USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 63 THR OG1 : rot 180:sc= 0.988 USER MOD Set 1.2: A 75 SER OG : rot 97:sc= 1.32 USER MOD Set 2.1: A 29 THR OG1 : rot 77:sc= -3.26! USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -1.42 USER MOD Set 2.3: A 34 MET CE :methyl -127:sc= -1.94! (180deg=-1.42!) USER MOD Single : A 1 LEU N :NH3+ -170:sc= -1.09 (180deg=-1.41) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc=-0.00212 (180deg=-0.283) USER MOD Single : A 3 THR OG1 : rot -43:sc= 0.0598 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 47:sc= -0.82 USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= -0.216 (180deg=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -0.0532 (180deg=-0.423) USER MOD Single : A 15 MET CE :methyl 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= -0.206 (180deg=-1.16!) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.863 (180deg=-1.43) USER MOD Single : A 19 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.00101) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.387) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.845 F(o=-3.1!,f=-0.85) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.524 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.91! C(o=-5.9!,f=-10!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -58:sc= 0.931 USER MOD Single : A 77 GLN : amide:sc= -0.79 K(o=-0.79,f=-2!) USER MOD Single : A 78 THR OG1 : rot 27:sc= -0.889 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -2.38 F(o=-5.5!,f=-2.4) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= -0.249 (180deg=-1.23!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ -152:sc= 0.123 (180deg=0.00132) USER MOD Single : B 1 SER OG : rot 180:sc= 0.307 USER MOD Single : B 5 SER OG : rot -134:sc= -1.27 USER MOD Single : B 8 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 87.215 14.828 -11.660 1.00 0.00 N ATOM 2 CA LEU A 1 87.978 13.556 -11.513 1.00 0.00 C ATOM 3 C LEU A 1 87.999 13.143 -10.043 1.00 0.00 C ATOM 4 O LEU A 1 88.986 12.644 -9.540 1.00 0.00 O ATOM 5 CB LEU A 1 89.413 13.757 -12.014 1.00 0.00 C ATOM 6 CG LEU A 1 89.401 14.545 -13.326 1.00 0.00 C ATOM 7 CD1 LEU A 1 90.833 14.699 -13.839 1.00 0.00 C ATOM 8 CD2 LEU A 1 88.567 13.796 -14.369 1.00 0.00 C ATOM 0 H1 LEU A 1 87.054 15.022 -12.669 1.00 0.00 H new ATOM 0 H2 LEU A 1 86.300 14.742 -11.174 1.00 0.00 H new ATOM 0 H3 LEU A 1 87.758 15.609 -11.240 1.00 0.00 H new ATOM 0 HA LEU A 1 87.498 12.774 -12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 1 89.998 14.290 -11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 1 89.894 12.790 -12.165 1.00 0.00 H new ATOM 0 HG LEU A 1 88.966 15.529 -13.152 1.00 0.00 H new ATOM 0 HD11 LEU A 1 90.826 15.260 -14.774 1.00 0.00 H new ATOM 0 HD12 LEU A 1 91.429 15.233 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 1 91.266 13.714 -14.011 1.00 0.00 H new ATOM 0 HD21 LEU A 1 88.560 14.359 -15.302 1.00 0.00 H new ATOM 0 HD22 LEU A 1 89.001 12.811 -14.543 1.00 0.00 H new ATOM 0 HD23 LEU A 1 87.546 13.684 -14.006 1.00 0.00 H new ATOM 22 N LYS A 2 86.914 13.346 -9.352 1.00 0.00 N ATOM 23 CA LYS A 2 86.863 12.966 -7.919 1.00 0.00 C ATOM 24 C LYS A 2 86.917 11.442 -7.799 1.00 0.00 C ATOM 25 O LYS A 2 86.875 10.893 -6.717 1.00 0.00 O ATOM 26 CB LYS A 2 85.562 13.484 -7.303 1.00 0.00 C ATOM 27 CG LYS A 2 85.675 14.988 -7.046 1.00 0.00 C ATOM 28 CD LYS A 2 86.093 15.711 -8.330 1.00 0.00 C ATOM 29 CE LYS A 2 85.803 17.207 -8.194 1.00 0.00 C ATOM 30 NZ LYS A 2 86.507 17.742 -6.994 1.00 0.00 N ATOM 0 H LYS A 2 86.058 13.760 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 2 87.711 13.402 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 2 84.726 13.282 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 2 85.357 12.960 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 2 84.720 15.378 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 2 86.405 15.177 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 2 87.154 15.552 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 2 85.552 15.301 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 2 86.133 17.735 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 2 84.730 17.374 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 86.511 18.781 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 86.016 17.426 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 87.486 17.392 -6.981 1.00 0.00 H new ATOM 44 N THR A 3 87.009 10.755 -8.906 1.00 0.00 N ATOM 45 CA THR A 3 87.063 9.266 -8.854 1.00 0.00 C ATOM 46 C THR A 3 87.501 8.718 -10.213 1.00 0.00 C ATOM 47 O THR A 3 86.823 7.910 -10.816 1.00 0.00 O ATOM 48 CB THR A 3 85.677 8.717 -8.507 1.00 0.00 C ATOM 49 OG1 THR A 3 85.127 9.468 -7.434 1.00 0.00 O ATOM 50 CG2 THR A 3 85.793 7.248 -8.098 1.00 0.00 C ATOM 0 H THR A 3 87.049 11.159 -9.842 1.00 0.00 H new ATOM 0 HA THR A 3 87.779 8.958 -8.092 1.00 0.00 H new ATOM 0 HB THR A 3 85.027 8.797 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 3 85.816 9.619 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 3 84.805 6.860 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 3 86.213 6.673 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 3 86.444 7.163 -7.228 1.00 0.00 H new ATOM 58 N TYR A 4 88.635 9.151 -10.697 1.00 0.00 N ATOM 59 CA TYR A 4 89.136 8.663 -12.020 1.00 0.00 C ATOM 60 C TYR A 4 90.241 7.629 -11.793 1.00 0.00 C ATOM 61 O TYR A 4 91.176 7.859 -11.051 1.00 0.00 O ATOM 62 CB TYR A 4 89.697 9.848 -12.810 1.00 0.00 C ATOM 63 CG TYR A 4 89.843 9.465 -14.265 1.00 0.00 C ATOM 64 CD1 TYR A 4 90.892 8.632 -14.668 1.00 0.00 C ATOM 65 CD2 TYR A 4 88.928 9.945 -15.207 1.00 0.00 C ATOM 66 CE1 TYR A 4 91.026 8.279 -16.017 1.00 0.00 C ATOM 67 CE2 TYR A 4 89.061 9.594 -16.555 1.00 0.00 C ATOM 68 CZ TYR A 4 90.111 8.761 -16.961 1.00 0.00 C ATOM 69 OH TYR A 4 90.243 8.415 -18.290 1.00 0.00 O ATOM 0 H TYR A 4 89.241 9.826 -10.231 1.00 0.00 H new ATOM 0 HA TYR A 4 88.320 8.204 -12.579 1.00 0.00 H new ATOM 0 HB2 TYR A 4 89.034 10.708 -12.715 1.00 0.00 H new ATOM 0 HB3 TYR A 4 90.664 10.144 -12.403 1.00 0.00 H new ATOM 0 HD1 TYR A 4 91.598 8.261 -13.940 1.00 0.00 H new ATOM 0 HD2 TYR A 4 88.118 10.587 -14.894 1.00 0.00 H new ATOM 0 HE1 TYR A 4 91.835 7.635 -16.329 1.00 0.00 H new ATOM 0 HE2 TYR A 4 88.354 9.965 -17.282 1.00 0.00 H new ATOM 0 HH TYR A 4 89.525 8.833 -18.810 1.00 0.00 H new ATOM 79 N GLY A 5 90.141 6.490 -12.425 1.00 0.00 N ATOM 80 CA GLY A 5 91.186 5.441 -12.246 1.00 0.00 C ATOM 81 C GLY A 5 90.921 4.668 -10.953 1.00 0.00 C ATOM 82 O GLY A 5 91.541 3.660 -10.682 1.00 0.00 O ATOM 0 H GLY A 5 89.381 6.241 -13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 5 91.181 4.759 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 5 92.174 5.900 -12.211 1.00 0.00 H new ATOM 86 N VAL A 6 90.001 5.134 -10.153 1.00 0.00 N ATOM 87 CA VAL A 6 89.688 4.432 -8.874 1.00 0.00 C ATOM 88 C VAL A 6 88.627 3.359 -9.132 1.00 0.00 C ATOM 89 O VAL A 6 87.689 3.568 -9.875 1.00 0.00 O ATOM 90 CB VAL A 6 89.153 5.443 -7.859 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.117 4.803 -6.473 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.068 6.670 -7.827 1.00 0.00 C ATOM 0 H VAL A 6 89.450 5.974 -10.330 1.00 0.00 H new ATOM 0 HA VAL A 6 90.591 3.965 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 6 88.147 5.747 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.736 5.523 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.466 3.929 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.124 4.499 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.686 7.390 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.074 6.366 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.096 7.129 -8.815 1.00 0.00 H new ATOM 102 N SER A 7 88.769 2.207 -8.528 1.00 0.00 N ATOM 103 CA SER A 7 87.770 1.119 -8.743 1.00 0.00 C ATOM 104 C SER A 7 86.613 1.276 -7.756 1.00 0.00 C ATOM 105 O SER A 7 86.720 0.943 -6.594 1.00 0.00 O ATOM 106 CB SER A 7 88.443 -0.234 -8.535 1.00 0.00 C ATOM 107 OG SER A 7 89.302 -0.164 -7.405 1.00 0.00 O ATOM 0 H SER A 7 89.534 1.973 -7.895 1.00 0.00 H new ATOM 0 HA SER A 7 87.382 1.180 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 7 87.690 -1.008 -8.386 1.00 0.00 H new ATOM 0 HB3 SER A 7 89.013 -0.510 -9.422 1.00 0.00 H new ATOM 0 HG SER A 7 88.829 0.263 -6.660 1.00 0.00 H new ATOM 113 N PHE A 8 85.509 1.776 -8.227 1.00 0.00 N ATOM 114 CA PHE A 8 84.317 1.974 -7.349 1.00 0.00 C ATOM 115 C PHE A 8 83.489 0.683 -7.293 1.00 0.00 C ATOM 116 O PHE A 8 83.103 0.142 -8.311 1.00 0.00 O ATOM 117 CB PHE A 8 83.462 3.097 -7.935 1.00 0.00 C ATOM 118 CG PHE A 8 83.305 2.887 -9.421 1.00 0.00 C ATOM 119 CD1 PHE A 8 82.250 2.108 -9.911 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.215 3.471 -10.310 1.00 0.00 C ATOM 121 CE1 PHE A 8 82.104 1.914 -11.290 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.070 3.277 -11.689 1.00 0.00 C ATOM 123 CZ PHE A 8 83.015 2.499 -12.179 1.00 0.00 C ATOM 0 H PHE A 8 85.376 2.061 -9.197 1.00 0.00 H new ATOM 0 HA PHE A 8 84.642 2.232 -6.341 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.484 3.113 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.928 4.063 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 8 81.548 1.657 -9.225 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.029 4.071 -9.932 1.00 0.00 H new ATOM 0 HE1 PHE A 8 81.290 1.314 -11.668 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.772 3.728 -12.375 1.00 0.00 H new ATOM 0 HZ PHE A 8 82.903 2.350 -13.243 1.00 0.00 H new ATOM 133 N PHE A 9 83.205 0.193 -6.109 1.00 0.00 N ATOM 134 CA PHE A 9 82.391 -1.060 -5.968 1.00 0.00 C ATOM 135 C PHE A 9 81.002 -0.695 -5.429 1.00 0.00 C ATOM 136 O PHE A 9 80.878 -0.019 -4.428 1.00 0.00 O ATOM 137 CB PHE A 9 83.079 -2.007 -4.971 1.00 0.00 C ATOM 138 CG PHE A 9 84.197 -2.764 -5.649 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.453 -2.168 -5.804 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.979 -4.068 -6.113 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.491 -2.874 -6.422 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.017 -4.774 -6.733 1.00 0.00 C ATOM 143 CZ PHE A 9 86.273 -4.177 -6.887 1.00 0.00 C ATOM 0 H PHE A 9 83.504 0.610 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 9 82.301 -1.549 -6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.475 -1.436 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.351 -2.709 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.622 -1.163 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.010 -4.529 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.461 -2.414 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.848 -5.779 -7.092 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.075 -4.721 -7.365 1.00 0.00 H new ATOM 153 N LEU A 10 79.956 -1.145 -6.071 1.00 0.00 N ATOM 154 CA LEU A 10 78.590 -0.822 -5.568 1.00 0.00 C ATOM 155 C LEU A 10 78.271 -1.722 -4.383 1.00 0.00 C ATOM 156 O LEU A 10 78.168 -2.926 -4.507 1.00 0.00 O ATOM 157 CB LEU A 10 77.548 -1.035 -6.678 1.00 0.00 C ATOM 158 CG LEU A 10 76.096 -0.916 -6.106 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.245 -0.007 -7.002 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.433 -2.302 -6.046 1.00 0.00 C ATOM 0 H LEU A 10 79.988 -1.717 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 10 78.558 0.223 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.695 -0.298 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.687 -2.017 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 10 76.160 -0.492 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.237 0.067 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.694 0.986 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.198 -0.427 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.424 -2.205 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.387 -2.727 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.018 -2.957 -5.400 1.00 0.00 H new ATOM 172 N VAL A 11 78.110 -1.130 -3.234 1.00 0.00 N ATOM 173 CA VAL A 11 77.782 -1.906 -2.007 1.00 0.00 C ATOM 174 C VAL A 11 76.534 -1.291 -1.388 1.00 0.00 C ATOM 175 O VAL A 11 76.273 -0.116 -1.557 1.00 0.00 O ATOM 176 CB VAL A 11 78.954 -1.821 -1.025 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.251 -2.244 -1.732 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.099 -0.382 -0.517 1.00 0.00 C ATOM 0 H VAL A 11 78.193 -0.124 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 11 77.604 -2.955 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 11 78.764 -2.486 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.084 -2.183 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.153 -3.269 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.438 -1.581 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.934 -0.325 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.285 0.284 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.182 -0.080 -0.011 1.00 0.00 H new ATOM 188 N LYS A 12 75.756 -2.067 -0.680 1.00 0.00 N ATOM 189 CA LYS A 12 74.512 -1.519 -0.056 1.00 0.00 C ATOM 190 C LYS A 12 74.721 -1.409 1.449 1.00 0.00 C ATOM 191 O LYS A 12 75.373 -2.232 2.061 1.00 0.00 O ATOM 192 CB LYS A 12 73.323 -2.456 -0.368 1.00 0.00 C ATOM 193 CG LYS A 12 72.487 -1.882 -1.522 1.00 0.00 C ATOM 194 CD LYS A 12 71.457 -2.916 -1.975 1.00 0.00 C ATOM 195 CE LYS A 12 70.820 -2.460 -3.289 1.00 0.00 C ATOM 196 NZ LYS A 12 71.873 -2.343 -4.337 1.00 0.00 N ATOM 0 H LYS A 12 75.927 -3.057 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 12 74.293 -0.531 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.691 -3.447 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.700 -2.574 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.984 -0.970 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.136 -1.612 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 12 71.935 -3.887 