USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 THR OG1 : rot -170:sc= 0.482 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.00619 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -5.34! C(o=-7.6!,f=-8.2!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -2.26! C(o=-11!,f=-7.6!) USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -21.9! C(o=-35!,f=-28!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -5.96! C(o=-39!,f=-28!) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.139! K(o=-28!,f=-31) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -10.6! C(o=-13!,f=-17!) USER MOD Set 4.2: A 57 TYR OH : rot 15:sc= -1.99! USER MOD Set 5.1: A 41 LYS NZ :NH3+ 146:sc= 0.0111 (180deg=-0.161) USER MOD Set 5.2: A 43 ASN :FLIP amide:sc= -0.16 F(o=-2.1,f=-0.15) USER MOD Set 6.1: A 36 ASN : amide:sc= 0.117 K(o=0.12,f=-3.8!) USER MOD Set 6.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 9 ASN : amide:sc= -15.6! C(o=-21!,f=-24!) USER MOD Set 7.2: A 11 TYR OH : rot 58:sc= -4.89! USER MOD Set 8.1: A 6 CYS SG : rot -24:sc= -25.2! USER MOD Set 8.2: A 103 CYS SG : rot -169:sc= -38.1! USER MOD Set 9.1: A 2 CYS SG : rot 180:sc= 0.852 USER MOD Set 9.2: A 10 CYS SG : rot 103:sc= -7.37! USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.147 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -59:sc= -0.245 USER MOD Single : A 8 SER OG : rot 63:sc= 0.955 USER MOD Single : A 12 SER OG : rot 180:sc= 0.394 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 103:sc= 0.00256 USER MOD Single : A 20 GLN :FLIP amide:sc= -26.1! C(o=-27!,f=-26!) USER MOD Single : A 24 TYR OH : rot 86:sc= 0.536! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 152:sc= -1.83! USER MOD Single : A 37 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 40 HIS : no HE2:sc= -7.9! C(o=-7.9!,f=-13!) USER MOD Single : A 42 TYR OH : rot 42:sc= -1.6! USER MOD Single : A 44 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.58) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -4:sc= 0.411! USER MOD Single : A 63 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -70:sc= -12.2! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.31! C(o=-14!,f=-7.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -14.8! C(o=-22!,f=-15!) USER MOD Single : A 104 THR OG1 : rot -12:sc= 0.704 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.617 -14.501 -6.953 1.00 0.00 N ATOM 2 CA ALA A 1 -7.319 -14.547 -7.604 1.00 0.00 C ATOM 3 C ALA A 1 -6.285 -13.843 -6.722 1.00 0.00 C ATOM 4 O ALA A 1 -6.578 -13.484 -5.582 1.00 0.00 O ATOM 5 CB ALA A 1 -7.423 -13.919 -8.995 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.009 -15.462 -6.892 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.512 -14.108 -5.996 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.261 -13.899 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.992 -15.578 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.449 -13.953 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.148 -14.473 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.746 -12.882 -8.903 1.00 0.00 H new ATOM 11 N CYS A 2 -5.099 -13.666 -7.283 1.00 0.00 N ATOM 12 CA CYS A 2 -4.020 -13.011 -6.562 1.00 0.00 C ATOM 13 C CYS A 2 -3.655 -11.726 -7.307 1.00 0.00 C ATOM 14 O CYS A 2 -2.504 -11.536 -7.697 1.00 0.00 O ATOM 15 CB CYS A 2 -2.812 -13.934 -6.391 1.00 0.00 C ATOM 16 SG CYS A 2 -3.073 -15.655 -6.960 1.00 0.00 S ATOM 0 H CYS A 2 -4.860 -13.965 -8.229 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.351 -12.764 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.969 -13.510 -6.936 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.533 -13.953 -5.337 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.987 -16.344 -6.770 1.00 0.00 H new ATOM 21 N ASP A 3 -4.657 -10.876 -7.482 1.00 0.00 N ATOM 22 CA ASP A 3 -4.456 -9.614 -8.174 1.00 0.00 C ATOM 23 C ASP A 3 -3.108 -9.020 -7.760 1.00 0.00 C ATOM 24 O ASP A 3 -2.483 -8.294 -8.531 1.00 0.00 O ATOM 25 CB ASP A 3 -5.548 -8.607 -7.811 1.00 0.00 C ATOM 26 CG ASP A 3 -6.968 -9.025 -8.200 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.279 -10.220 -8.015 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.710 -8.137 -8.674 1.00 0.00 O ATOM 0 H ASP A 3 -5.610 -11.037 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.487 -9.808 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.518 -8.433 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.320 -7.657 -8.294 1.00 0.00 H new ATOM 33 N TYR A 4 -2.701 -9.351 -6.543 1.00 0.00 N ATOM 34 CA TYR A 4 -1.439 -8.859 -6.017 1.00 0.00 C ATOM 35 C TYR A 4 -0.668 -9.974 -5.308 1.00 0.00 C ATOM 36 O TYR A 4 -1.109 -10.479 -4.275 1.00 0.00 O ATOM 37 CB TYR A 4 -1.800 -7.777 -4.999 1.00 0.00 C ATOM 38 CG TYR A 4 -2.562 -6.591 -5.594 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.884 -5.615 -6.294 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.930 -6.498 -5.429 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.602 -4.500 -6.855 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.648 -5.382 -5.989 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.948 -4.439 -6.675 1.00 0.00 C ATOM 44 OH TYR A 4 -4.626 -3.385 -7.203 1.00 0.00 O ATOM 0 H TYR A 4 -3.223 -9.954 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.809 -8.482 -6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.403 -8.223 -4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.885 -7.411 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.814 -5.687 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.461 -7.262 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.083 -3.730 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.718 -5.296 -5.867 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.580 -3.473 -6.997 1.00 0.00 H new ATOM 54 N THR A 5 0.469 -10.326 -5.889 1.00 0.00 N ATOM 55 CA THR A 5 1.305 -11.373 -5.324 1.00 0.00 C ATOM 56 C THR A 5 2.730 -10.860 -5.110 1.00 0.00 C ATOM 57 O THR A 5 3.491 -10.713 -6.066 1.00 0.00 O ATOM 58 CB THR A 5 1.229 -12.589 -6.250 1.00 0.00 C ATOM 59 OG1 THR A 5 -0.051 -13.152 -5.980 1.00 0.00 O ATOM 60 CG2 THR A 5 2.213 -13.690 -5.851 1.00 0.00 C ATOM 0 H THR A 5 0.831 -9.906 -6.745 1.00 0.00 H new ATOM 0 HA THR A 5 0.950 -11.674 -4.338 1.00 0.00 H new ATOM 0 HB THR A 5 1.429 -12.278 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.108 -13.394 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.118 -14.530 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.230 -13.301 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.992 -14.025 -4.838 1.00 0.00 H new ATOM 68 N CYS A 6 3.049 -10.600 -3.851 1.00 0.00 N ATOM 69 CA CYS A 6 4.370 -10.107 -3.499 1.00 0.00 C ATOM 70 C CYS A 6 5.330 -11.296 -3.449 1.00 0.00 C ATOM 71 O CYS A 6 5.834 -11.647 -2.384 1.00 0.00 O ATOM 72 CB CYS A 6 4.351 -9.333 -2.179 1.00 0.00 C ATOM 73 SG CYS A 6 3.793 -7.595 -2.317 1.00 0.00 S ATOM 0 H CYS A 6 2.415 -10.721 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 6 4.710 -9.399 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.700 -9.854 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.354 -9.345 -1.752 1.00 0.00 H new ATOM 0 HG CYS A 6 3.986 -7.172 -3.531 1.00 0.00 H new ATOM 78 N GLY A 7 5.553 -11.885 -4.615 1.00 0.00 N ATOM 79 CA GLY A 7 6.444 -13.028 -4.718 1.00 0.00 C ATOM 80 C GLY A 7 5.701 -14.331 -4.413 1.00 0.00 C ATOM 81 O GLY A 7 5.760 -15.280 -5.193 1.00 0.00 O ATOM 0 H GLY A 7 5.132 -11.592 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.869 -13.073 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.276 -12.909 -4.024 1.00 0.00 H new ATOM 85 N SER A 8 5.021 -14.335 -3.276 1.00 0.00 N ATOM 86 CA SER A 8 4.267 -15.505 -2.858 1.00 0.00 C ATOM 87 C SER A 8 3.096 -15.084 -1.969 1.00 0.00 C ATOM 88 O SER A 8 2.891 -15.651 -0.896 1.00 0.00 O ATOM 89 CB SER A 8 5.163 -16.502 -2.121 1.00 0.00 C ATOM 90 OG SER A 8 5.138 -16.300 -0.711 1.00 0.00 O ATOM 0 H SER A 8 4.976 -13.546 -2.631 1.00 0.00 H new ATOM 0 HA SER A 8 3.878 -15.997 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.839 -17.518 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.187 -16.406 -2.483 1.00 0.00 H new ATOM 0 HG SER A 8 4.230 -16.451 -0.375 1.00 0.00 H new ATOM 96 N ASN A 9 2.358 -14.092 -2.445 1.00 0.00 N ATOM 97 CA ASN A 9 1.214 -13.588 -1.706 1.00 0.00 C ATOM 98 C ASN A 9 -0.038 -13.692 -2.579 1.00 0.00 C ATOM 99 O ASN A 9 -0.018 -14.343 -3.623 1.00 0.00 O ATOM 100 CB ASN A 9 1.406 -12.118 -1.328 1.00 0.00 C ATOM 101 CG ASN A 9 2.753 -11.902 -0.634 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.830 -11.539 0.529 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.806 -12.144 -1.409 1.00 0.00 N ATOM 0 H ASN A 9 2.531 -13.624 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 9 1.111 -14.183 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.350 -11.498 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.598 -11.800 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.749 -12.028 -1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.670 -12.445 -2.374 1.00 0.00 H new ATOM 110 N CYS A 10 -1.097 -13.040 -2.121 1.00 0.00 N ATOM 111 CA CYS A 10 -2.354 -13.051 -2.848 1.00 0.00 C ATOM 112 C CYS A 10 -3.296 -12.037 -2.194 1.00 0.00 C ATOM 113 O CYS A 10 -4.229 -12.415 -1.489 1.00 0.00 O ATOM 114 CB CYS A 10 -2.968 -14.451 -2.895 1.00 0.00 C ATOM 115 SG CYS A 10 -4.449 -14.604 -3.959 1.00 0.00 S ATOM 0 H CYS A 10 -1.110 -12.501 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.179 -12.767 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.211 -15.153 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.234 -14.750 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.121 -15.175 -5.080 1.00 0.00 H new ATOM 120 N TYR A 11 -3.017 -10.768 -2.453 1.00 0.00 N ATOM 121 CA TYR A 11 -3.827 -9.696 -1.898 1.00 0.00 C ATOM 122 C TYR A 11 -5.005 -9.367 -2.818 1.00 0.00 C ATOM 123 O TYR A 11 -5.282 -8.198 -3.083 1.00 0.00 O ATOM 124 CB TYR A 11 -2.909 -8.475 -1.809 1.00 0.00 C ATOM 125 CG TYR A 11 -1.524 -8.779 -1.233 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.371 -8.993 0.121 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.427 -8.841 -2.069 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.068 -9.279 0.664 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.876 -9.127 -1.527 1.00 0.00 C ATOM 130 CZ TYR A 11 0.991 -9.332 -0.187 1.00 0.00 C ATOM 131 OH TYR A 11 2.221 -9.602 0.324 1.00 0.00 O ATOM 0 H TYR A 11 -2.242 -10.458 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.233 -9.985 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.791 -8.048 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.390 -7.716 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.229 -8.946 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.546 -8.675 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.065 -9.447 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.742 -9.178 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 11 2.199 -10.462 0.794 1.00 0.00 H new ATOM 141 N SER A 12 -5.666 -10.418 -3.279 1.00 0.00 N ATOM 142 CA SER A 12 -6.807 -10.256 -4.163 1.00 0.00 C ATOM 143 C SER A 12 -7.484 -8.909 -3.903 1.00 0.00 C ATOM 144 O SER A 12 -7.427 -8.386 -2.791 1.00 0.00 O ATOM 145 CB SER A 12 -7.810 -11.397 -3.983 1.00 0.00 C ATOM 146 OG SER A 12 -8.993 -10.967 -3.315 1.00 0.00 O ATOM 0 H SER A 12 -5.433 -11.386 -3.057 1.00 0.00 H new ATOM 0 HA SER A 12 -6.448 -10.283 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.073 -11.806 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.345 -12.202 -3.414 1.00 0.00 H new ATOM 0 HG SER A 12 -9.609 -11.724 -3.221 1.00 0.00 H new ATOM 152 N SER A 13 -8.108 -8.384 -4.947 1.00 0.00 N ATOM 153 CA SER A 13 -8.795 -7.108 -4.845 1.00 0.00 C ATOM 154 C SER A 13 -9.503 -7.001 -3.493 1.00 0.00 C ATOM 155 O SER A 13 -9.786 -5.901 -3.021 1.00 0.00 O ATOM 156 CB SER A 13 -9.798 -6.928 -5.986 1.00 0.00 C ATOM 157 OG SER A 13 -10.930 -7.780 -5.838 1.00 0.00 O ATOM 0 H SER A 13 -8.152 -8.819 -5.868 1.00 0.00 H new ATOM 0 HA SER A 13 -8.053 -6.314 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.127 -5.889 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.308 -7.138 -6.937 1.00 0.00 H new ATOM 0 HG SER A 13 -11.548 -7.635 -6.584 1.00 0.00 H new ATOM 163 N SER A 14 -9.771 -8.160 -2.909 1.00 0.00 N ATOM 164 CA SER A 14 -10.442 -8.212 -1.621 1.00 0.00 C ATOM 165 C SER A 14 -9.429 -7.998 -0.494 1.00 0.00 C ATOM 166 O SER A 14 -9.789 -7.556 0.595 1.00 0.00 O ATOM 167 CB SER A 14 -11.171 -9.543 -1.432 1.00 0.00 C ATOM 168 OG SER A 14 -11.925 -9.572 -0.224 1.00 0.00 O ATOM 0 H SER A 14 -9.536 -9.070 -3.304 1.00 0.00 H new ATOM 0 HA SER A 14 -11.185 -7.415 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.836 -9.716 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.445 -10.356 -1.426 1.00 0.00 H new ATOM 0 HG SER A 14 -12.377 -10.438 -0.141 1.00 0.00 H new ATOM 174 N ASP A 15 -8.179 -8.323 -0.795 1.00 0.00 N ATOM 175 CA ASP A 15 -7.111 -8.172 0.179 1.00 0.00 C ATOM 176 C ASP A 15 -6.605 -6.728 0.154 1.00 0.00 C ATOM 177 O ASP A 15 -6.113 -6.222 1.161 1.00 0.00 O ATOM 178 CB ASP A 15 -5.934 -9.092 -0.148 1.00 0.00 C ATOM 179 CG ASP A 15 -5.887 -10.393 0.656 1.00 0.00 C ATOM 180 OD1 ASP A 15 -5.325 -10.351 1.771 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.414 -11.400 0.136 1.00 0.00 O ATOM 0 H ASP A 15 -7.883 -8.690 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.509 -8.431 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.970 -9.339 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.007 -8.545 0.021 1.00 0.00 H new ATOM 186 N VAL A 16 -6.742 -6.107 -1.008 1.00 0.00 N ATOM 187 CA VAL A 16 -6.304 -4.732 -1.176 1.00 0.00 C ATOM 188 C VAL A 16 -7.222 -3.806 -0.376 1.00 0.00 C ATOM 189 O VAL A 16 -6.796 -3.203 0.608 1.00 0.00 O ATOM 190 CB VAL A 16 -6.251 -4.378 -2.664 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.116 -2.867 -2.865 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.115 -5.128 -3.365 1.00 0.00 C ATOM 0 H VAL A 16 -7.150 -6.530 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.294 -4.604 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.191 -4.693 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.081 -2.644 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.972 -2.362 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.199 -2.517 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.099 -4.859 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.164 -4.858 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.273 -6.202 -3.266 1.00 0.00 H new ATOM 202 N SER A 17 -8.465 -3.723 -0.827 1.00 0.00 N ATOM 203 CA SER A 17 -9.447 -2.882 -0.164 1.00 0.00 C ATOM 204 C SER A 17 -9.293 -2.994 1.354 1.00 0.00 C ATOM 205 O SER A 17 -9.182 -1.982 2.046 1.00 0.00 O ATOM 206 CB SER A 17 -10.869 -3.261 -0.583 1.00 0.00 C ATOM 207 OG SER A 17 -11.808 -2.236 -0.272 1.00 0.00 O ATOM 0 H SER A 17 -8.815 -4.224 -1.644 1.00 0.00 H new ATOM 0 HA SER A 17 -9.272 -1.849 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.890 -3.459 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.161 -4.184 -0.082 1.00 0.00 H new ATOM 0 HG SER A 17 -12.703 -2.515 -0.556 1.00 0.00 H new ATOM 213 N THR A 18 -9.291 -4.231 1.827 1.00 0.00 N ATOM 214 CA THR A 18 -9.152 -4.487 3.250 1.00 0.00 C ATOM 215 C THR A 18 -8.029 -3.631 3.840 1.00 0.00 C ATOM 216 O THR A 18 -8.242 -2.901 4.806 1.00 0.00 O ATOM 217 CB THR A 18 -8.936 -5.990 3.441 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.251 -6.514 3.597 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.245 -6.319 4.766 1.00 0.00 C ATOM 0 H THR A 18 -9.383 -5.067 1.250 1.00 0.00 H new ATOM 0 HA THR A 18 -10.053 -4.202 3.793 1.00 0.00 H new ATOM 0 HB THR A 18 -8.340 -6.378 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.532 -6.947 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.116 -7.398 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.270 -5.833 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.856 -5.960 5.594 1.00 0.00 H new ATOM 227 N ALA A 19 -6.858 -3.751 3.232 1.00 0.00 N ATOM 228 CA ALA A 19 -5.700 -2.998 3.685 1.00 0.00 C ATOM 229 C ALA A 19 -6.014 -1.502 3.620 1.00 0.00 C ATOM 230 O ALA A 19 -5.699 -0.756 4.546 1.00 0.00 O ATOM 231 CB ALA A 19 -4.483 -3.375 2.840 1.00 0.00 C ATOM 0 H ALA A 19 -6.686 -4.358 2.430 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.465 -3.242 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.615 -2.810 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.285 -4.442 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.680 -3.142 1.794 1.00 0.00 H new ATOM 237 N GLN A 20 -6.630 -1.106 2.515 1.00 0.00 N ATOM 238 CA GLN A 20 -6.990 0.288 2.317 1.00 0.00 C ATOM 239 C GLN A 20 -7.814 0.797 3.500 1.00 0.00 C ATOM 240 O GLN A 20 -7.439 1.772 4.149 1.00 0.00 O ATOM 241 CB GLN A 20 -7.746 0.477 1.000 1.00 0.00 C ATOM 242 CG GLN A 20 -7.271 -0.527 -0.054 1.00 0.00 C ATOM 243 CD GLN A 20 -7.897 -0.227 -1.417 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.963 1.069 -1.709 1.00 0.00 O flip ATOM 245 NE2 GLN A 20 -8.294 -1.114 -2.156 1.00 0.00 N flip ATOM 0 H GLN A 20 -6.889 -1.726 1.748 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.073 0.875 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.816 0.353 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.597 1.493 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.184 -0.491 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.534 -1.538 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.213 -2.090 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.706 -0.879 -3.059 1.00 0.00 H new ATOM 254 N ALA A 21 -8.924 0.114 3.744 1.00 0.00 N ATOM 255 CA ALA A 21 -9.805 0.485 4.839 1.00 0.00 C ATOM 256 C ALA A 21 -8.970 1.045 5.993 1.00 0.00 C ATOM 257 O ALA A 21 -9.410 1.950 6.700 1.00 0.00 O ATOM 258 CB ALA A 21 -10.639 -0.728 5.257 1.00 0.00 C ATOM 0 H ALA A 21 -9.233 -0.693 3.203 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.499 1.265 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.300 -0.450 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.236 -1.068 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.977 -1.531 5.580 1.00 0.00 H new ATOM 264 N ALA A 22 -7.781 0.482 6.147 1.00 0.00 N ATOM 265 CA ALA A 22 -6.881 0.914 7.204 1.00 0.00 C ATOM 266 C ALA A 22 -6.075 2.121 6.719 1.00 0.00 C ATOM 267 O ALA A 22 -5.951 3.116 7.432 1.00 0.00 O ATOM 268 CB ALA A 22 -5.986 -0.255 7.621 1.00 0.00 C ATOM 0 H ALA A 22 -7.420 -0.269 5.559 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.443 1.225 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.311 0.068 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.605 -1.076 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.404 -0.591 6.763 1.00 0.00 H new ATOM 274 N GLY A 23 -5.546 1.993 5.511 1.00 0.00 N ATOM 275 CA GLY A 23 -4.754 3.061 4.924 1.00 0.00 C ATOM 276 C GLY A 23 -5.582 4.339 4.779 1.00 0.00 C ATOM 277 O GLY A 23 -5.107 5.430 5.093 1.00 0.00 O ATOM 0 H GLY A 23 -5.650 1.166 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.882 3.257 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.384 2.750 3.947 1.00 0.00 H new ATOM 281 N TYR A 24 -6.806 4.164 4.302 1.00 0.00 N ATOM 282 CA TYR A 24 -7.704 5.290 4.111 1.00 0.00 C ATOM 283 C TYR A 24 -8.246 5.792 5.452 1.00 0.00 C ATOM 284 O TYR A 24 -7.977 6.924 5.850 1.00 0.00 O ATOM 285 CB TYR A 24 -8.867 4.765 3.268 1.00 0.00 C ATOM 286 CG TYR A 24 -9.695 5.862 2.597 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.376 7.190 2.800 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.761 5.525 1.788 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.155 8.222 2.168 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.540 6.558 1.156 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.199 7.855 1.377 1.00 0.00 C ATOM 292 OH TYR A 24 -11.935 8.831 0.781 1.00 0.00 O ATOM 0 H TYR A 24 -7.197 3.258 4.042 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.183 6.119 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.474 4.100 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.521 4.167 