -10.547 1.00 0.00 C ATOM 1552 O ALA A 99 0.507 1.200 -10.056 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.643 1.067 -10.635 1.00 0.00 C ATOM 0 H ALA A 99 -3.194 3.459 -10.552 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.667 1.869 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.231 0.066 -10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.629 1.115 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.729 1.290 -11.698 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.034 2.759 -11.584 1.00 0.00 N ATOM 1560 CA ALA A 100 1.281 2.747 -12.213 1.00 0.00 C ATOM 1561 C ALA A 100 2.309 3.469 -11.347 1.00 0.00 C ATOM 1562 O ALA A 100 3.472 3.072 -11.284 1.00 0.00 O ATOM 1563 CB ALA A 100 1.211 3.380 -13.594 1.00 0.00 C ATOM 0 H ALA A 100 -0.699 3.408 -12.005 1.00 0.00 H new ATOM 0 HA ALA A 100 1.598 1.709 -12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.200 3.364 -14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.514 2.819 -14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.869 4.411 -13.505 1.00 0.00 H new ATOM 1569 N GLN A 101 1.870 4.533 -10.681 1.00 0.00 N ATOM 1570 CA GLN A 101 2.749 5.313 -9.818 1.00 0.00 C ATOM 1571 C GLN A 101 3.043 4.568 -8.518 1.00 0.00 C ATOM 1572 O GLN A 101 4.188 4.521 -8.058 1.00 0.00 O ATOM 1573 CB GLN A 101 2.113 6.671 -9.510 1.00 0.00 C ATOM 1574 CG GLN A 101 3.087 7.690 -8.942 1.00 0.00 C ATOM 1575 CD GLN A 101 4.221 8.007 -9.897 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.202 9.027 -10.585 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.217 7.132 -9.942 1.00 0.00 N ATOM 0 H GLN A 101 0.910 4.874 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 101 3.691 5.468 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.674 7.072 -10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.298 6.527 -8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.549 8.608 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.499 7.311 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.191 6.299 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.009 7.292 -10.565 1.00 0.00 H new ATOM 1586 N PHE A 102 2.001 3.987 -7.929 1.00 0.00 N ATOM 1587 CA PHE A 102 2.138 3.245 -6.680 1.00 0.00 C ATOM 1588 C PHE A 102 3.232 2.186 -6.791 1.00 0.00 C ATOM 1589 O PHE A 102 4.121 2.111 -5.942 1.00 0.00 O ATOM 1590 CB PHE A 102 0.803 2.598 -6.302 1.00 0.00 C ATOM 1591 CG PHE A 102 0.637 2.369 -4.826 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.931 3.376 -3.922 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.180 1.149 -4.344 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.777 3.174 -2.564 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.023 0.945 -2.986 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.322 1.957 -2.095 1.00 0.00 C ATOM 0 H PHE A 102 1.051 4.016 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 102 2.425 3.945 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.010 3.232 -6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.712 1.644 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.285 4.330 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.054 0.354 -5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.012 3.967 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.334 -0.007 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.200 1.797 -1.034 1.00 0.00 H new ATOM 1606 N ALA A 103 3.171 1.378 -7.846 1.00 0.00 N ATOM 1607 CA ALA A 103 4.169 0.337 -8.064 1.00 0.00 C ATOM 1608 C ALA A 103 5.544 0.949 -8.290 1.00 0.00 C ATOM 1609 O ALA A 103 6.564 0.366 -7.922 1.00 0.00 O ATOM 1610 CB ALA A 103 3.785 -0.527 -9.253 1.00 0.00 C ATOM 0 H ALA A 103 2.444 1.424 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 103 4.207 -0.288 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.541 -1.298 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.819 -0.996 -9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.719 0.093 -10.147 1.00 0.00 H new ATOM 1616 N ALA A 104 5.560 2.132 -8.899 1.00 0.00 N ATOM 1617 CA ALA A 104 6.807 2.836 -9.180 1.00 0.00 C ATOM 1618 C ALA A 104 7.724 2.834 -7.963 1.00 0.00 C ATOM 1619 O ALA A 104 8.797 2.227 -7.976 1.00 0.00 O ATOM 1620 CB ALA A 104 6.516 4.265 -9.612 1.00 0.00 C ATOM 0 H ALA A 104 4.721 2.624 -9.208 1.00 0.00 H new ATOM 0 HA ALA A 104 7.316 2.314 