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.690 -3.040 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.057 -3.173 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.322 -1.501 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.454 -2.522 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.278 -1.385 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.623 -3.040 -4.155 1.00 0.00 H new ATOM 210 N GLU A 13 74.165 -0.387 2.039 1.00 0.00 N ATOM 211 CA GLU A 13 74.305 -0.180 3.510 1.00 0.00 C ATOM 212 C GLU A 13 72.925 -0.266 4.153 1.00 0.00 C ATOM 213 O GLU A 13 71.915 -0.124 3.493 1.00 0.00 O ATOM 214 CB GLU A 13 74.895 1.204 3.774 1.00 0.00 C ATOM 215 CG GLU A 13 76.187 1.367 2.973 1.00 0.00 C ATOM 216 CD GLU A 13 76.906 2.643 3.414 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.369 3.339 4.260 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.981 2.902 2.899 1.00 0.00 O ATOM 0 H GLU A 13 73.612 0.323 1.559 1.00 0.00 H new ATOM 0 HA GLU A 13 74.962 -0.942 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.179 1.976 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.096 1.329 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.833 0.502 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.963 1.414 1.907 1.00 0.00 H new ATOM 225 N LYS A 14 72.876 -0.496 5.437 1.00 0.00 N ATOM 226 CA LYS A 14 71.565 -0.594 6.147 1.00 0.00 C ATOM 227 C LYS A 14 71.358 0.667 6.984 1.00 0.00 C ATOM 228 O LYS A 14 72.067 0.925 7.936 1.00 0.00 O ATOM 229 CB LYS A 14 71.572 -1.832 7.061 1.00 0.00 C ATOM 230 CG LYS A 14 71.168 -3.079 6.261 1.00 0.00 C ATOM 231 CD LYS A 14 72.000 -3.168 4.975 1.00 0.00 C ATOM 232 CE LYS A 14 71.964 -4.599 4.436 1.00 0.00 C ATOM 233 NZ LYS A 14 72.793 -5.480 5.306 1.00 0.00 N ATOM 0 H LYS A 14 73.695 -0.622 6.031 1.00 0.00 H new ATOM 0 HA LYS A 14 70.755 -0.688 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.564 -1.971 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.883 -1.684 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.319 -3.974 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.107 -3.036 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.608 -2.478 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 14 73.029 -2.870 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.937 -4.962 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.340 -4.623 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.092 -6.318 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.632 -4.958 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 72.234 -5.780 6.130 1.00 0.00 H new ATOM 247 N MET A 15 70.388 1.448 6.625 1.00 0.00 N ATOM 248 CA MET A 15 70.108 2.700 7.373 1.00 0.00 C ATOM 249 C MET A 15 69.543 2.352 8.759 1.00 0.00 C ATOM 250 O MET A 15 68.950 1.310 8.943 1.00 0.00 O ATOM 251 CB MET A 15 69.102 3.529 6.569 1.00 0.00 C ATOM 252 CG MET A 15 69.833 4.315 5.477 1.00 0.00 C ATOM 253 SD MET A 15 70.622 5.770 6.210 1.00 0.00 S ATOM 254 CE MET A 15 69.240 6.916 5.985 1.00 0.00 C ATOM 0 H MET A 15 69.767 1.272 5.835 1.00 0.00 H new ATOM 0 HA MET A 15 71.022 3.278 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.354 2.875 6.120 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.571 4.214 7.230 1.00 0.00 H new ATOM 0 HG2 MET A 15 70.582 3.684 4.999 1.00 0.00 H new ATOM 0 HG3 MET A 15 69.131 4.620 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 15 69.479 7.871 6.454 1.00 0.00 H new ATOM 0 HE2 MET A 15 69.064 7.069 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 15 68.344 6.500 6.445 1.00 0.00 H new ATOM 264 N LYS A 16 69.770 3.226 9.725 1.00 0.00 N ATOM 265 CA LYS A 16 69.318 3.021 11.155 1.00 0.00 C ATOM 266 C LYS A 16 68.534 1.717 11.346 1.00 0.00 C ATOM 267 O LYS A 16 69.022 0.769 11.930 1.00 0.00 O ATOM 268 CB LYS A 16 68.454 4.215 11.613 1.00 0.00 C ATOM 269 CG LYS A 16 68.834 5.485 10.822 1.00 0.00 C ATOM 270 CD LYS A 16 67.996 5.580 9.521 1.00 0.00 C ATOM 271 CE LYS A 16 66.779 6.491 9.733 1.00 0.00 C ATOM 272 NZ LYS A 16 67.237 7.865 10.089 1.00 0.00 N ATOM 0 H LYS A 16 70.267 4.104 9.576 1.00 0.00 H new ATOM 0 HA LYS A 16 70.219 2.953 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 67.399 3.987 11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.595 4.387 12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.665 6.369 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.896 5.465 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.613 5.969 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.666 4.586 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.173 6.522 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.147 6.091 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.588 8.565 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.247 7.970 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 68.195 8.019 9.716 1.00 0.00 H new ATOM 286 N GLY A 17 67.321 1.669 10.868 1.00 0.00 N ATOM 287 CA GLY A 17 66.496 0.435 11.029 1.00 0.00 C ATOM 288 C GLY A 17 65.648 0.211 9.781 1.00 0.00 C ATOM 289 O GLY A 17 64.966 -0.788 9.661 1.00 0.00 O ATOM 0 H GLY A 17 66.863 2.433 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 17 67.143 -0.426 11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 17 65.853 0.528 11.904 1.00 0.00 H new ATOM 293 N LYS A 18 65.675 1.123 8.846 1.00 0.00 N ATOM 294 CA LYS A 18 64.851 0.923 7.614 1.00 0.00 C ATOM 295 C LYS A 18 65.121 -0.472 7.059 1.00 0.00 C ATOM 296 O LYS A 18 66.246 -0.824 6.762 1.00 0.00 O ATOM 297 CB LYS A 18 65.188 1.983 6.528 1.00 0.00 C ATOM 298 CG LYS A 18 65.807 3.231 7.164 1.00 0.00 C ATOM 299 CD LYS A 18 64.803 3.920 8.123 1.00 0.00 C ATOM 300 CE LYS A 18 64.033 5.024 7.386 1.00 0.00 C ATOM 301 NZ LYS A 18 63.250 4.427 6.268 1.00 0.00 N ATOM 0 H LYS A 18 66.221 1.984 8.878 1.00 0.00 H new ATOM 0 HA LYS A 18 63.800 1.033 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 18 65.880 1.558 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 18 64.283 2.256 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.708 2.956 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.109 3.930 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 64.105 3.183 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 18 65.336 4.345 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 18 63.365 5.539 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 18 64.728 5.770 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 62.555 5.119 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 63.894 4.167 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 62.754 3.578 6.606 1.00 0.00 H new ATOM 315 N ASN A 19 64.099 -1.257 6.878 1.00 0.00 N ATOM 316 CA ASN A 19 64.315 -2.604 6.298 1.00 0.00 C ATOM 317 C ASN A 19 64.911 -2.393 4.914 1.00 0.00 C ATOM 318 O ASN A 19 65.306 -3.316 4.230 1.00 0.00 O ATOM 319 CB ASN A 19 62.976 -3.330 6.188 1.00 0.00 C ATOM 320 CG ASN A 19 63.216 -4.825 5.976 1.00 0.00 C ATOM 321 OD1 ASN A 19 64.311 -5.311 6.177 1.00 0.00 O ATOM 322 ND2 ASN A 19 62.230 -5.581 5.574 1.00 0.00 N ATOM 0 H ASN A 19 63.132 -1.025 7.105 1.00 0.00 H new ATOM 0 HA ASN A 19 64.979 -3.206 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 19 62.390 -3.171 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 19 62.398 -2.923 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.379 -6.580 5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 19 61.311 -5.173 5.405 1.00 0.00 H new ATOM 329 N LYS A 20 64.961 -1.156 4.510 1.00 0.00 N ATOM 330 CA LYS A 20 65.511 -0.805 3.181 1.00 0.00 C ATOM 331 C LYS A 20 67.037 -0.919 3.202 1.00 0.00 C ATOM 332 O LYS A 20 67.639 -1.341 4.170 1.00 0.00 O ATOM 333 CB LYS A 20 65.090 0.643 2.843 1.00 0.00 C ATOM 334 CG LYS A 20 64.559 0.734 1.403 1.00 0.00 C ATOM 335 CD LYS A 20 63.099 0.240 1.343 1.00 0.00 C ATOM 336 CE LYS A 20 62.137 1.393 1.657 1.00 0.00 C ATOM 337 NZ LYS A 20 60.732 0.917 1.508 1.00 0.00 N ATOM 0 H LYS A 20 64.636 -0.360 5.059 1.00 0.00 H new ATOM 0 HA LYS A 20 65.125 -1.488 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.321 0.976 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.942 1.312 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.617 1.764 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 20 65.181 0.134 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.884 -0.163 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.952 -0.571 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 20 62.305 1.756 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 20 62.323 2.230 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 60.077 1.696 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 60.578 0.591 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 60.560 0.131 2.167 1.00 0.00 H new ATOM 351 N LEU A 21 67.652 -0.523 2.128 1.00 0.00 N ATOM 352 CA LEU A 21 69.140 -0.563 2.014 1.00 0.00 C ATOM 353 C LEU A 21 69.577 0.708 1.294 1.00 0.00 C ATOM 354 O LEU A 21 68.792 1.325 0.601 1.00 0.00 O ATOM 355 CB LEU A 21 69.600 -1.790 1.197 1.00 0.00 C ATOM 356 CG LEU A 21 68.790 -3.051 1.590 1.00 0.00 C ATOM 357 CD1 LEU A 21 67.568 -3.202 0.675 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.657 -4.309 1.447 1.00 0.00 C ATOM 0 H LEU A 21 67.176 -0.163 1.300 1.00 0.00 H new ATOM 0 HA LEU A 21 69.583 -0.634 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.476 -1.590 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.662 -1.968 1.367 1.00 0.00 H new ATOM 0 HG LEU A 21 68.470 -2.936 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.007 -4.092 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 21 66.930 -2.324 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 67.898 -3.298 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.074 -5.186 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.988 -4.407 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.526 -4.228 2.100 1.00 0.00 H new ATOM 370 N VAL A 22 70.813 1.112 1.446 1.00 0.00 N ATOM 371 CA VAL A 22 71.286 2.359 0.758 1.00 0.00 C ATOM 372 C VAL A 22 72.502 2.017 -0.143 1.00 0.00 C ATOM 373 O VAL A 22 73.556 1.713 0.378 1.00 0.00 O ATOM 374 CB VAL A 22 71.707 3.372 1.850 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.717 4.387 1.296 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.470 4.127 2.356 1.00 0.00 C ATOM 0 H VAL A 22 71.515 0.637 2.014 1.00 0.00 H new ATOM 0 HA VAL A 22 70.497 2.782 0.136 1.00 0.00 H new ATOM 0 HB VAL A 22 72.172 2.820 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.997 5.088 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.605 3.862 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.267 4.933 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.768 4.840 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 70.005 4.661 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.757 3.417 2.776 1.00 0.00 H new ATOM 386 N PRO A 23 72.358 2.106 -1.464 1.00 0.00 N ATOM 387 CA PRO A 23 73.492 1.837 -2.369 1.00 0.00 C ATOM 388 C PRO A 23 74.653 2.788 -2.051 1.00 0.00 C ATOM 389 O PRO A 23 74.456 3.905 -1.617 1.00 0.00 O ATOM 390 CB PRO A 23 72.934 2.094 -3.786 1.00 0.00 C ATOM 391 CG PRO A 23 71.396 2.192 -3.655 1.00 0.00 C ATOM 392 CD PRO A 23 71.091 2.435 -2.163 1.00 0.00 C ATOM 0 HA PRO A 23 73.882 0.824 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.345 3.014 -4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.213 1.286 -4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.007 3.006 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.919 1.276 -4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.795 3.468 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.272 1.804 -1.818 1.00 0.00 H new ATOM 400 N ARG A 24 75.858 2.346 -2.268 1.00 0.00 N ATOM 401 CA ARG A 24 77.039 3.210 -1.985 1.00 0.00 C ATOM 402 C ARG A 24 78.189 2.771 -2.891 1.00 0.00 C ATOM 403 O ARG A 24 78.354 1.600 -3.166 1.00 0.00 O ATOM 404 CB ARG A 24 77.443 3.046 -0.512 1.00 0.00 C ATOM 405 CG ARG A 24 78.412 4.170 -0.092 1.00 0.00 C ATOM 406 CD ARG A 24 77.624 5.400 0.373 1.00 0.00 C ATOM 407 NE ARG A 24 77.142 5.184 1.767 1.00 0.00 N ATOM 408 CZ ARG A 24 76.723 6.196 2.476 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.732 7.397 1.967 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.294 6.006 3.693 1.00 0.00 N ATOM 0 H ARG A 24 76.079 1.419 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 24 76.799 4.256 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.555 3.068 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.916 2.075 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.061 3.820 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.056 4.437 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.255 6.288 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.779 5.576 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 24 77.140 4.245 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.067 7.545 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.404 8.188 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.286 5.067 4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.966 6.797 4.248 1.00 0.00 H new ATOM 424 N LEU A 25 78.995 3.693 -3.350 1.00 0.00 N ATOM 425 CA LEU A 25 80.146 3.325 -4.225 1.00 0.00 C ATOM 426 C LEU A 25 81.408 3.361 -3.361 1.00 0.00 C ATOM 427 O LEU A 25 81.556 4.213 -2.507 1.00 0.00 O ATOM 428 CB LEU A 25 80.247 4.334 -5.371 1.00 0.00 C ATOM 429 CG LEU A 25 79.051 4.178 -6.325 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.994 5.391 -7.262 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.181 2.895 -7.163 1.00 0.00 C ATOM 0 H LEU A 25 78.904 4.690 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 25 80.018 2.332 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.272 5.348 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.178 4.183 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 25 78.138 4.114 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.148 