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.542 7.454 3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.011 4.486 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.916 9.264 2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.377 6.308 0.521 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.515 9.086 -0.067 1.00 0.00 H new ATOM 302 N LYS A 25 -9.001 4.924 6.109 1.00 0.00 N ATOM 303 CA LYS A 25 -9.585 5.264 7.396 1.00 0.00 C ATOM 304 C LYS A 25 -8.578 6.083 8.207 1.00 0.00 C ATOM 305 O LYS A 25 -8.864 7.215 8.597 1.00 0.00 O ATOM 306 CB LYS A 25 -10.073 4.005 8.114 1.00 0.00 C ATOM 307 CG LYS A 25 -10.766 4.358 9.431 1.00 0.00 C ATOM 308 CD LYS A 25 -12.110 5.044 9.176 1.00 0.00 C ATOM 309 CE LYS A 25 -12.926 5.146 10.465 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.150 4.317 10.371 1.00 0.00 N ATOM 0 H LYS A 25 -9.222 3.986 5.775 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.469 5.887 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.763 3.460 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.229 3.343 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.921 3.453 10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.124 5.014 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.942 6.041 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.672 4.484 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.322 4.819 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.197 6.186 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.693 4.398 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.733 4.647 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.885 3.323 10.217 1.00 0.00 H new ATOM 324 N LEU A 26 -7.421 5.481 8.435 1.00 0.00 N ATOM 325 CA LEU A 26 -6.370 6.139 9.191 1.00 0.00 C ATOM 326 C LEU A 26 -5.956 7.423 8.470 1.00 0.00 C ATOM 327 O LEU A 26 -5.573 8.402 9.108 1.00 0.00 O ATOM 328 CB LEU A 26 -5.209 5.176 9.448 1.00 0.00 C ATOM 329 CG LEU A 26 -3.959 5.786 10.087 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.246 6.247 11.518 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.781 4.813 10.023 1.00 0.00 C ATOM 0 H LEU A 26 -7.188 4.543 8.109 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.735 6.430 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.566 4.372 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.923 4.722 8.499 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.677 6.670 9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.342 6.677 11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.035 6.998 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.565 5.395 12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.906 5.271 10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.036 3.898 10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.561 4.576 8.982 1.00 0.00 H new ATOM 343 N HIS A 27 -6.046 7.377 7.148 1.00 0.00 N ATOM 344 CA HIS A 27 -5.685 8.524 6.333 1.00 0.00 C ATOM 345 C HIS A 27 -6.726 9.630 6.514 1.00 0.00 C ATOM 346 O HIS A 27 -6.379 10.772 6.811 1.00 0.00 O ATOM 347 CB HIS A 27 -5.502 8.114 4.871 1.00 0.00 C ATOM 348 CG HIS A 27 -5.440 9.278 3.911 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.473 10.265 3.990 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.233 9.601 2.849 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.684 11.137 3.017 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.776 10.724 2.310 1.00 0.00 N ATOM 0 H HIS A 27 -6.364 6.563 6.622 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.724 8.921 6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.585 7.531 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.325 7.461 4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.088 9.038 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.095 12.020 2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.175 11.200 1.501 1.00 0.00 H new ATOM 361 N GLU A 28 -7.983 9.251 6.326 1.00 0.00 N ATOM 362 CA GLU A 28 -9.077 10.197 6.465 1.00 0.00 C ATOM 363 C GLU A 28 -9.009 10.892 7.826 1.00 0.00 C ATOM 364 O GLU A 28 -9.467 12.024 7.973 1.00 0.00 O ATOM 365 CB GLU A 28 -10.427 9.506 6.269 1.00 0.00 C ATOM 366 CG GLU A 28 -10.241 8.029 5.914 1.00 0.00 C ATOM 367 CD GLU A 28 -11.590 7.347 5.680 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.488 7.560 6.523 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.693 6.626 4.663 1.00 0.00 O ATOM 0 H GLU A 28 -8.267 8.303 6.079 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.977 10.954 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.020 9.593 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.984 10.007 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.625 7.941 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.708 7.522 6.719 1.00 0.00 H new ATOM 376 N ASP A 29 -8.435 10.184 8.788 1.00 0.00 N ATOM 377 CA ASP A 29 -8.301 10.719 10.133 1.00 0.00 C ATOM 378 C ASP A 29 -7.037 11.575 10.213 1.00 0.00 C ATOM 379 O ASP A 29 -6.859 12.340 11.160 1.00 0.00 O ATOM 380 CB ASP A 29 -8.178 