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.454 4.781 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.901 4.255 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.984 4.785 -8.815 1.00 0.00 H new ATOM 1626 N GLY A 105 7.287 3.509 -6.909 1.00 0.00 N ATOM 1627 CA GLY A 105 8.076 3.567 -5.694 1.00 0.00 C ATOM 1628 C GLY A 105 8.171 2.221 -5.020 1.00 0.00 C ATOM 1629 O GLY A 105 9.250 1.797 -4.605 1.00 0.00 O ATOM 0 H GLY A 105 6.403 4.016 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.078 3.927 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.631 4.287 -5.007 1.00 0.00 H new ATOM 1633 N MET A 106 7.035 1.543 -4.915 1.00 0.00 N ATOM 1634 CA MET A 106 6.986 0.231 -4.291 1.00 0.00 C ATOM 1635 C MET A 106 8.069 -0.668 -4.863 1.00 0.00 C ATOM 1636 O MET A 106 8.941 -1.145 -4.140 1.00 0.00 O ATOM 1637 CB MET A 106 5.621 -0.410 -4.506 1.00 0.00 C ATOM 1638 CG MET A 106 5.536 -1.808 -3.937 1.00 0.00 C ATOM 1639 SD MET A 106 5.367 -1.807 -2.146 1.00 0.00 S ATOM 1640 CE MET A 106 5.610 -3.544 -1.819 1.00 0.00 C ATOM 0 H MET A 106 6.135 1.882 -5.255 1.00 0.00 H new ATOM 0 HA MET A 106 7.155 0.355 -3.221 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.855 0.213 -4.044 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.404 -0.443 -5.574 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.686 -2.327 -4.380 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.430 -2.366 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.738 -3.942 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.746 -4.076 -2.761 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.495 -3.677 -1.196 1.00 0.00 H new ATOM 1650 N ALA A 107 8.008 -0.886 -6.171 1.00 0.00 N ATOM 1651 CA ALA A 107 8.991 -1.716 -6.855 1.00 0.00 C ATOM 1652 C ALA A 107 10.394 -1.343 -6.394 1.00 0.00 C ATOM 1653 O ALA A 107 11.245 -2.208 -6.192 1.00 0.00 O ATOM 1654 CB ALA A 107 8.863 -1.559 -8.362 1.00 0.00 C ATOM 0 H ALA A 107 7.287 -0.499 -6.780 1.00 0.00 H new ATOM 0 HA ALA A 107 8.806 -2.761 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.605 -2.186 -8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.864 -1.862 -8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.029 -0.517 -8.635 1.00 0.00 H new ATOM 1660 N SER A 108 10.611 -0.043 -6.204 1.00 0.00 N ATOM 1661 CA SER A 108 11.897 0.454 -5.738 1.00 0.00 C ATOM 1662 C SER A 108 12.183 -0.077 -4.338 1.00 0.00 C ATOM 1663 O SER A 108 13.325 -0.393 -4.002 1.00 0.00 O ATOM 1664 CB SER A 108 11.908 1.984 -5.733 1.00 0.00 C ATOM 1665 OG SER A 108 13.229 2.484 -5.839 1.00 0.00 O ATOM 0 H SER A 108 9.912 0.682 -6.366 1.00 0.00 H new ATOM 0 HA SER A 108 12.675 0.104 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.307 2.358 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.449 2.351 -4.815 1.00 0.00 H new ATOM 0 HG SER A 108 13.209 3.464 -5.835 1.00 0.00 H new ATOM 1671 N ALA A 109 11.130 -0.188 -3.530 1.00 0.00 N ATOM 1672 CA ALA A 109 11.264 -0.702 -2.171 1.00 0.00 C ATOM 1673 C ALA A 109 11.665 -2.169 -2.199 1.00 0.00 C ATOM 1674 O ALA A 109 12.497 -2.617 -1.409 1.00 0.00 O ATOM 1675 CB ALA A 109 9.959 -0.527 -1.400 1.00 0.00 C ATOM 0 H ALA A 109 10.179 0.070 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 109 12.044 -0.134 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.079 -0.916 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.703 0.532 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.162 -1.071 -1.906 1.00 0.00 H new ATOM 1681 N LEU A 110 11.061 -2.907 -3.120 1.00 0.00 N ATOM 1682 CA LEU A 110 11.332 -4.333 -3.278 1.00 0.00 C ATOM 1683 C LEU A 110 12.669 -4.563 -3.982 1.00 0.00 C ATOM 1684 O LEU A 110 13.308 -5.600 -3.799 1.00 0.00 O ATOM 1685 CB LEU A 110 10.200 -5.011 -4.066 1.00 0.00 C ATOM 1686 CG LEU A 110 8.864 -4.256 -4.087 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.805 -5.054 -4.828 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.401 -3.946 -2.671 1.00 0.00 C ATOM 0 H LEU A 110 10.373 -2.539 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 110 11.386 -4.776 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.532 -5.154 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.031 -6.002 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 110 9.015 -3.315 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.867 -4.499 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.129 -5.223 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.658 -6.013 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.452 -3.411 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.271 -4.877 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.147 -3.328 -2.171 1.00 0.00 H new ATOM 1700 N GLU A 111 13.083 -3.592 -4.791 1.00 0.00 N ATOM 1701 CA GLU A 111 14.341 -3.687 -5.528 1.00 0.00 C ATOM 1702 C GLU A 111 15.532 -3.339 -4.646 1.00 0.00 C ATOM 1703 O GLU A 111 16.659 -3.759 -4.908 1.00 0.00 O ATOM 1704 CB GLU A 111 14.310 -2.754 -6.732 1.00 0.00 C ATOM 1705 CG GLU A 111 14.559 -3.472 -8.037 1.00 0.00 C ATOM 1706 CD GLU A 111 14.232 -2.622 -9.250 1.00 0.00 C ATOM 1707 OE1 GLU A 111 14.664 -1.450 -9.286 1.00 0.00 O ATOM 1708 OE2 GLU A 111 13.546 -3.127 -10.162 1.00 0.00 O ATOM 0 H GLU A 111 12.565 -2.728 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 111 14.454 -4.718 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.341 -2.257 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.062 -1.976 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.604 -3.777 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.960 -4.382 -8.065 1.00 0.00 H new ATOM 1715 N ALA A 112 15.265 -2.590 -3.593 1.00 0.00 N ATOM 1716 CA ALA A 112 16.300 -2.195 -2.650 1.00 0.00 C ATOM 1717 C ALA A 112 16.188 -3.042 -1.399 1.00 0.00 C ATOM 1718 O ALA A 112 17.008 -2.952 -0.485 1.00 0.00 O ATOM 1719 CB ALA A 112 16.179 -0.718 -2.306 1.00 0.00 C ATOM 0 H ALA A 112 14.334 -2.240 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 112 17.277 -2.353 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.962 -0.444 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.284 -0.123 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.204 -0.527 -1.858 1.00 0.00 H new ATOM 1725 N LEU A 113 15.153 -3.870 -1.378 1.00 0.00 N ATOM 1726 CA LEU A 113 14.890 -4.749 -0.267 1.00 0.00 C ATOM 1727 C LEU A 113 15.632 -6.069 -0.451 1.00 0.00 C ATOM 1728 O LEU A 113 16.124 -6.661 0.510 1.00 0.00 O ATOM 1729 CB LEU A 113 13.385 -4.979 -0.176 1.00 0.00 C ATOM 1730 CG LEU A 113 12.672 -4.208 0.936 1.00 0.00 C ATOM 1731 CD1 LEU A 113 11.213 -4.626 1.026 1.00 0.00 C ATOM 1732 CD2 LEU A 113 13.377 -4.414 2.268 1.00 0.00 C ATOM 0 H LEU A 113 14.475 -3.945 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 113 15.244 -4.297 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.934 -4.707 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.205 -6.044 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 113 12.707 -3.146 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.723 -4.067 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.716 -4.419 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.153 -5.693 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.855 -3.857 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.378 -5.475 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.404 -4.058 2.195 1.00 0.00 H new ATOM 1744 N GLU A 114 15.714 -6.519 -1.700 1.00 0.00 N ATOM 1745 CA GLU A 114 16.401 -7.764 -2.025 1.00 0.00 C ATOM 1746 C GLU A 114 17.755 -7.482 -2.667 1.00 0.00 C ATOM 1747 O GLU A 114 18.705 -8.247 -2.499 1.00 0.00 O ATOM 1748 CB GLU A 114 15.546 -8.615 -2.967 1.00 0.00 C ATOM 1749 CG GLU A 114 14.088 -8.714 -2.549 1.00 0.00 C ATOM 1750 CD GLU A 114 13.152 -8.868 -3.732 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.509 -9.601 -4.679 1.00 0.00 O ATOM 1752 OE2 GLU A 114 12.064 -8.255 -3.713 1.00 0.00 O ATOM 0 H GLU A 114 15.312 -6.038 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 114 16.562 -8.314 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.599 -8.194 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.968 -9.618 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.963 -9.564 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.813 -7.821 -1.987 1.00 0.00 H new ATOM 1759 N GLY A 115 17.837 -6.378 -3.406 1.00 0.00 N ATOM 1760 CA GLY A 115 19.080 -6.015 -4.062 1.00 0.00 C ATOM 1761 C GLY A 115 20.176 -5.664 -3.076 1.00 0.00 C ATOM 1762 O GLY A 115 20.356 -6.416 -2.095 1.00 0.00 O ATOM 1763 OXT GLY A 115 20.855 -4.636 -3.285 1.00 0.00 O ATOM 0 H GLY A 115 17.065 -5.730 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.411 -6.843 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.904 -5.166 -4.722 1.00 0.00 H new