5.287 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.876 6.301 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.917 5.449 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.323 2.807 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.096 2.937 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.216 2.030 -6.501 1.00 0.00 H new ATOM 443 N LEU A 26 82.302 2.422 -3.548 1.00 0.00 N ATOM 444 CA LEU A 26 83.546 2.367 -2.712 1.00 0.00 C ATOM 445 C LEU A 26 84.783 2.337 -3.616 1.00 0.00 C ATOM 446 O LEU A 26 85.078 1.350 -4.260 1.00 0.00 O ATOM 447 CB LEU A 26 83.482 1.091 -1.861 1.00 0.00 C ATOM 448 CG LEU A 26 84.725 0.961 -0.972 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.801 2.137 0.014 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.640 -0.358 -0.196 1.00 0.00 C ATOM 0 H LEU A 26 82.225 1.685 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 26 83.615 3.246 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.586 1.108 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.402 0.220 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 26 85.620 0.972 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.688 2.031 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.857 3.074 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.912 2.141 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.519 -0.463 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.742 -0.359 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.599 -1.191 -0.898 1.00 0.00 H new ATOM 462 N GLY A 27 85.506 3.425 -3.656 1.00 0.00 N ATOM 463 CA GLY A 27 86.731 3.512 -4.506 1.00 0.00 C ATOM 464 C GLY A 27 87.968 3.064 -3.727 1.00 0.00 C ATOM 465 O GLY A 27 88.251 3.551 -2.650 1.00 0.00 O ATOM 0 H GLY A 27 85.296 4.271 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.609 2.889 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.866 4.536 -4.853 1.00 0.00 H new ATOM 469 N ILE A 28 88.719 2.144 -4.282 1.00 0.00 N ATOM 470 CA ILE A 28 89.962 1.655 -3.608 1.00 0.00 C ATOM 471 C ILE A 28 91.172 2.273 -4.309 1.00 0.00 C ATOM 472 O ILE A 28 91.459 1.966 -5.449 1.00 0.00 O ATOM 473 CB ILE A 28 90.052 0.126 -3.721 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.709 -0.511 -3.341 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.145 -0.389 -2.785 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.238 0.023 -1.990 1.00 0.00 C ATOM 0 H ILE A 28 88.522 1.707 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 28 89.941 1.938 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 28 90.293 -0.142 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.965 -0.293 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.812 -1.595 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.210 -1.474 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 28 92.101 0.053 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.904 -0.114 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.284 -0.436 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.977 -0.218 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.117 1.105 -2.049 1.00 0.00 H new ATOM 488 N THR A 29 91.887 3.144 -3.648 1.00 0.00 N ATOM 489 CA THR A 29 93.076 3.773 -4.294 1.00 0.00 C ATOM 490 C THR A 29 94.314 2.924 -3.996 1.00 0.00 C ATOM 491 O THR A 29 94.280 2.024 -3.180 1.00 0.00 O ATOM 492 CB THR A 29 93.263 5.200 -3.742 1.00 0.00 C ATOM 493 OG1 THR A 29 91.994 5.738 -3.403 1.00 0.00 O ATOM 494 CG2 THR A 29 93.923 6.091 -4.799 1.00 0.00 C ATOM 0 H THR A 29 91.700 3.446 -2.692 1.00 0.00 H new ATOM 0 HA THR A 29 92.930 3.828 -5.373 1.00 0.00 H new ATOM 0 HB THR A 29 93.901 5.162 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.688 5.348 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.050 7.097 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.897 5.680 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.292 6.131 -5.687 1.00 0.00 H new ATOM 502 N LYS A 30 95.404 3.200 -4.652 1.00 0.00 N ATOM 503 CA LYS A 30 96.640 2.407 -4.410 1.00 0.00 C ATOM 504 C LYS A 30 97.202 2.739 -3.031 1.00 0.00 C ATOM 505 O LYS A 30 98.010 2.009 -2.490 1.00 0.00 O ATOM 506 CB LYS A 30 97.680 2.754 -5.472 1.00 0.00 C ATOM 507 CG LYS A 30 97.937 4.264 -5.446 1.00 0.00 C ATOM 508 CD LYS A 30 98.885 4.665 -6.593 1.00 0.00 C ATOM 509 CE LYS A 30 98.083 4.947 -7.870 1.00 0.00 C ATOM 510 NZ LYS A 30 97.528 6.329 -7.809 1.00 0.00 N ATOM 0 H LYS A 30 95.493 3.942 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 30 96.402 1.345 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.606 2.211 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.328 2.449 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.994 4.802 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.373 4.549 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.455 5.550 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.604 3.867 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.722 4.838 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.275 4.223 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 96.812 6.449 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 97.090 6.486 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 98.294 7.017 -7.952 1.00 0.00 H new ATOM 524 N GLU A 31 96.794 3.846 -2.467 1.00 0.00 N ATOM 525 CA GLU A 31 97.311 4.254 -1.123 1.00 0.00 C ATOM 526 C GLU A 31 96.158 4.684 -0.215 1.00 0.00 C ATOM 527 O GLU A 31 96.377 5.212 0.857 1.00 0.00 O ATOM 528 CB GLU A 31 98.260 5.441 -1.306 1.00 0.00 C ATOM 529 CG GLU A 31 99.527 5.009 -2.087 1.00 0.00 C ATOM 530 CD GLU A 31 100.766 5.059 -1.182 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.930 6.049 -0.488 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.528 4.106 -1.201 1.00 0.00 O ATOM 0 H GLU A 31 96.120 4.490 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 31 97.827 3.410 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.751 6.242 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.544 5.840 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.394 3.999 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.672 5.664 -2.946 1.00 0.00 H new ATOM 539 N CYS A 32 94.934 4.480 -0.620 1.00 0.00 N ATOM 540 CA CYS A 32 93.810 4.909 0.260 1.00 0.00 C ATOM 541 C CYS A 32 92.463 4.419 -0.292 1.00 0.00 C ATOM 542 O CYS A 32 92.326 4.095 -1.454 1.00 0.00 O ATOM 543 CB CYS A 32 93.809 6.450 0.347 1.00 0.00 C ATOM 544 SG CYS A 32 94.541 7.146 -1.156 1.00 0.00 S ATOM 0 H CYS A 32 94.667 4.044 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 32 93.947 4.475 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.790 6.816 0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.372 6.775 1.222 1.00 0.00 H new ATOM 0 HG CYS A 32 94.537 8.444 -1.080 1.00 0.00 H new ATOM 550 N VAL A 33 91.462 4.401 0.556 1.00 0.00 N ATOM 551 CA VAL A 33 90.089 3.979 0.138 1.00 0.00 C ATOM 552 C VAL A 33 89.186 5.201 0.285 1.00 0.00 C ATOM 553 O VAL A 33 89.368 5.984 1.195 1.00 0.00 O ATOM 554 CB VAL A 33 89.590 2.863 1.062 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.126 2.550 0.744 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.443 1.607 0.859 1.00 0.00 C ATOM 0 H VAL A 33 91.542 4.666 1.538 1.00 0.00 H new ATOM 0 HA VAL A 33 90.088 3.608 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 33 89.671 3.189 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.772 1.756 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.521 3.444 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.040 2.227 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.086 0.815 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.367 1.279 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.484 1.832 1.093 1.00 0.00 H new ATOM 566 N MET A 34 88.232 5.402 -0.601 1.00 0.00 N ATOM 567 CA MET A 34 87.356 6.618 -0.484 1.00 0.00 C ATOM 568 C MET A 34 85.893 6.243 -0.349 1.00 0.00 C ATOM 569 O MET A 34 85.431 5.260 -0.888 1.00 0.00 O ATOM 570 CB MET A 34 87.537 7.495 -1.730 1.00 0.00 C ATOM 571 CG MET A 34 87.623 6.609 -2.975 1.00 0.00 C ATOM 572 SD MET A 34 89.322 6.012 -3.172 1.00 0.00 S ATOM 573 CE MET A 34 90.107 7.595 -3.588 1.00 0.00 C ATOM 0 H MET A 34 88.025 4.787 -1.388 1.00 0.00 H new ATOM 0 HA MET A 34 87.652 7.161 0.413 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.702 8.189 -1.823 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.442 8.096 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 34 86.938 5.766 -2.883 1.00 0.00 H new ATOM 0 HG3 MET A 34 87.319 7.172 -3.857 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.670 7.489 -4.515 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.340 8.359 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.783 7.888 -2.784 1.00 0.00 H new ATOM 583 N ARG A 35 85.151 7.064 0.347 1.00 0.00 N ATOM 584 CA ARG A 35 83.694 6.799 0.498 1.00 0.00 C ATOM 585 C ARG A 35 82.995 7.554 -0.617 1.00 0.00 C ATOM 586 O ARG A 35 83.047 8.767 -0.679 1.00 0.00 O ATOM 587 CB ARG A 35 83.191 7.336 1.841 1.00 0.00 C ATOM 588 CG ARG A 35 83.642 6.421 2.991 1.00 0.00 C ATOM 589 CD ARG A 35 82.742 6.646 4.224 1.00 0.00 C ATOM 590 NE ARG A 35 82.127 8.003 4.172 1.00 0.00 N ATOM 591 CZ ARG A 35 81.102 8.277 4.932 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.618 7.363 5.726 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.563 9.463 4.900 1.00 0.00 N ATOM 0 H ARG A 35 85.492 7.904 0.815 1.00 0.00 H new ATOM 0 HA ARG A 35 83.496 5.728 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.571 8.345 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.103 7.404 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.592 5.378 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.681 6.628 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.961 5.886 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.329 6.540 5.136 1.00 0.00 H new ATOM 0 HE ARG A 35 82.505 8.714 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.040 6.435 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.817 7.576 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.942 10.179 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.762 9.675 5.495 1.00 0.00 H new ATOM 607 N VAL A 36 82.366 6.847 -1.518 1.00 0.00 N ATOM 608 CA VAL A 36 81.684 7.513 -2.660 1.00 0.00 C ATOM 609 C VAL A 36 80.198 7.166 -2.640 1.00 0.00 C ATOM 610 O VAL A 36 79.814 6.018 -2.746 1.00 0.00 O ATOM 611 CB VAL A 36 82.327 7.025 -3.960 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.703 7.750 -5.157 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.828 7.321 -3.918 1.00 0.00 C ATOM 0 H VAL A 36 82.296 5.829 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 36 81.788 8.595 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 36 82.160 5.953 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.166 7.397 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.633 7.547 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.866 8.823 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.293 6.976 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.984 8.395 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.277 6.804 -3.070 1.00 0.00 H new ATOM 623 N ASP A 37 79.359 8.155 -2.507 1.00 0.00 N ATOM 624 CA ASP A 37 77.897 7.894 -2.485 1.00 0.00 C ATOM 625 C ASP A 37 77.468 7.412 -3.864 1.00 0.00 C ATOM 626 O ASP A 37 78.023 7.801 -4.864 1.00 0.00 O ATOM 627 CB ASP A 37 77.149 9.184 -2.129 1.00 0.00 C ATOM 628 CG ASP A 37 75.727 8.846 -1.676 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.213 7.828 -2.112 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.176 9.610 -0.901 1.00 0.00 O ATOM 0 H ASP A 37 79.626 9.135 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 37 77.664 7.134 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.677 9.715 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.118 9.848 -2.993 1.00 0.00 H new ATOM 635 N GLU A 38 76.481 6.575 -3.926 1.00 0.00 N ATOM 636 CA GLU A 38 76.006 6.071 -5.242 1.00 0.00 C ATOM 637 C GLU A 38 74.946 7.031 -5.740 1.00 0.00 C ATOM 638 O GLU A 38 74.642 7.122 -6.913 1.00 0.00 O ATOM 639 CB GLU A 38 75.404 4.690 -5.023 1.00 0.00 C ATOM 640 CG GLU A 38 75.222 3.956 -6.349 1.00 0.00 C ATOM 641 CD GLU A 38 74.060 4.576 -7.125 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.953 4.555 -6.614 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.297 5.062 -8.219 1.00 0.00 O ATOM 0 H GLU A 38 75.976 6.213 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 38 76.814 6.003 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.050 4.108 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.441 4.785 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.138 4.015 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.028 2.899 -6.167 1.00 0.00 H new ATOM 650 N LYS A 39 74.394 7.747 -4.822 1.00 0.00 N ATOM 651 CA LYS A 39 73.348 8.733 -5.142 1.00 0.00 C ATOM 652 C LYS A 39 73.977 9.927 -5.853 1.00 0.00 C ATOM 653 O LYS A 39 73.520 10.359 -6.893 1.00 0.00 O ATOM 654 CB LYS A 39 72.728 9.189 -3.829 1.00 0.00 C ATOM 655 CG LYS A 39 71.615 10.202 -4.097 1.00 0.00 C ATOM 656 CD LYS A 39 70.979 10.617 -2.771 1.00 0.00 C ATOM 657 CE LYS A 39 70.009 11.774 -3.012 1.00 0.00 C ATOM 658 NZ LYS A 39 68.924 11.330 -3.932 1.00 0.00 N ATOM 0 H LYS A 39 74.631 7.688 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 39 72.590 8.296 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.327 8.331 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.492 9.636 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.018 11.076 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.862 9.767 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.452 9.772 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.751 10.917 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.584 12.109 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.540 12.624 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.147 