9.594 11.163 1.00 0.00 C ATOM 381 CG ASP A 29 -9.451 8.775 11.383 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.533 9.311 11.062 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.313 7.630 11.865 1.00 0.00 O ATOM 0 H ASP A 29 -8.057 9.245 8.663 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.190 11.311 10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.381 8.920 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.873 10.026 12.116 1.00 0.00 H new ATOM 388 N GLY A 30 -6.188 11.418 9.208 1.00 0.00 N ATOM 389 CA GLY A 30 -4.945 12.167 9.153 1.00 0.00 C ATOM 390 C GLY A 30 -3.961 11.677 10.218 1.00 0.00 C ATOM 391 O GLY A 30 -3.068 12.415 10.630 1.00 0.00 O ATOM 0 H GLY A 30 -6.337 10.782 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.498 12.064 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.149 13.227 9.301 1.00 0.00 H new ATOM 395 N GLU A 31 -4.160 10.434 10.633 1.00 0.00 N ATOM 396 CA GLU A 31 -3.302 9.836 11.642 1.00 0.00 C ATOM 397 C GLU A 31 -2.382 8.792 11.007 1.00 0.00 C ATOM 398 O GLU A 31 -2.528 8.467 9.829 1.00 0.00 O ATOM 399 CB GLU A 31 -4.131 9.223 12.773 1.00 0.00 C ATOM 400 CG GLU A 31 -4.791 10.312 13.622 1.00 0.00 C ATOM 401 CD GLU A 31 -3.758 11.027 14.496 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.965 11.801 13.917 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.785 10.784 15.721 1.00 0.00 O ATOM 0 H GLU A 31 -4.902 9.825 10.289 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.682 10.621 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.896 8.569 12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.492 8.604 13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.286 11.034 12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.562 9.869 14.252 1.00 0.00 H new ATOM 410 N THR A 32 -1.458 8.295 11.814 1.00 0.00 N ATOM 411 CA THR A 32 -0.515 7.293 11.346 1.00 0.00 C ATOM 412 C THR A 32 -0.416 6.142 12.350 1.00 0.00 C ATOM 413 O THR A 32 -0.837 6.278 13.498 1.00 0.00 O ATOM 414 CB THR A 32 0.822 7.989 11.084 1.00 0.00 C ATOM 415 OG1 THR A 32 0.897 8.989 12.096 1.00 0.00 O ATOM 416 CG2 THR A 32 0.825 8.781 9.776 1.00 0.00 C ATOM 0 H THR A 32 -1.341 8.567 12.790 1.00 0.00 H new ATOM 0 HA THR A 32 -0.850 6.839 10.413 1.00 0.00 H new ATOM 0 HB THR A 32 1.619 7.245 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.735 9.488 12.001 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.797 9.254 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.629 8.107 8.942 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.050 9.547 9.813 1.00 0.00 H new ATOM 424 N VAL A 33 0.143 5.037 11.880 1.00 0.00 N ATOM 425 CA VAL A 33 0.303 3.864 12.722 1.00 0.00 C ATOM 426 C VAL A 33 1.578 4.009 13.555 1.00 0.00 C ATOM 427 O VAL A 33 2.664 4.188 13.007 1.00 0.00 O ATOM 428 CB VAL A 33 0.290 2.598 11.864 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.135 2.238 11.437 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.205 2.751 10.646 1.00 0.00 C ATOM 0 H VAL A 33 0.491 4.929 10.927 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.531 3.777 13.418 1.00 0.00 H new ATOM 0 HB VAL A 33 0.674 1.779 12.472 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.115 1.334 10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.748 2.066 12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.559 3.057 10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.177 1.837 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.864 3.589 10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.226 2.937 10.979 1.00 0.00 H new ATOM 440 N GLY A 34 1.404 3.925 14.866 1.00 0.00 N ATOM 441 CA GLY A 34 2.527 4.044 15.779 1.00 0.00 C ATOM 442 C GLY A 34 3.781 3.394 15.195 1.00 0.00 C ATOM 443 O GLY A 34 3.887 2.169 15.153 1.00 0.00 O ATOM 0 H GLY A 34 0.502 3.776 15.317 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.722 5.096 15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.278 3.573 16.730 1.00 0.00 H new ATOM 447 N SER A 35 4.700 4.242 14.756 1.00 0.00 N ATOM 448 CA SER A 35 5.944 3.764 14.175 1.00 0.00 C ATOM 449 C SER A 35 6.481 4.788 13.174 1.00 0.00 C ATOM 450 O SER A 35 7.544 5.370 13.384 1.00 0.00 O ATOM 451 CB SER A 35 5.748 2.409 13.494 1.00 0.00 C ATOM 452 OG SER A 35 6.882 1.561 13.654 1.00 0.00 O ATOM 0 H SER A 35 4.608 5.257 14.791 1.00 0.00 H new ATOM 0 HA SER A 35 6.670 3.635 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.868 1.919 13.909 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.557 2.562 12.432 1.00 0.00 H new ATOM 0 HG SER A 35 6.597 0.624 13.622 1.00 0.00 H new ATOM 458 N ASN A 36 5.720 4.978 12.105 1.00 0.00 N ATOM 459 CA ASN A 36 6.107 5.923 11.071 1.00 0.00 C ATOM 460 C ASN A 36 4.958 6.904 10.827 1.00 0.00 C ATOM 461 O ASN A 36 4.114 7.105 11.699 1.00 0.00 O ATOM 462 CB ASN A 36 6.401 5.205 9.751 1.00 0.00 C ATOM 463 CG ASN A 36 7.909 5.095 9.513 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.723 5.591 10.274 1.00 0.00 O ATOM 465 ND2 ASN A 36 8.234 4.418 8.415 1.00 0.00 N ATOM 0 H ASN A 36 4.839 