12.021 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.297 11.258 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.569 10.401 -3.628 1.00 0.00 H new ATOM 672 N THR A 40 75.017 10.470 -5.281 1.00 0.00 N ATOM 673 CA THR A 40 75.693 11.657 -5.889 1.00 0.00 C ATOM 674 C THR A 40 77.022 11.251 -6.536 1.00 0.00 C ATOM 675 O THR A 40 77.699 12.072 -7.121 1.00 0.00 O ATOM 676 CB THR A 40 75.972 12.688 -4.792 1.00 0.00 C ATOM 677 OG1 THR A 40 76.731 12.080 -3.756 1.00 0.00 O ATOM 678 CG2 THR A 40 74.650 13.204 -4.224 1.00 0.00 C ATOM 0 H THR A 40 75.433 10.140 -4.410 1.00 0.00 H new ATOM 0 HA THR A 40 75.041 12.078 -6.654 1.00 0.00 H new ATOM 0 HB THR A 40 76.533 13.523 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.912 12.739 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.851 13.938 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.070 13.671 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.085 12.372 -3.803 1.00 0.00 H new ATOM 686 N LYS A 41 77.421 10.006 -6.440 1.00 0.00 N ATOM 687 CA LYS A 41 78.723 9.616 -7.062 1.00 0.00 C ATOM 688 C LYS A 41 79.806 10.596 -6.595 1.00 0.00 C ATOM 689 O LYS A 41 80.819 10.771 -7.244 1.00 0.00 O ATOM 690 CB LYS A 41 78.593 9.667 -8.598 1.00 0.00 C ATOM 691 CG LYS A 41 78.095 8.318 -9.133 1.00 0.00 C ATOM 692 CD LYS A 41 78.151 8.322 -10.663 1.00 0.00 C ATOM 693 CE LYS A 41 77.225 9.409 -11.219 1.00 0.00 C ATOM 694 NZ LYS A 41 76.855 9.071 -12.623 1.00 0.00 N ATOM 0 H LYS A 41 76.913 9.258 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 41 78.993 8.603 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 41 77.901 10.458 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.558 9.910 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 41 78.710 7.509 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 41 77.074 8.136 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 41 79.173 8.498 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 41 77.853 7.347 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.329 9.489 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.722 10.378 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 76.226 9.807 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.715 9.016 -13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.365 8.154 -12.642 1.00 0.00 H new ATOM 708 N GLU A 42 79.596 11.237 -5.471 1.00 0.00 N ATOM 709 CA GLU A 42 80.606 12.212 -4.949 1.00 0.00 C ATOM 710 C GLU A 42 81.438 11.536 -3.855 1.00 0.00 C ATOM 711 O GLU A 42 81.003 10.596 -3.231 1.00 0.00 O ATOM 712 CB GLU A 42 79.867 13.441 -4.370 1.00 0.00 C ATOM 713 CG GLU A 42 80.316 14.721 -5.080 1.00 0.00 C ATOM 714 CD GLU A 42 79.908 14.659 -6.553 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.768 14.314 -6.818 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.742 14.956 -7.392 1.00 0.00 O ATOM 0 H GLU A 42 78.765 11.127 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 42 81.267 12.535 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.791 13.313 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.066 13.522 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.865 15.591 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.397 14.836 -4.996 1.00 0.00 H new ATOM 723 N VAL A 43 82.622 12.027 -3.615 1.00 0.00 N ATOM 724 CA VAL A 43 83.491 11.430 -2.555 1.00 0.00 C ATOM 725 C VAL A 43 83.085 11.999 -1.197 1.00 0.00 C ATOM 726 O VAL A 43 83.085 13.197 -0.993 1.00 0.00 O ATOM 727 CB VAL A 43 84.955 11.777 -2.847 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.834 11.359 -1.664 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.414 11.038 -4.109 1.00 0.00 C ATOM 0 H VAL A 43 83.030 12.821 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 43 83.374 10.346 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 43 85.045 12.852 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.874 11.608 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.511 11.887 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.744 10.284 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.455 11.285 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.319 9.963 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.794 11.340 -4.953 1.00 0.00 H new ATOM 739 N ILE A 44 82.724 11.150 -0.266 1.00 0.00 N ATOM 740 CA ILE A 44 82.299 11.639 1.078 1.00 0.00 C ATOM 741 C ILE A 44 83.460 11.548 2.074 1.00 0.00 C ATOM 742 O ILE A 44 83.529 12.308 3.019 1.00 0.00 O ATOM 743 CB ILE A 44 81.129 10.791 1.577 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.122 10.583 0.438 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.444 11.507 2.742 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.727 11.932 -0.174 1.00 0.00 C ATOM 0 H ILE A 44 82.706 10.137 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 44 81.992 12.682 0.994 1.00 0.00 H new ATOM 0 HB ILE A 44 81.499 9.822 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.557 9.941 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.235 10.073 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.609 10.904 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.160 11.652 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.074 12.476 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.012 11.770 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.273 12.560 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.615 12.426 -0.569 1.00 0.00 H new ATOM 758 N GLN A 45 84.374 10.631 1.885 1.00 0.00 N ATOM 759 CA GLN A 45 85.513 10.528 2.851 1.00 0.00 C ATOM 760 C GLN A 45 86.682 9.743 2.239 1.00 0.00 C ATOM 761 O GLN A 45 86.554 9.092 1.223 1.00 0.00 O ATOM 762 CB GLN A 45 85.047 9.849 4.145 1.00 0.00 C ATOM 763 CG GLN A 45 86.219 9.747 5.132 1.00 0.00 C ATOM 764 CD GLN A 45 85.686 9.554 6.552 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.649 8.951 6.750 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.357 10.046 7.557 1.00 0.00 N ATOM 0 H GLN A 45 84.384 9.959 1.118 1.00 0.00 H new ATOM 0 HA GLN A 45 85.858 11.536 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.232 10.419 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.658 8.855 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.864 8.912 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.828 10.650 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.227 10.552 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.012 9.925 8.509 1.00 0.00 H new ATOM 775 N GLU A 46 87.826 9.830 2.869 1.00 0.00 N ATOM 776 CA GLU A 46 89.059 9.131 2.382 1.00 0.00 C ATOM 777 C GLU A 46 89.739 8.397 3.545 1.00 0.00 C ATOM 778 O GLU A 46 89.644 8.796 4.689 1.00 0.00 O ATOM 779 CB GLU A 46 90.026 10.167 1.784 1.00 0.00 C ATOM 780 CG GLU A 46 89.646 10.446 0.327 1.00 0.00 C ATOM 781 CD GLU A 46 90.624 11.458 -0.272 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.744 12.537 0.285 1.00 0.00 O ATOM 783 OE2 GLU A 46 91.237 11.137 -1.278 1.00 0.00 O ATOM 0 H GLU A 46 87.962 10.370 3.723 1.00 0.00 H new ATOM 0 HA GLU A 46 88.785 8.403 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.989 11.090 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.050 9.797 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.666 9.521 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.628 10.833 0.273 1.00 0.00 H new ATOM 790 N TRP A 47 90.432 7.321 3.251 1.00 0.00 N ATOM 791 CA TRP A 47 91.133 6.543 4.318 1.00 0.00 C ATOM 792 C TRP A 47 92.503 6.107 3.802 1.00 0.00 C ATOM 793 O TRP A 47 92.700 5.943 2.621 1.00 0.00 O ATOM 794 CB TRP A 47 90.336 5.283 4.661 1.00 0.00 C ATOM 795 CG TRP A 47 89.067 5.622 5.383 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.959 6.450 6.453 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.722 5.129 5.115 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.634 6.497 6.846 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.836 5.700 6.055 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.191 4.252 4.152 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.475 5.411 6.046 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.819 3.956 4.139 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.962 4.534 5.084 1.00 0.00 C ATOM 0 H TRP A 47 90.541 6.947 2.308 1.00 0.00 H new ATOM 0 HA TRP A 47 91.232 7.172 5.202 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.102 4.738 3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.944 4.623 5.280 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.773 6.984 6.920 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.289 7.055 7.627 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.843 3.803 3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.819 5.861 6.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.422 3.279 3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.907 4.303 5.070 1.00 0.00 H new ATOM 814 N SER A 48 93.445 5.895 4.678 1.00 0.00 N ATOM 815 CA SER A 48 94.796 5.448 4.227 1.00 0.00 C ATOM 816 C SER A 48 94.804 3.920 4.108 1.00 0.00 C ATOM 817 O SER A 48 94.205 3.225 4.902 1.00 0.00 O ATOM 818 CB SER A 48 95.847 5.894 5.242 1.00 0.00 C ATOM 819 OG SER A 48 96.115 7.279 5.061 1.00 0.00 O ATOM 0 H SER A 48 93.340 6.011 5.686 1.00 0.00 H new ATOM 0 HA SER A 48 95.027 5.890 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.492 5.710 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.762 5.315 5.115 1.00 0.00 H new ATOM 0 HG SER A 48 96.788 7.570 5.712 1.00 0.00 H new ATOM 825 N LEU A 49 95.474 3.391 3.121 1.00 0.00 N ATOM 826 CA LEU A 49 95.513 1.912 2.955 1.00 0.00 C ATOM 827 C LEU A 49 96.317 1.300 4.110 1.00 0.00 C ATOM 828 O LEU A 49 96.122 0.160 4.480 1.00 0.00 O ATOM 829 CB LEU A 49 96.177 1.578 1.592 1.00 0.00 C ATOM 830 CG LEU A 49 95.162 0.929 0.634 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.673 1.032 -0.807 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.977 -0.548 1.005 1.00 0.00 C ATOM 0 H LEU A 49 95.996 3.920 2.422 1.00 0.00 H new ATOM 0 HA LEU A 49 94.505 1.498 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.576 2.488 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 49 97.019 0.904 1.748 1.00 0.00 H new ATOM 0 HG LEU A 49 94.207 1.448 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.952 0.572 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.801 2.081 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.630 0.517 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.258 -1.006 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.933 -1.066 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.608 -0.623 2.028 1.00 0.00 H new ATOM 844 N THR A 50 97.220 2.050 4.675 1.00 0.00 N ATOM 845 CA THR A 50 98.036 1.513 5.795 1.00 0.00 C ATOM 846 C THR A 50 97.205 1.510 7.082 1.00 0.00 C ATOM 847 O THR A 50 97.640 1.032 8.111 1.00 0.00 O ATOM 848 CB THR A 50 99.280 2.392 5.980 1.00 0.00 C ATOM 849 OG1 THR A 50 99.756 2.801 4.706 1.00 0.00 O ATOM 850 CG2 THR A 50 100.376 1.607 6.706 1.00 0.00 C ATOM 0 H THR A 50 97.428 3.012 4.409 1.00 0.00 H new ATOM 0 HA THR A 50 98.343 0.492 5.568 1.00 0.00 H new ATOM 0 HB THR A 50 99.017 3.266 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 50 100.550 3.364 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.254 2.240 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.012 1.293 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 50 100.643 0.728 6.119 1.00 0.00 H new ATOM 858 N ASN A 51 96.012 2.042 7.034 1.00 0.00 N ATOM 859 CA ASN A 51 95.153 2.072 8.257 1.00 0.00 C ATOM 860 C ASN A 51 94.336 0.780 8.346 1.00 0.00 C ATOM 861 O ASN A 51 94.059 0.286 9.421 1.00 0.00 O ATOM 862 CB ASN A 51 94.203 3.274 8.190 1.00 0.00 C ATOM 863 CG ASN A 51 94.977 4.556 8.507 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.275 4.566 8.381 1.00 0.00 O flip ATOM 865 ND2 ASN A 51 94.394 5.557 8.873 1.00 0.00 N flip ATOM 0 H ASN A 51 95.594 2.457 6.201 1.00 0.00 H new ATOM 0 HA ASN A 51 95.788 2.160 9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.756 3.343 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.386 3.145 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 51 93.379 5.549 8.971 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.920 6.406 9.082 1.00 0.00 H new ATOM 872 N ILE A 52 93.947 0.228 7.229 1.00 0.00 N ATOM 873 CA ILE A 52 93.148 -1.030 7.265 1.00 0.00 C ATOM 874 C ILE A 52 93.918 -2.098 8.044 1.00 0.00 C ATOM 875 O ILE A 52 95.060 -2.391 7.752 1.00 0.00 O ATOM 876 CB ILE A 52 92.889 -1.516 5.837 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.989 -0.506 5.117 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.198 -2.884 5.880 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.882 -0.870 3.635 1.00 0.00 C ATOM 0 H ILE A 52 94.147 0.592 6.297 1.00 0.00 H new ATOM 0 HA ILE A 52 92.193 -0.842 7.756 1.00 0.00 H new ATOM 0 HB ILE A 52 93.834 -1.608 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.998 -0.499 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.396 0.499 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 92.013 -3.230 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.838 -3.599 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.250 -2.796 6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.241 -0.148 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.874 -0.854 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.455 -1.868 3.535 1.00 0.00 H new ATOM 891 N LYS A 53 93.300 -2.679 9.040 1.00 0.00 N ATOM 892 CA LYS A 53 93.989 -3.728 9.852 1.00 0.00 C ATOM 893 C LYS A 53 93.613 -5.118 9.330 1.00 0.00 C ATOM 894 O LYS A 53 94.465 -5.949 9.083 1.00 0.00 O ATOM 895 CB LYS A 53 93.552 -3.597 11.313 1.00 0.00 C ATOM 896 CG LYS A 53 94.148 -4.744 12.131 1.00 0.00 C ATOM 897 CD LYS A 53 94.034 -4.422 13.622 1.00 0.00 C ATOM 898 CE LYS A 53 94.468 -5.638 14.444 1.00 0.00 C ATOM 899 NZ LYS A 53 94.701 -5.225 15.857 1.00 0.00 N ATOM 0 H LYS A 53 92.344 -2.471 9.327 1.00 0.00 H new ATOM 0 HA LYS A 53 95.068 -3.597 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.881 -2.640 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.464 -3.615 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.625 -5.674 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.193 -4.893 11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.658 -3.563 13.868 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.007 -4.151 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.701 -6.411 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.378 -6.068 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.996 -6.051 16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.447 -4.501 15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.823 -4.834 16.254 1.00 0.00 H new ATOM 913 N ARG A 54 92.344 -5.383 9.167 1.00 0.00 N ATOM 914 CA ARG A 54 91.914 -6.725 8.667 1.00 0.00 C ATOM 915 C ARG A 54 90.607 -6.588 7.892 1.00 0.00 C ATOM 916 O ARG A 54 90.024 -5.525 7.814 1.00 0.00 O ATOM 917 CB ARG A 54 91.673 -7.661 9.857 1.00 0.00 C ATOM 918 CG ARG A 54 90.788 -6.952 10.907 1.00 0.00 C ATOM 919 CD ARG A 54 89.910 -7.969 11.646 1.00 0.00 C ATOM 920 NE ARG A 54 89.469 -7.374 12.941 1.00 0.00 N ATOM 921 CZ ARG A 54 88.521 -7.943 13.632 1.00 0.00 C ATOM 922 NH1 ARG A 54 87.962 -9.038 13.196 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.131 -7.415 14.760 1.00 0.00 N ATOM 0 H ARG A 54 91.585 -4.729 9.358 1.00 0.00 H new ATOM 0 HA ARG A 54 92.693 -7.129 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.189 -8.577 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.625 -7.949 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.417 -6.419 11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.159 -6.208 10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.045 -8.232 11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.467 -8.889 11.824 1.00 0.00 H new ATOM 0 HE ARG A 54 89.910 -6.521 13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.266 -9.450 12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.220 -9.482 13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.568 -6.558 15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.389 -7.859 15.302 1.00 0.00 H new ATOM 937 N TRP A 55 90.134 -7.667 7.334 1.00 0.00 N ATOM 938 CA TRP A 55 88.851 -7.613 6.580 1.00 0.00 C ATOM 939 C TRP A 55 88.248 -9.007 6.493 1.00 0.00 C ATOM 940 O TRP A 55 88.861 -9.983 6.852 1.00 0.00 O ATOM 941 CB TRP A 55 89.088 -7.074 5.168 1.00 0.00 C ATOM 942 CG TRP A 55 90.182 -7.853 4.509 1.00 0.00 C ATOM 943 CD1 TRP A 55 90.042 -9.088 3.976 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.573 -7.473 4.303 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.260 -9.492 3.458 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.235 -8.530 3.634 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.319 -6.326 4.629 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.588 -8.452 3.300 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.681 -6.244 4.294 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.313 -7.305 3.631 1.00 0.00 C ATOM 0 H TRP A 55 90.580 -8.584 7.367 1.00 0.00 H new ATOM 0 HA TRP A 55 88.164 -6.948 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.172 -7.147 4.582 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.355 -6.018 5.211 1.00 0.00 H new ATOM 0 HD1 TRP A 55 89.129 -9.665 3.958 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.418 -10.391 3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.842 -5.503 5.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 94.071 -9.272 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.244 -5.358 4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.360 -7.236 3.376 1.00 0.00 H new ATOM 961 N ALA A 56 87.043 -9.102 6.015 1.00 0.00 N ATOM 962 CA ALA A 56 86.388 -10.435 5.883 1.00 0.00 C ATOM 963 C ALA A 56 85.458 -10.392 4.670 1.00 0.00 C ATOM 964 O ALA A 56 84.533 -9.606 4.619 1.00 0.00 O ATOM 965 CB ALA A 56 85.585 -10.744 7.146 1.00 0.00 C ATOM 0 H ALA A 56 86.478 -8.311 5.707 1.00 0.00 H new ATOM 0 HA ALA A 56 87.139 -11.214 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.108 -11.719 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.252 -10.754 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.821 -9.980 7.288 1.00 0.00 H new ATOM 971 N ALA A 57 85.700 -11.218 3.686 1.00 0.00 N ATOM 972 CA ALA A 57 84.835 -11.210 2.465 1.00 0.00 C ATOM 973 C ALA A 57 83.807 -12.333 2.547 1.00 0.00 C ATOM 974 O ALA A 57 84.124 -13.495 2.388 1.00 0.00 O ATOM 975 CB ALA A 57 85.708 -11.416 1.227 1.00 0.00 C ATOM 0 H ALA A 57 86.459 -11.899 3.673 1.00 0.00 H new ATOM 0 HA ALA A 57 84.317 -10.253 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 57 85.082 -11.411 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.441 -10.612 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.225 -12.373 1.302 1.00 0.00 H new ATOM 981 N SER A 58 82.569 -11.989 2.784 1.00 0.00 N ATOM 982 CA SER A 58 81.503 -13.021 2.866 1.00 0.00 C ATOM 983 C SER A 58 80.859 -13.153 1.474 1.00 0.00 C ATOM 984 O SER A 58 80.902 -12.217 0.701 1.00 0.00 O ATOM 985 CB SER A 58 80.457 -12.569 3.893 1.00 0.00 C ATOM 986 OG SER A 58 80.836 -13.032 5.182 1.00 0.00 O ATOM 0 H SER A 58 82.252 -11.030 2.925 1.00 0.00 H new ATOM 0 HA SER A 58 81.911 -13.983 3.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.376 -11.482 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.476 -12.961 3.627 1.00 0.00 H new ATOM 0 HG SER A 58 80.171 -12.744 5.842 1.00 0.00 H new ATOM 992 N PRO A 59 80.273 -14.294 1.181 1.00 0.00 N ATOM 993 CA PRO A 59 79.623 -14.505 -0.126 1.00 0.00 C ATOM 994 C PRO A 59 78.519 -13.458 -0.348 1.00 0.00 C ATOM 995 O PRO A 59 77.805 -13.504 -1.331 1.00 0.00 O ATOM 996 CB PRO A 59 79.030 -15.934 -0.042 1.00 0.00 C ATOM 997 CG PRO A 59 79.227 -16.426 1.418 1.00 0.00 C ATOM 998 CD PRO A 59 80.203 -15.452 2.100 1.00 0.00 C ATOM 0 HA PRO A 59 80.316 -14.402 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.973 -15.928 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.531 -16.601 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.275 -16.450 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.624 -17.441 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.844 -15.155 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.184 -15.907 2.241 1.00 0.00 H new ATOM 1006 N LYS A 60 78.352 -12.529 0.563 1.00 0.00 N ATOM 1007 CA LYS A 60 77.271 -11.511 0.395 1.00 0.00 C ATOM 1008 C LYS A 60 77.684 -10.161 0.983 1.00 0.00 C ATOM 1009 O LYS A 60 77.053 -9.155 0.724 1.00 0.00 O ATOM 1010 CB LYS A 60 76.040 -12.002 1.146 1.00 0.00 C ATOM 1011 CG LYS A 60 76.367 -12.109 2.640 1.00 0.00 C ATOM 1012 CD LYS A 60 75.376 -13.053 3.323 1.00 0.00 C ATOM 1013 CE LYS A 60 75.444 -12.860 4.841 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.433 -13.735 5.500 1.00 0.00 N ATOM 0 H LYS A 60 78.914 -12.433 1.409 1.00 0.00 H new ATOM 0 HA LYS A 60 77.072 -11.381 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.208 -11.315 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.727 -12.972 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.384 -12.477 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.322 -11.123 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.365 -12.855 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.608 -14.087 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.443 -13.103 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 60 75.257 -11.816 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.479 -13.604 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 73.482 -13.483 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.631 -14.729 5.268 1.00 0.00 H new ATOM 1028 N SER A 61 78.707 -10.124 1.794 1.00 0.00 N ATOM 1029 CA SER A 61 79.116 -8.819 2.418 1.00 0.00 C ATOM 1030 C SER A 61 80.639 -8.696 2.532 1.00 0.00 C ATOM 1031 O SER A 61 81.372 -9.662 2.453 1.00 0.00 O ATOM 1032 CB SER A 61 78.504 -8.725 3.815 1.00 0.00 C ATOM 1033 OG SER A 61 78.763 -9.929 4.524 1.00 0.00 O ATOM 0 H SER A 61 79.276 -10.929 2.054 1.00 0.00 H new ATOM 0 HA SER A 61 78.758 -8.011 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.925 -7.875 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.430 -8.556 3.743 1.00 0.00 H new ATOM 0 HG SER A 61 78.373 -9.871 5.421 1.00 0.00 H new ATOM 1039 N PHE A 62 81.101 -7.485 2.731 1.00 0.00 N ATOM 1040 CA PHE A 62 82.567 -7.211 2.874 1.00 0.00 C ATOM 1041 C PHE A 62 82.779 -6.382 4.142 1.00 0.00 C ATOM 1042 O PHE A 62 81.989 -5.514 4.454 1.00 0.00 O ATOM 1043 CB PHE A 62 83.062 -6.413 1.666 1.00 0.00 C ATOM 1044 CG PHE A 62 84.545 -6.138 1.812 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.458 -7.197 1.780 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.006 -4.824 1.982 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.829 -6.947 1.917 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.378 -4.576 2.117 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.288 -5.637 2.085 1.00 0.00 C ATOM 0 H PHE A 62 80.510 -6.656 2.802 1.00 0.00 H new ATOM 0 HA PHE A 62 83.118 -8.150 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.874 -6.969 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.514 -5.474 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.105 -8.209 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.304 -4.004 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.532 -7.766 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.733 -3.564 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.346 -5.445 2.190 1.00 0.00 H new ATOM 1059 N THR A 63 83.827 -6.645 4.887 1.00 0.00 N ATOM 1060 CA THR A 63 84.069 -5.869 6.148 1.00 0.00 C ATOM 1061 C THR A 63 85.539 -5.467 6.245 1.00 0.00 C ATOM 1062 O THR A 63 86.419 -6.163 5.783 1.00 0.00 O ATOM 1063 CB THR A 63 83.694 -6.743 7.354 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.285 -6.911 7.390 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.162 -6.082 8.656 1.00 0.00 C ATOM 0 H THR A 63 84.523 -7.360 4.678 1.00 0.00 H new ATOM 0 HA THR A 63 83.458 -4.966 6.139 1.00 0.00 H new ATOM 0 HB THR A 63 84.182 -7.713 7.256 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.042 -7.469 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.890 -6.712 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.244 -5.956 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.685 -5.107 8.761 1.00 0.00 H new ATOM 1073 N LEU A 64 85.803 -4.346 6.865 1.00 0.00 N ATOM 1074 CA LEU A 64 87.212 -3.876 7.032 1.00 0.00 C ATOM 1075 C LEU A 64 87.346 -3.197 8.392 1.00 0.00 C ATOM 1076 O LEU A 64 86.382 -2.708 8.949 1.00 0.00 O ATOM 1077 CB LEU A 64 87.602 -2.911 5.904 1.00 0.00 C ATOM 1078 CG LEU A 64 86.580 -1.753 5.781 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.000 -0.558 6.656 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.493 -1.292 4.315 1.00 0.00 C ATOM 0 H LEU A 64 85.096 -3.730 7.267 1.00 0.00 H new ATOM 0 HA LEU A 64 87.888 -4.730 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.595 -2.505 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.657 -3.453 4.960 1.00 0.00 H new ATOM 0 HG LEU A 64 85.610 -2.117 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.268 0.243 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.052 -0.871 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.978 -0.199 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.773 -0.478 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.472 -0.946 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 64 86.172 -2.125 3.690 1.00 0.00 H new ATOM 1092 N ASP A 65 88.533 -3.189 8.943 1.00 0.00 N ATOM 1093 CA ASP A 65 88.749 -2.569 10.292 1.00 0.00 C ATOM 1094 C ASP A 65 89.919 -1.587 10.232 1.00 0.00 C ATOM 1095 O ASP A 65 91.015 -1.931 9.837 1.00 0.00 O ATOM 1096 CB ASP A 65 89.072 -3.670 11.311 1.00 0.00 C ATOM 1097 CG ASP A 65 88.091 -4.837 11.153 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.789 -5.189 10.025 1.00 0.00 O ATOM 1099 OD2 ASP A 65 87.665 -5.367 12.165 1.00 0.00 O ATOM 0 H ASP A 65 89.369 -3.587 8.516 1.00 0.00 H new ATOM 0 HA ASP A 65 87.845 -2.038 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 65 90.094 -4.021 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 65 89.012 -3.269 12.323 1.00 0.00 H new ATOM 1104 N PHE A 66 89.695 -0.365 10.639 1.00 0.00 N ATOM 1105 CA PHE A 66 90.790 0.648 10.628 1.00 0.00 C ATOM 1106 C PHE A 66 91.457 0.660 12.000 1.00 0.00 C ATOM 1107 O PHE A 66 92.369 1.421 12.256 1.00 0.00 O ATOM 1108 CB PHE A 66 90.202 2.031 10.355 1.00 0.00 C ATOM 1109 CG PHE A 66 89.630 2.076 8.956 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.477 1.938 7.849 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.253 2.256 8.764 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.948 1.979 6.553 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.726 2.298 7.470 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.574 2.158 6.364 1.00 0.00 C ATOM 0 H PHE A 66 88.796 -0.024 10.980 1.00 0.00 H new ATOM 0 HA PHE A 66 91.515 0.399 9.854 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.423 2.256 11.084 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.973 2.793 10.467 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.538 1.800 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.599 2.362 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.601 1.872 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.665 2.438 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.166 2.188 5.364 1.00 0.00 H new ATOM 1124 N GLY A 67 90.994 -0.173 12.889 1.00 0.00 N ATOM 1125 CA GLY A 67 91.581 -0.213 14.259 1.00 0.00 C ATOM 1126 C GLY A 67 90.878 0.827 15.131 1.00 0.00 C ATOM 1127 O GLY A 67 91.143 0.945 16.311 1.00 0.00 O ATOM 0 H GLY A 67 90.232 -0.831 12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.464 -1.207 