4.494 11.933 1.00 0.00 H new ATOM 0 HA ASN A 36 7.004 6.443 11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.958 4.209 9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.937 5.747 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.215 4.289 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.502 4.028 7.821 1.00 0.00 H new ATOM 472 N SER A 37 4.965 7.491 9.639 1.00 0.00 N ATOM 473 CA SER A 37 3.934 8.446 9.270 1.00 0.00 C ATOM 474 C SER A 37 3.014 7.841 8.209 1.00 0.00 C ATOM 475 O SER A 37 2.579 8.534 7.290 1.00 0.00 O ATOM 476 CB SER A 37 4.549 9.750 8.760 1.00 0.00 C ATOM 477 OG SER A 37 5.066 9.615 7.438 1.00 0.00 O ATOM 0 H SER A 37 5.668 7.324 8.920 1.00 0.00 H new ATOM 0 HA SER A 37 3.347 8.676 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.795 10.537 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.349 10.061 9.432 1.00 0.00 H new ATOM 0 HG SER A 37 5.448 10.469 7.148 1.00 0.00 H new ATOM 483 N TYR A 38 2.746 6.553 8.368 1.00 0.00 N ATOM 484 CA TYR A 38 1.887 5.847 7.433 1.00 0.00 C ATOM 485 C TYR A 38 0.439 5.825 7.929 1.00 0.00 C ATOM 486 O TYR A 38 0.193 5.759 9.132 1.00 0.00 O ATOM 487 CB TYR A 38 2.415 4.412 7.377 1.00 0.00 C ATOM 488 CG TYR A 38 3.838 4.294 6.825 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.775 5.263 7.122 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.184 3.218 6.033 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.113 5.152 6.604 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.524 3.107 5.516 1.00 0.00 C ATOM 493 CZ TYR A 38 6.422 4.079 5.828 1.00 0.00 C ATOM 494 OH TYR A 38 7.687 3.975 5.338 1.00 0.00 O ATOM 0 H TYR A 38 3.109 5.980 9.130 1.00 0.00 H new ATOM 0 HA TYR A 38 1.897 6.335 6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.389 3.987 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.746 3.813 6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.504 6.104 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.451 2.460 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.855 5.904 6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.809 2.271 4.895 1.00 0.00 H new ATOM 0 HH TYR A 38 7.764 3.158 4.802 1.00 0.00 H new ATOM 504 N PRO A 39 -0.504 5.884 6.951 1.00 0.00 N ATOM 505 CA PRO A 39 -0.125 5.960 5.550 1.00 0.00 C ATOM 506 C PRO A 39 0.380 7.360 5.195 1.00 0.00 C ATOM 507 O PRO A 39 0.597 8.188 6.077 1.00 0.00 O ATOM 508 CB PRO A 39 -1.377 5.568 4.783 1.00 0.00 C ATOM 509 CG PRO A 39 -2.534 5.738 5.755 1.00 0.00 C ATOM 510 CD PRO A 39 -1.950 5.879 7.152 1.00 0.00 C ATOM 0 HA PRO A 39 0.703 5.296 5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.510 6.199 3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.312 4.539 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.124 6.618 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.204 4.879 5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.286 6.799 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.258 5.054 7.795 1.00 0.00 H new ATOM 518 N HIS A 40 0.552 7.581 3.899 1.00 0.00 N ATOM 519 CA HIS A 40 1.028 8.866 3.416 1.00 0.00 C ATOM 520 C HIS A 40 1.150 8.827 1.891 1.00 0.00 C ATOM 521 O HIS A 40 1.065 7.760 1.284 1.00 0.00 O ATOM 522 CB HIS A 40 2.337 9.254 4.106 1.00 0.00 C ATOM 523 CG HIS A 40 3.515 8.390 3.721 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.141 8.483 2.490 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.172 7.418 4.416 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.130 7.601 2.458 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.147 6.942 3.652 1.00 0.00 N ATOM 0 H HIS A 40 0.370 6.892 3.169 1.00 0.00 H new ATOM 0 HA HIS A 40 0.307 9.644 3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.568 10.292 3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.197 9.199 5.186 1.00 0.00 H new ATOM 0 HD1 HIS A 40 3.885 9.121 1.736 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.938 7.091 5.418 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.804 7.434 1.631 1.00 0.00 H new ATOM 536 N LYS A 41 1.346 10.005 1.315 1.00 0.00 N ATOM 537 CA LYS A 41 1.480 10.119 -0.126 1.00 0.00 C ATOM 538 C LYS A 41 2.547 9.138 -0.615 1.00 0.00 C ATOM 539 O LYS A 41 3.393 8.697 0.163 1.00 0.00 O ATOM 540 CB LYS A 41 1.750 11.572 -0.526 1.00 0.00 C ATOM 541 CG LYS A 41 1.791 11.723 -2.048 1.00 0.00 C ATOM 542 CD LYS A 41 0.398 11.541 -2.654 1.00 0.00 C ATOM 543 CE LYS A 41 -0.240 12.894 -2.978 1.00 0.00 C ATOM 544 NZ LYS A 41 0.430 13.518 -4.142 1.00 0.00 N ATOM 0 H LYS A 41 1.415 10.888 1.821 1.00 0.00 H new ATOM 0 HA LYS A 41 0.547 9.845 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.974 12.217 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.697 11.901 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.179 12.707 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.475 10.988 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.468 10.941 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.237 10.993 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.301 12.761 