14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.651 -0.008 14.217 1.00 0.00 H new ATOM 1131 N ASP A 68 89.981 1.583 14.557 1.00 0.00 N ATOM 1132 CA ASP A 68 89.260 2.615 15.350 1.00 0.00 C ATOM 1133 C ASP A 68 88.223 1.938 16.250 1.00 0.00 C ATOM 1134 O ASP A 68 87.150 1.572 15.813 1.00 0.00 O ATOM 1135 CB ASP A 68 88.561 3.589 14.398 1.00 0.00 C ATOM 1136 CG ASP A 68 88.026 2.821 13.189 1.00 0.00 C ATOM 1137 OD1 ASP A 68 87.914 1.610 13.283 1.00 0.00 O ATOM 1138 OD2 ASP A 68 87.737 3.458 12.189 1.00 0.00 O ATOM 0 H ASP A 68 89.718 1.529 13.573 1.00 0.00 H new ATOM 0 HA ASP A 68 89.970 3.162 15.970 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.744 4.094 14.913 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.259 4.361 14.073 1.00 0.00 H new ATOM 1143 N TYR A 69 88.535 1.777 17.503 1.00 0.00 N ATOM 1144 CA TYR A 69 87.576 1.135 18.437 1.00 0.00 C ATOM 1145 C TYR A 69 86.353 2.039 18.612 1.00 0.00 C ATOM 1146 O TYR A 69 85.235 1.579 18.720 1.00 0.00 O ATOM 1147 CB TYR A 69 88.263 0.936 19.789 1.00 0.00 C ATOM 1148 CG TYR A 69 87.254 0.462 20.806 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.893 -0.886 20.851 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.681 1.374 21.700 1.00 0.00 C ATOM 1151 CE1 TYR A 69 85.957 -1.329 21.794 1.00 0.00 C ATOM 1152 CE2 TYR A 69 85.746 0.933 22.643 1.00 0.00 C ATOM 1153 CZ TYR A 69 85.383 -0.418 22.690 1.00 0.00 C ATOM 1154 OH TYR A 69 84.460 -0.853 23.619 1.00 0.00 O ATOM 0 H TYR A 69 89.419 2.065 17.922 1.00 0.00 H new ATOM 0 HA TYR A 69 87.256 0.172 18.039 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.069 0.208 19.695 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.715 1.871 20.119 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.335 -1.587 20.159 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.960 2.417 21.662 1.00 0.00 H new ATOM 0 HE1 TYR A 69 85.678 -2.372 21.830 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.304 1.635 23.335 1.00 0.00 H new ATOM 0 HH TYR A 69 84.162 -0.095 24.163 1.00 0.00 H new ATOM 1164 N GLN A 70 86.567 3.323 18.654 1.00 0.00 N ATOM 1165 CA GLN A 70 85.431 4.269 18.838 1.00 0.00 C ATOM 1166 C GLN A 70 84.557 4.306 17.583 1.00 0.00 C ATOM 1167 O GLN A 70 83.350 4.184 17.654 1.00 0.00 O ATOM 1168 CB GLN A 70 85.984 5.671 19.121 1.00 0.00 C ATOM 1169 CG GLN A 70 86.894 6.140 17.967 1.00 0.00 C ATOM 1170 CD GLN A 70 86.077 6.918 16.927 1.00 0.00 C ATOM 1171 OE1 GLN A 70 84.863 6.910 16.962 1.00 0.00 O ATOM 1172 NE2 GLN A 70 86.698 7.593 15.998 1.00 0.00 N ATOM 0 H GLN A 70 87.484 3.761 18.568 1.00 0.00 H new ATOM 0 HA GLN A 70 84.821 3.934 19.677 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.160 6.373 19.250 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.546 5.664 20.055 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.693 6.771 18.358 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.369 5.279 17.496 1.00 0.00 H new ATOM 0 HE21 GLN A 70 87.718 7.600 15.968 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.164 8.113 15.302 1.00 0.00 H new ATOM 1181 N ASP A 71 85.149 4.487 16.436 1.00 0.00 N ATOM 1182 CA ASP A 71 84.343 4.546 15.188 1.00 0.00 C ATOM 1183 C ASP A 71 83.675 3.193 14.945 1.00 0.00 C ATOM 1184 O ASP A 71 82.543 3.115 14.510 1.00 0.00 O ATOM 1185 CB ASP A 71 85.260 4.891 14.013 1.00 0.00 C ATOM 1186 CG ASP A 71 84.435 5.470 12.860 1.00 0.00 C ATOM 1187 OD1 ASP A 71 83.675 4.721 12.267 1.00 0.00 O ATOM 1188 OD2 ASP A 71 84.577 6.651 12.590 1.00 0.00 O ATOM 0 H ASP A 71 86.155 4.596 16.310 1.00 0.00 H new ATOM 0 HA ASP A 71 83.573 5.311 15.284 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.015 5.611 14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.790 3.999 13.680 1.00 0.00 H new ATOM 1193 N GLY A 72 84.372 2.125 15.224 1.00 0.00 N ATOM 1194 CA GLY A 72 83.790 0.766 15.014 1.00 0.00 C ATOM 1195 C GLY A 72 84.226 0.228 13.651 1.00 0.00 C ATOM 1196 O GLY A 72 84.969 0.863 12.929 1.00 0.00 O ATOM 0 H GLY A 72 85.324 2.134 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.119 0.092 15.805 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.702 0.813 15.067 1.00 0.00 H new ATOM 1200 N TYR A 73 83.774 -0.943 13.295 1.00 0.00 N ATOM 1201 CA TYR A 73 84.166 -1.530 11.982 1.00 0.00 C ATOM 1202 C TYR A 73 83.294 -0.951 10.867 1.00 0.00 C ATOM 1203 O TYR A 73 82.380 -0.187 11.106 1.00 0.00 O ATOM 1204 CB TYR A 73 83.977 -3.047 12.025 1.00 0.00 C ATOM 1205 CG TYR A 73 84.749 -3.621 13.190 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.142 -3.522 13.212 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.074 -4.253 14.242 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.866 -4.054 14.286 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.796 -4.784 15.317 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.193 -4.686 15.339 1.00 0.00 C ATOM 1211 OH TYR A 73 86.906 -5.210 16.398 1.00 0.00 O ATOM 0 H TYR A 73 83.149 -1.520 13.858 1.00 0.00 H new ATOM 0 HA TYR A 73 85.211 -1.290 11.786 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.919 -3.289 12.122 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.322 -3.493 11.092 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.661 -3.035 12.400 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.997 -4.331 14.224 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.943 -3.977 14.302 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.276 -5.269 16.130 1.00 0.00 H new ATOM 0 HH TYR A 73 86.287 -5.612 17.042 1.00 0.00 H new ATOM 1221 N TYR A 74 83.575 -1.326 9.645 1.00 0.00 N ATOM 1222 CA TYR A 74 82.785 -0.834 8.481 1.00 0.00 C ATOM 1223 C TYR A 74 82.412 -2.033 7.613 1.00 0.00 C ATOM 1224 O TYR A 74 83.248 -2.616 6.951 1.00 0.00 O ATOM 1225 CB TYR A 74 83.639 0.131 7.664 1.00 0.00 C ATOM 1226 CG TYR A 74 82.809 0.751 6.563 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.918 1.790 6.857 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.933 0.287 5.246 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.151 2.365 5.836 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.166 0.863 4.225 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.276 1.901 4.520 1.00 0.00 C ATOM 1232 OH TYR A 74 80.520 2.469 3.515 1.00 0.00 O ATOM 0 H TYR A 74 84.333 -1.964 9.403 1.00 0.00 H new ATOM 0 HA TYR A 74 81.887 -0.321 8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.041 0.911 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.490 -0.398 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.822 2.148 7.871 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.620 -0.515 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.463 3.166 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.262 0.506 3.210 1.00 0.00 H new ATOM 0 HH TYR A 74 79.569 2.389 3.736 1.00 0.00 H new ATOM 1242 N SER A 75 81.164 -2.410 7.626 1.00 0.00 N ATOM 1243 CA SER A 75 80.701 -3.583 6.821 1.00 0.00 C ATOM 1244 C SER A 75 79.525 -3.183 5.934 1.00 0.00 C ATOM 1245 O SER A 75 78.732 -2.327 6.272 1.00 0.00 O ATOM 1246 CB SER A 75 80.263 -4.701 7.766 1.00 0.00 C ATOM 1247 OG SER A 75 79.900 -5.846 7.005 1.00 0.00 O ATOM 0 H SER A 75 80.432 -1.950 8.167 1.00 0.00 H new ATOM 0 HA SER A 75 81.520 -3.928 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.072 -4.949 8.454 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.419 -4.371 8.372 1.00 0.00 H new ATOM 0 HG SER A 75 80.655 -6.469 6.971 1.00 0.00 H new ATOM 1253 N VAL A 76 79.415 -3.809 4.795 1.00 0.00 N ATOM 1254 CA VAL A 76 78.299 -3.493 3.857 1.00 0.00 C ATOM 1255 C VAL A 76 77.987 -4.736 3.024 1.00 0.00 C ATOM 1256 O VAL A 76 78.703 -5.717 3.068 1.00 0.00 O ATOM 1257 CB VAL A 76 78.722 -2.354 2.927 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.971 -1.087 3.746 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.009 -2.748 2.200 1.00 0.00 C ATOM 0 H VAL A 76 80.056 -4.533 4.470 1.00 0.00 H new ATOM 0 HA VAL A 76 77.416 -3.191 4.421 1.00 0.00 H new ATOM 0 HB VAL A 76 77.931 -2.166 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.272 -0.277 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.057 -0.806 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.762 -1.273 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.314 -1.939 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.797 -2.935 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.835 -3.651 1.615 1.00 0.00 H new ATOM 1269 N GLN A 77 76.925 -4.710 2.267 1.00 0.00 N ATOM 1270 CA GLN A 77 76.574 -5.895 1.440 1.00 0.00 C ATOM 1271 C GLN A 77 77.444 -5.920 0.178 1.00 0.00 C ATOM 1272 O GLN A 77 77.708 -4.902 -0.430 1.00 0.00 O ATOM 1273 CB GLN A 77 75.088 -5.814 1.046 1.00 0.00 C ATOM 1274 CG GLN A 77 74.219 -6.436 2.144 1.00 0.00 C ATOM 1275 CD GLN A 77 72.763 -6.489 1.677 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.424 -5.944 0.645 1.00 0.00 O ATOM 1277 NE2 GLN A 77 71.883 -7.128 2.397 1.00 0.00 N ATOM 0 H GLN A 77 76.286 -3.919 2.186 1.00 0.00 H new ATOM 0 HA GLN A 77 76.751 -6.806 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.801 -4.774 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.925 -6.335 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.573 -7.440 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.297 -5.850 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.168 -7.585 3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 77 70.910 -7.170 2.094 1.00 0.00 H new ATOM 1286 N THR A 78 77.877 -7.088 -0.219 1.00 0.00 N ATOM 1287 CA THR A 78 78.720 -7.215 -1.440 1.00 0.00 C ATOM 1288 C THR A 78 78.491 -8.590 -2.057 1.00 0.00 C ATOM 1289 O THR A 78 78.713 -9.607 -1.432 1.00 0.00 O ATOM 1290 CB THR A 78 80.199 -7.086 -1.078 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.543 -8.090 -0.134 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.473 -5.709 -0.480 1.00 0.00 C ATOM 0 H THR A 78 77.679 -7.968 0.258 1.00 0.00 H new ATOM 0 HA THR A 78 78.449 -6.426 -2.142 1.00 0.00 H new ATOM 0 HB THR A 78 80.800 -7.208 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.948 -8.861 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.530 -5.627 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.214 -4.939 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.872 -5.577 0.419 1.00 0.00 H new ATOM 1300 N THR A 79 78.059 -8.630 -3.278 1.00 0.00 N ATOM 1301 CA THR A 79 77.829 -9.942 -3.937 1.00 0.00 C ATOM 1302 C THR A 79 79.167 -10.663 -4.082 1.00 0.00 C ATOM 1303 O THR A 79 79.236 -11.876 -4.089 1.00 0.00 O ATOM 1304 CB THR A 79 77.221 -9.715 -5.320 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.081 -8.875 -5.203 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.811 -11.056 -5.927 1.00 0.00 C ATOM 0 H THR A 79 77.854 -7.812 -3.852 1.00 0.00 H new ATOM 0 HA THR A 79 77.147 -10.544 -3.337 1.00 0.00 H new ATOM 0 HB THR A 79 77.958 -9.239 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.691 -8.727 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.378 -10.892 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.688 -11.697 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.075 -11.537 -5.283 1.00 0.00 H new ATOM 1314 N GLU A 80 80.231 -9.914 -4.201 1.00 0.00 N ATOM 1315 CA GLU A 80 81.586 -10.523 -4.351 1.00 0.00 C ATOM 1316 C GLU A 80 82.345 -10.390 -3.036 1.00 0.00 C ATOM 1317 O GLU A 80 82.579 -11.356 -2.336 1.00 0.00 O ATOM 1318 CB GLU A 80 82.353 -9.792 -5.460 1.00 0.00 C ATOM 1319 CG GLU A 80 81.479 -9.682 -6.719 1.00 0.00 C ATOM 1320 CD GLU A 80 81.291 -11.067 -7.345 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.608 -11.880 -6.744 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.826 -11.290 -8.418 1.00 0.00 O ATOM 0 H GLU A 80 80.219 -8.894 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 80 81.488 -11.577 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.641 -8.798 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.273 -10.329 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.510 -9.254 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.945 -9.008 -7.438 1.00 0.00 H new ATOM 1329 N GLY A 81 82.731 -9.200 -2.700 1.00 0.00 N ATOM 1330 CA GLY A 81 83.481 -8.980 -1.430 1.00 0.00 C ATOM 1331 C GLY A 81 84.873 -9.604 -1.539 1.00 0.00 C ATOM 1332 O GLY A 81 85.841 -9.083 -1.021 1.00 0.00 O ATOM 0 H GLY A 81 82.561 -8.359 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.565 -7.913 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.938 -9.422 -0.594 1.00 0.00 H new ATOM 1336 N GLU A 82 84.981 -10.715 -2.213 1.00 0.00 N ATOM 1337 CA GLU A 82 86.306 -11.373 -2.360 1.00 0.00 C ATOM 1338 C GLU A 82 87.210 -10.478 -3.206 1.00 0.00 C ATOM 1339 O GLU A 82 88.277 -10.073 -2.789 1.00 0.00 O ATOM 1340 CB GLU A 82 86.107 -12.730 -3.052 1.00 0.00 C ATOM 1341 CG GLU A 82 87.433 -13.236 -3.616 1.00 0.00 C ATOM 1342 CD GLU A 82 87.336 -14.734 -3.914 1.00 0.00 C ATOM 1343 OE1 GLU A 82 87.443 -15.512 -2.981 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.157 -15.077 -5.071 1.00 0.00 O ATOM 0 H GLU A 82 84.206 -11.196 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 82 86.768 -11.529 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.706 -13.453 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.376 -12.633 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.682 -12.691 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.236 -13.050 -2.903 1.00 0.00 H new ATOM 1351 N GLN A 83 86.779 -10.166 -4.390 1.00 0.00 N ATOM 1352 CA GLN A 83 87.592 -9.293 -5.282 1.00 0.00 C ATOM 1353 C GLN A 83 88.000 -8.057 -4.502 1.00 0.00 C ATOM 1354 O GLN A 83 89.149 -7.661 -4.485 1.00 0.00 O ATOM 1355 CB GLN A 83 86.763 -8.867 -6.495 1.00 0.00 C ATOM 1356 CG GLN A 83 86.080 -10.077 -7.123 1.00 0.00 C ATOM 1357 CD GLN A 83 85.114 -9.608 -8.205 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.919 -10.115 -8.237 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 85.449 -8.775 -9.024 1.00 0.00 N flip ATOM 0 H GLN A 83 85.892 -10.479 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 83 88.472 -9.837 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 83 86.014 -8.135 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.405 -8.382 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.825 -10.748 -7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.543 -10.642 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 83 86.389 -8.380 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.790 -8.471 -9.741 1.00 0.00 H new ATOM 1368 N ILE A 84 87.061 -7.458 -3.839 1.00 0.00 N ATOM 1369 CA ILE A 84 87.375 -6.255 -3.032 1.00 0.00 C ATOM 1370 C ILE A 84 88.527 -6.605 -2.094 1.00 0.00 C ATOM 1371 O ILE A 84 89.351 -5.777 -1.759 1.00 0.00 O ATOM 1372 CB ILE A 84 86.142 -5.858 -2.218 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.932 -5.746 -3.154 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.390 -4.513 -1.533 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.734 -5.166 -2.394 1.00 0.00 C ATOM 0 H ILE A 84 86.084 -7.750 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 84 87.656 -5.421 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 84 85.946 -6.615 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.177 -5.109 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.679 -6.728 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.510 -4.232 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.250 -4.596 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.586 -3.751 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.879 -5.090 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.482 -5.819 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.988 -4.176 -2.016 1.00 0.00 H new ATOM 1387 N ALA A 85 88.593 -7.843 -1.682 1.00 0.00 N ATOM 1388 CA ALA A 85 89.693 -8.281 -0.778 1.00 0.00 C ATOM 1389 C ALA A 85 90.920 -8.636 -1.618 1.00 0.00 C ATOM 1390 O ALA A 85 92.041 -8.578 -1.154 1.00 0.00 O ATOM 1391 CB ALA A 85 89.239 -9.508 0.016 1.00 0.00 C ATOM 0 H ALA A 85 87.927 -8.573 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 85 89.945 -7.478 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 85 90.042 -9.830 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.360 -9.253 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.990 -10.315 -0.673 1.00 0.00 H new ATOM 1397 N GLN A 86 90.714 -9.005 -2.855 1.00 0.00 N ATOM 1398 CA GLN A 86 91.864 -9.365 -3.727 1.00 0.00 C ATOM 1399 C GLN A 86 92.477 -8.092 -4.293 1.00 0.00 C ATOM 1400 O GLN A 86 93.679 -7.962 -4.409 1.00 0.00 O ATOM 1401 CB GLN A 86 91.374 -10.245 -4.873 1.00 0.00 C ATOM 1402 CG GLN A 86 92.566 -10.903 -5.559 1.00 0.00 C ATOM 1403 CD GLN A 86 92.134 -11.483 -6.902 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.957 -11.604 -7.177 1.00 0.00 O ATOM 1405 NE2 GLN A 86 93.046 -11.849 -7.756 1.00 0.00 N ATOM 0 H GLN A 86 89.797 -9.072 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 86 92.611 -9.907 -3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.693 -11.007 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.814 -9.646 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.361 -10.172 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.972 -11.692 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.034 -11.746 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.773 -12.238 -8.658 1.00 0.00 H new ATOM 1414 N LEU A 87 91.654 -7.148 -4.632 1.00 0.00 N ATOM 1415 CA LEU A 87 92.175 -5.874 -5.176 1.00 0.00 C ATOM 1416 C LEU A 87 92.875 -5.139 -4.044 1.00 0.00 C ATOM 1417 O LEU A 87 93.949 -4.593 -4.199 1.00 0.00 O ATOM 1418 CB LEU A 87 91.009 -5.031 -5.702 1.00 0.00 C ATOM 1419 CG LEU A 87 91.514 -3.656 -6.158 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.625 -3.823 -7.211 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.346 -2.867 -6.758 1.00 0.00 C ATOM 0 H LEU A 87 90.638 -7.205 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 87 92.870 -6.058 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.526 -5.544 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.257 -4.910 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 87 91.921 -3.118 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.976 -2.841 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.454 -4.383 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.232 -4.363 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.698 -1.888 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.940 -3.410 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.568 -2.740 -6.005 1.00 0.00 H new ATOM 1433 N ILE A 88 92.264 -5.140 -2.899 1.00 0.00 N ATOM 1434 CA ILE A 88 92.867 -4.464 -1.726 1.00 0.00 C ATOM 1435 C ILE A 88 94.106 -5.252 -1.298 1.00 0.00 C ATOM 1436 O ILE A 88 95.171 -4.703 -1.108 1.00 0.00 O ATOM 1437 CB ILE A 88 91.833 -4.436 -0.593 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.780 -3.366 -0.905 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.519 -4.109 0.742 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.634 -3.455 0.103 1.00 0.00 C ATOM 0 H ILE A 88 91.363 -5.585 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 88 93.157 -3.442 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 88 91.358 -5.414 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.233 -2.375 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.398 -3.503 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.775 -4.092 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.269 -4.869 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 88 93.001 -3.134 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.889 -2.692 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 88 89.173 -4.441 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 88 90.021 -3.295 1.109 1.00 0.00 H new ATOM 1452 N ALA A 89 93.970 -6.540 -1.158 1.00 0.00 N ATOM 1453 CA ALA A 89 95.137 -7.373 -0.755 1.00 0.00 C ATOM 1454 C ALA A 89 96.245 -7.196 -1.791 1.00 0.00 C ATOM 1455 O ALA A 89 97.392 -7.522 -1.556 1.00 0.00 O ATOM 1456 CB ALA A 89 94.723 -8.844 -0.700 1.00 0.00 C ATOM 0 H ALA A 89 93.101 -7.053 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 89 95.491 -7.064 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.578 -9.452 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.921 -8.969 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.374 -9.161 -1.683 1.00 0.00 H new ATOM 1462 N GLY A 90 95.901 -6.691 -2.946 1.00 0.00 N ATOM 1463 CA GLY A 90 96.918 -6.499 -4.021 1.00 0.00 C ATOM 1464 C GLY A 90 97.573 -5.120 -3.902 1.00 0.00 C ATOM 1465 O GLY A 90 98.722 -4.948 -4.252 1.00 0.00 O ATOM 0 H GLY A 90 94.954 -6.402 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.679 -7.276 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.446 -6.600 -4.998 1.00 0.00 H new ATOM 1469 N TYR A 91 96.865 -4.131 -3.420 1.00 0.00 N ATOM 1470 CA TYR A 91 97.484 -2.777 -3.300 1.00 0.00 C ATOM 1471 C TYR A 91 98.326 -2.719 -2.024 1.00 0.00 C ATOM 1472 O TYR A 91 99.212 -1.900 -1.890 1.00 0.00 O ATOM 1473 CB TYR A 91 96.389 -1.698 -3.222 1.00 0.00 C ATOM 1474 CG TYR A 91 95.831 -1.368 -4.599 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.680 -0.929 -5.633 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.453 -1.474 -4.833 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.146 -0.608 -6.888 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.925 -1.149 -6.088 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.771 -0.720 -7.115 1.00 0.00 C ATOM 1480 OH TYR A 91 94.247 -0.399 -8.351 1.00 0.00 O ATOM 0 H TYR A 91 95.896 -4.200 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 91 98.109 -2.595 -4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.583 -2.043 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.798 -0.795 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.742 -0.840 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.797 -1.807 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.798 -0.273 -7.681 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.862 -1.230 -6.263 1.00 0.00 H new ATOM 0 HH TYR A 91 93.276 -0.533 -8.340 1.00 0.00 H new ATOM 1490 N ILE A 92 98.042 -3.568 -1.080 1.00 0.00 N ATOM 1491 CA ILE A 92 98.809 -3.547 0.196 1.00 0.00 C ATOM 1492 C ILE A 92 100.194 -4.168 -0.005 1.00 0.00 C ATOM 1493 O ILE A 92 101.124 -3.883 0.722 1.00 0.00 O ATOM 1494 CB ILE A 92 98.040 -4.340 1.250 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.706 -3.637 1.524 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.865 -4.409 2.537 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.828 -4.519 2.415 1.00 0.00 C ATOM 0 H ILE A 92 97.311 -4.277 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 92 98.935 -2.515 0.523 1.00 0.00 H new ATOM 0 HB ILE A 92 97.853 -5.353 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.883 -2.677 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.194 -3.430 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.317 -4.975 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.816 -4.901 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.050 -3.400 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.881 -4.014 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.638 -5.468 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.338 -4.704 3.360 1.00 0.00 H new ATOM 1509 N ASP A 93 100.337 -5.017 -0.981 1.00 0.00 N ATOM 1510 CA ASP A 93 101.658 -5.663 -1.228 1.00 0.00 C ATOM 1511 C ASP A 93 102.536 -4.744 -2.082 1.00 0.00 C ATOM 1512 O ASP A 93 103.741 -4.893 -2.137 1.00 0.00 O ATOM 1513 CB ASP A 93 101.435 -6.985 -1.966 1.00 0.00 C ATOM 1514 CG ASP A 93 100.911 -8.039 -0.988 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.382 -8.059 0.138 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.050 -8.808 -1.381 1.00 0.00 O ATOM 0 H ASP A 93 99.594 -5.294 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 93 102.157 -5.848 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.723 -6.843 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.368 -7.324 -2.415 1.00 0.00 H new ATOM 1521 N ILE A 94 101.939 -3.805 -2.763 1.00 0.00 N ATOM 1522 CA ILE A 94 102.728 -2.883 -3.633 1.00 0.00 C ATOM 1523 C ILE A 94 103.239 -1.693 -2.822 1.00 0.00 C ATOM 1524 O ILE A 94 104.211 -1.062 -3.179 1.00 0.00 O ATOM 1525 CB ILE A 94 101.833 -2.378 -4.763 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.304 -3.576 -5.555 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.646 -1.470 -5.688 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.225 -3.114 -6.536 1.00 0.00 C ATOM 0 H ILE A 94 100.933 -3.635 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 94 103.582 -3.422 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 94 100.997 -1.815 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 94 102.120 -4.054 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.894 -4.321 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 94 102.009 -1.109 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 94 103.029 -0.622 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.480 -2.032 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.852 -3.971 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.404 -2.656 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.649 -2.385 -7.227 1.00 0.00 H new ATOM 1540 N ILE A 95 102.593 -1.378 -1.738 1.00 0.00 N ATOM 1541 CA ILE A 95 103.047 -0.220 -0.910 1.00 0.00 C ATOM 1542 C ILE A 95 104.161 -0.670 0.026 1.00 0.00 C ATOM 1543 O ILE A 95 105.042 0.088 0.379 1.00 0.00 O ATOM 1544 CB ILE A 95 101.879 0.306 -0.077 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.249 -0.847 0.710 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.832 0.931 -1.000 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.004 -0.343 1.443 1.00 0.00 C ATOM 0 H ILE A 95 101.771 -1.869 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 95 103.413 0.569 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 95 102.243 1.061 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.982 -1.660 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.967 -1.249 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.999 1.306 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.281 1.755 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.468 0.178 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.555 -1.163 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.285 0.455 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.284 0.038 0.718 1.00 0.00 H new ATOM 1559 N LEU A 96 104.115 -1.899 0.437 1.00 0.00 N ATOM 1560 CA LEU A 96 105.153 -2.425 1.365 1.00 0.00 C ATOM 1561 C LEU A 96 106.439 -2.737 0.588 1.00 0.00 C ATOM 1562 O LEU A 96 107.512 -2.818 1.151 1.00 0.00 O ATOM 1563 CB LEU A 96 104.609 -3.704 2.017 1.00 0.00 C ATOM 1564 CG LEU A 96 103.734 -3.353 3.241 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.768 -4.502 3.533 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.612 -3.123 4.479 1.00 0.00 C ATOM 0 H LEU A 96 103.397 -2.572 0.169 1.00 0.00 H new ATOM 0 HA LEU A 96 105.385 -1.684 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 96 104.022 -4.268 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.436 -4.344 2.325 1.00 0.00 H new ATOM 0 HG LEU A 96 103.178 -2.443 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.153 -4.250 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.127 -4.667 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.335 -5.409 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 96 103.980 -2.877 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.179 -4.028 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.301 -2.300 4.288 1.00 0.00 H new ATOM 1578 N LYS A 97 106.332 -2.926 -0.695 1.00 0.00 N ATOM 1579 CA LYS A 97 107.538 -3.249 -1.512 1.00 0.00 C ATOM 1580 C LYS A 97 108.323 -1.973 -1.839 1.00 0.00 C ATOM 1581 O LYS A 97 109.511 -1.888 -1.603 1.00 0.00 O ATOM 1582 CB LYS A 97 107.092 -3.911 -2.819 1.00 0.00 C ATOM 1583 CG LYS A 97 108.318 -4.427 -3.617 1.00 0.00 C ATOM 1584 CD LYS A 97 108.095 -4.222 -5.119 1.00 0.00 C ATOM 1585 CE LYS A 97 109.340 -4.667 -5.888 1.00 0.00 C ATOM 1586 NZ LYS A 97 109.272 -4.150 -7.284 1.00 0.00 N ATOM 0 H LYS A 97 105.458 -2.871 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 97 108.180 -3.923 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 97 106.418 -4.740 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 97 106.533 -3.196 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 97 109.217 -3.898 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 97 108.479 -5.484 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 97 107.228 -4.793 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 97 107.883 -3.173 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 97 110.238 -4.295 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 97 109.407 -5.755 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.118 -4.452 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 108.423 -4.525 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 109.228 -3.111 -7.268 1.00 0.00 H new ATOM 1600 N LYS A 98 107.672 -0.991 -2.400 1.00 0.00 N ATOM 1601 CA LYS A 98 108.379 0.268 -2.766 1.00 0.00 C ATOM 1602 C LYS A 98 109.274 0.729 -1.615 1.00 0.00 C ATOM 1603 O LYS A 98 110.396 1.146 -1.822 1.00 0.00 O ATOM 1604 CB LYS A 98 107.345 1.352 -3.078 1.00 0.00 C ATOM 1605 CG LYS A 98 106.461 0.910 -4.254 1.00 0.00 C ATOM 1606 CD LYS A 98 107.243 0.986 -5.574 1.00 0.00 C ATOM 1607 CE LYS A 98 106.265 0.993 -6.752 1.00 0.00 C ATOM 1608 NZ LYS A 98 105.390 2.196 -6.665 1.00 0.00 N ATOM 0 H LYS A 98 106.676 -1.007 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 98 109.002 0.086 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 98 106.728 1.542 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 98 107.849 2.287 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 98 106.111 -0.109 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 98 105.577 1.545 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 98 107.857 1.886 -5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 98 107.921 0.136 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 98 106.814 0.997 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 98 105.658 0.087 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 105.124 2.502 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 104.532 1.963 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 105.902 2.964 -6.186 1.00 0.00 H new ATOM 1622 N LYS A 99 108.793 0.667 -0.406 1.00 0.00 N ATOM 1623 CA LYS A 99 109.629 1.113 0.741 1.00 0.00 C ATOM 1624 C LYS A 99 110.694 0.057 1.045 1.00 0.00 C ATOM 1625 O LYS A 99 111.559 0.255 1.876 1.00 0.00 O ATOM 1626 CB LYS A 99 108.747 1.333 1.971 1.00 0.00 C ATOM 1627 CG LYS A 99 107.895 0.084 2.231 1.00 0.00 C ATOM 1628 CD LYS A 99 107.245 0.155 3.627 1.00 0.00 C ATOM 1629 CE LYS A 99 105.961 0.994 3.572 1.00 0.00 C ATOM 1630 NZ LYS A 99 105.592 1.428 4.949 1.00 0.00 N ATOM 0 H LYS A 99 107.862 0.329 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 99 110.120 2.052 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 99 109.368 1.548 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 99 108.102 2.198 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 99 107.122 -0.002 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 99 108.516 -0.809 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 99 107.016 -0.850 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.944 0.593 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 99 106.109 1.864 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 99 105.151 0.411 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 104.722 1.997 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 105.434 0.591 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 106.362 1.999 5.351 1.00 0.00 H new ATOM 1644 N LYS A 100 110.641 -1.062 0.376 1.00 0.00 N ATOM 1645 CA LYS A 100 111.652 -2.130 0.622 1.00 0.00 C ATOM 1646 C LYS A 100 111.758 -3.027 -0.614 1.00 0.00 C ATOM 1647 O LYS A 100 110.939 -3.922 -0.743 1.00 0.00 O ATOM 1648 CB LYS A 100 111.227 -2.972 1.827 1.00 0.00 C ATOM 1649 CG LYS A 100 112.383 -3.884 2.243 1.00 0.00 C ATOM 1650 CD LYS A 100 111.886 -4.907 3.265 1.00 0.00 C ATOM 1651 CE LYS A 100 113.015 -5.882 3.605 1.00 0.00 C ATOM 1652 NZ LYS A 100 112.462 -7.036 4.367 1.00 0.00 N ATOM 1653 OXT LYS A 100 112.655 -2.803 -1.409 1.00 0.00 O ATOM 0 H LYS A 100 109.940 -1.283 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 100 112.620 -1.671 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 100 110.944 -2.323 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 100 110.350 -3.569 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 100 112.789 -4.395 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 100 113.192 -3.291 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 100 111.546 -4.399 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.031 -5.451 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.495 -6.232 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.781 -5.377 4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.229 -7.699 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.024 -6.694 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.747 -7.522 3.790 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 89.478 -18.478 9.337 1.00 0.00 N ATOM 1669 CA SER B 1 88.299 -17.621 9.648 1.00 0.00 C ATOM 1670 C SER B 1 88.521 -16.220 9.075 1.00 0.00 C ATOM 1671 O SER B 1 88.279 -15.968 7.911 1.00 0.00 O ATOM 1672 CB SER B 1 88.124 -17.527 11.164 1.00 0.00 C ATOM 1673 OG SER B 1 89.378 -17.223 11.761 1.00 0.00 O ATOM 0 H1 SER B 1 89.179 -19.472 9.278 1.00 0.00 H new ATOM 0 H2 SER B 1 89.889 -18.186 8.428 1.00 0.00 H new ATOM 0 H3 SER B 1 90.190 -18.375 10.088 1.00 0.00 H new ATOM 0 HA SER B 1 87.405 -18.059 9.204 1.00 0.00 H new ATOM 0 HB2 SER B 1 87.394 -16.756 11.411 1.00 0.00 H new ATOM 0 HB3 SER B 1 87.739 -18.468 11.557 1.00 0.00 H new ATOM 0 HG SER B 1 89.271 -17.160 12.733 1.00 0.00 H new ATOM 1681 N TRP B 2 88.981 -15.308 9.885 1.00 0.00 N ATOM 1682 CA TRP B 2 89.222 -13.922 9.395 1.00 0.00 C ATOM 1683 C TRP B 2 90.458 -13.914 8.487 1.00 0.00 C ATOM 1684 O TRP B 2 90.996 -14.944 8.133 1.00 0.00 O ATOM 1685 CB TRP B 2 89.466 -12.993 10.604 1.00 0.00 C ATOM 1686 CG TRP B 2 88.172 -12.445 11.117 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.393 -13.035 12.048 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.509 -11.201 10.753 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.289 -12.233 12.280 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.317 -11.089 11.505 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.825 -10.170 9.851 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.468 -9.990 11.367 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.974 -9.063 9.710 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.799 -8.973 10.467 1.00 0.00 C ATOM 0 H TRP B 2 89.201 -15.463 10.869 1.00 0.00 H new ATOM 0 HA TRP B 2 88.356 -13.573 8.833 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.973 -13.544 11.396 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.124 -12.174 10.313 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.598 -13.978 12.533 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.546 -12.459 12.942 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.729 -10.230 9.263 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.562 -9.926 11.951 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.226 -8.276 9.014 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.149 -8.118 10.355 1.00 0.00 H new ATOM 1705 N VAL B 3 90.912 -12.745 8.128 1.00 0.00 N ATOM 1706 CA VAL B 3 92.116 -12.619 7.266 1.00 0.00 C ATOM 1707 C VAL B 3 92.806 -11.303 7.623 1.00 0.00 C ATOM 1708 O VAL B 3 92.160 -10.294 7.830 1.00 0.00 O ATOM 1709 CB VAL B 3 91.710 -12.629 5.788 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.531 -11.684 5.582 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.896 -12.181 4.919 1.00 0.00 C ATOM 0 H VAL B 3 90.490 -11.858 8.402 1.00 0.00 H new ATOM 0 HA VAL B 3 92.794 -13.456 7.430 1.00 0.00 H new ATOM 0 HB VAL B 3 91.420 -13.639 5.498 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.240 -11.689 4.532 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.690 -12.013 6.193 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.819 -10.674 5.874 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.602 -12.190 3.869 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.195 -11.172 5.203 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.733 -12.863 5.067 1.00 0.00 H new HETATM 1721 N PTR B 4 94.109 -11.312 7.724 1.00 0.00 N HETATM 1722 CA PTR B 4 94.856 -10.071 8.101 1.00 0.00 C HETATM 1723 C PTR B 4 95.654 -9.561 6.899 1.00 0.00 C HETATM 1724 O PTR B 4 95.446 -9.980 5.778 1.00 0.00 O HETATM 1725 CB PTR B 4 95.819 -10.404 9.248 1.00 0.00 C HETATM 1726 CG PTR B 4 95.053 -10.521 10.554 1.00 0.00 C HETATM 1727 CD1 PTR B 4 94.075 -11.516 10.715 1.00 0.00 C HETATM 1728 CD2 PTR B 4 95.331 -9.642 11.612 1.00 0.00 C HETATM 1729 CE1 PTR B 4 93.383 -11.629 11.928 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.634 -9.755 12.821 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.661 -10.748 12.980 1.00 0.00 C HETATM 1732 OH PTR B 4 92.935 -10.874 14.266 1.00 0.00 O HETATM 1733 P PTR B 4 91.611 -10.225 14.147 1.00 0.00 P HETATM 1734 O1P PTR B 4 90.882 -10.356 15.429 1.00 0.00 O HETATM 1735 O2P PTR B 4 90.836 -10.881 13.071 1.00 0.00 O HETATM 1736 O3P PTR B 4 91.791 -8.791 13.826 1.00 0.00 O HETATM 0 HE2 PTR B 4 94.850 -9.068 13.640 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.627 -12.404 12.053 1.00 0.00 H new HETATM 0 HD2 PTR B 4 96.091 -8.870 11.492 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.854 -12.201 9.896 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.339 -11.339 9.037 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.580 -9.628 9.332 1.00 0.00 H new HETATM 0 HA PTR B 4 94.153 -9.300 8.415 1.00 0.00 H new ATOM 1745 N SER B 5 96.568 -8.654 7.136 1.00 0.00 N ATOM 1746 CA SER B 5 97.402 -8.088 6.032 1.00 0.00 C ATOM 1747 C SER B 5 98.874 -8.078 6.494 1.00 0.00 C ATOM 1748 O SER B 5 99.125 -7.959 7.677 1.00 0.00 O ATOM 1749 CB SER B 5 96.938 -6.654 5.763 1.00 0.00 C ATOM 1750 OG SER B 5 97.471 -5.797 6.762 1.00 0.00 O ATOM 0 H SER B 5 96.774 -8.277 8.061 1.00 0.00 H new ATOM 0 HA SER B 5 97.304 -8.683 5.124 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.268 -6.331 4.776 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.849 -6.604 5.767 1.00 0.00 H new ATOM 0 HG SER B 5 96.767 -5.200 7.091 1.00 0.00 H new ATOM 1756 N PRO B 6 99.819 -8.199 5.576 1.00 0.00 N ATOM 1757 CA PRO B 6 101.246 -8.197 5.954 1.00 0.00 C ATOM 1758 C PRO B 6 101.591 -6.891 6.688 1.00 0.00 C ATOM 1759 O PRO B 6 102.581 -6.807 7.389 1.00 0.00 O ATOM 1760 CB PRO B 6 102.015 -8.319 4.617 1.00 0.00 C ATOM 1761 CG PRO B 6 100.963 -8.277 3.471 1.00 0.00 C ATOM 1762 CD PRO B 6 99.565 -8.343 4.124 1.00 0.00 C ATOM 0 HA PRO B 6 101.505 -9.010 6.633 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.732 -7.505 4.510 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.582 -9.249 4.584 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.070 -7.364 2.885 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.107 -9.113 2.787 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.918 -7.547 3.755 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.068 -9.287 3.901 1.00 0.00 H new ATOM 1770 N LEU B 7 100.784 -5.876 6.534 1.00 0.00 N ATOM 1771 CA LEU B 7 101.070 -4.587 7.222 1.00 0.00 C ATOM 1772 C LEU B 7 101.358 -4.851 8.701 1.00 0.00 C ATOM 1773 O LEU B 7 100.456 -4.979 9.504 1.00 0.00 O ATOM 1774 CB LEU B 7 99.853 -3.659 7.102 1.00 0.00 C ATOM 1775 CG LEU B 7 99.597 -3.292 5.623 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.114 -2.953 5.422 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.449 -2.074 5.225 1.00 0.00 C ATOM 0 H LEU B 7 99.940 -5.885 5.962 1.00 0.00 H new ATOM 0 HA LEU B 7 101.936 -4.115 6.758 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.973 -4.148 7.519 1.00 0.00 H new ATOM 0 HB3 LEU B 7 100.020 -2.753 7.684 1.00 0.00 H new ATOM 0 HG LEU B 7 99.869 -4.144 4.999 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.938 -2.695 4.378 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.504 -3.816 5.690 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.845 -2.107 6.055 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.261 -1.824 4.181 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.186 -1.224 5.855 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.505 -2.310 5.357 1.00 0.00 H new ATOM 1789 N HIS B 8 102.607 -4.933 9.069 1.00 0.00 N ATOM 1790 CA HIS B 8 102.946 -5.188 10.496 1.00 0.00 C ATOM 1791 C HIS B 8 102.472 -4.011 11.351 1.00 0.00 C ATOM 1792 O HIS B 8 103.160 -3.004 11.372 1.00 0.00 O ATOM 1793 CB HIS B 8 104.460 -5.345 10.636 1.00 0.00 C ATOM 1794 CG HIS B 8 104.959 -6.328 9.613 1.00 0.00 C ATOM 1795 ND1 HIS B 8 104.631 -7.674 9.661 1.00 0.00 N ATOM 1796 CD2 HIS B 8 105.761 -6.176 8.510 1.00 0.00 C ATOM 1797 CE1 HIS B 8 105.230 -8.274 8.615 1.00 0.00 C ATOM 1798 NE2 HIS B 8 105.931 -7.406 7.881 1.00 0.00 N ATOM 1799 OXT HIS B 8 101.428 -4.138 11.970 1.00 0.00 O ATOM 0 H HIS B 8 103.406 -4.834 8.443 1.00 0.00 H new ATOM 0 HA HIS B 8 102.453 -6.100 10.832 1.00 0.00 H new ATOM 0 HB2 HIS B 8 104.950 -4.381 10.499 1.00 0.00 H new ATOM 0 HB3 HIS B 8 104.709 -5.690 11.639 1.00 0.00 H new ATOM 0 HD2 HIS B 8 106.195 -5.244 8.180 1.00 0.00 H new ATOM 0 HE1 HIS B 8 105.153 -9.329 8.396 1.00 0.00 H new ATOM 0 HE2 HIS B 8 106.474 -7.602 7.040 1.00 0.00 H new TER 1807 HIS B 8