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.168 13.553 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.267 14.055 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.177 14.160 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.850 12.777 -4.739 1.00 0.00 H new ATOM 558 N TYR A 42 2.475 8.826 -1.900 1.00 0.00 N ATOM 559 CA TYR A 42 3.424 7.905 -2.502 1.00 0.00 C ATOM 560 C TYR A 42 3.620 8.211 -3.988 1.00 0.00 C ATOM 561 O TYR A 42 4.712 8.593 -4.408 1.00 0.00 O ATOM 562 CB TYR A 42 2.810 6.511 -2.357 1.00 0.00 C ATOM 563 CG TYR A 42 3.548 5.421 -3.138 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.284 5.235 -4.480 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.477 4.625 -2.500 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.980 4.210 -5.214 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.172 3.600 -3.235 1.00 0.00 C ATOM 568 CZ TYR A 42 4.889 3.443 -4.555 1.00 0.00 C ATOM 569 OH TYR A 42 5.545 2.474 -5.249 1.00 0.00 O ATOM 0 H TYR A 42 1.773 9.195 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 42 4.397 7.986 -2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.795 6.240 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.773 6.545 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.556 5.858 -4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.683 4.771 -1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.784 4.054 -6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.902 2.970 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 42 5.808 2.822 -6.127 1.00 0.00 H new ATOM 579 N ASN A 43 2.546 8.032 -4.742 1.00 0.00 N ATOM 580 CA ASN A 43 2.586 8.285 -6.172 1.00 0.00 C ATOM 581 C ASN A 43 3.182 7.069 -6.885 1.00 0.00 C ATOM 582 O ASN A 43 2.490 6.079 -7.114 1.00 0.00 O ATOM 583 CB ASN A 43 3.462 9.497 -6.493 1.00 0.00 C ATOM 584 CG ASN A 43 2.626 10.777 -6.559 1.00 0.00 C ATOM 585 OD1 ASN A 43 1.611 10.804 -5.699 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 2.884 11.680 -7.337 1.00 0.00 N flip ATOM 0 H ASN A 43 1.643 7.715 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 43 1.567 8.477 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.235 9.603 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.970 9.341 -7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.678 11.595 -7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.305 12.520 -7.354 1.00 0.00 H new ATOM 593 N ASN A 44 4.461 7.184 -7.215 1.00 0.00 N ATOM 594 CA ASN A 44 5.157 6.107 -7.896 1.00 0.00 C ATOM 595 C ASN A 44 6.254 6.697 -8.785 1.00 0.00 C ATOM 596 O ASN A 44 6.368 7.915 -8.909 1.00 0.00 O ATOM 597 CB ASN A 44 4.203 5.311 -8.788 1.00 0.00 C ATOM 598 CG ASN A 44 3.844 6.100 -10.049 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.948 6.927 -10.061 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.592 5.798 -11.107 1.00 0.00 N ATOM 0 H ASN A 44 5.032 8.007 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 44 5.578 5.446 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.665 4.364 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.295 5.072 -8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.431 6.270 -11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.327 5.095 -11.028 1.00 0.00 H new ATOM 607 N TYR A 45 7.032 5.805 -9.381 1.00 0.00 N ATOM 608 CA TYR A 45 8.115 6.222 -10.254 1.00 0.00 C ATOM 609 C TYR A 45 8.885 5.012 -10.788 1.00 0.00 C ATOM 610 O TYR A 45 9.149 4.919 -11.986 1.00 0.00 O ATOM 611 CB TYR A 45 9.052 7.067 -9.390 1.00 0.00 C ATOM 612 CG TYR A 45 8.817 8.575 -9.509 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.819 9.054 -10.331 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.605 9.453 -8.794 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.598 10.473 -10.444 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.384 10.872 -8.905 1.00 0.00 C ATOM 617 CZ TYR A 45 8.391 11.312 -9.725 1.00 0.00 C ATOM 618 OH TYR A 45 8.183 12.652 -9.830 1.00 0.00 O ATOM 0 H TYR A 45 6.933 4.795 -9.276 1.00 0.00 H new ATOM 0 HA TYR A 45 7.727 6.773 -11.111 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.933 6.772 -8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.083 6.847 -9.668 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.203 8.365 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.387 9.077 -8.151 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.820 10.862 -11.085 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.992 11.571 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 45 8.822 13.128 -9.260 1.00 0.00 H new ATOM 628 N GLU A 46 9.225 4.116 -9.873 1.00 0.00 N ATOM 629 CA GLU A 46 9.960 2.916 -10.236 1.00 0.00 C ATOM 630 C GLU A 46 9.343 2.273 -11.480 1.00 0.00 C ATOM 631 O GLU A 46 9.973 1.439 -12.129 1.00 0.00 O ATOM 632 CB GLU A 46 10.003 1.926 -9.071 1.00 0.00 C ATOM 633 CG GLU A 46 10.670 2.552 -7.844 1.00 0.00 C ATOM 634 CD GLU A 46 10.919 1.501 -6.761 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.683 0.555 -7.052 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.340 1.667 -5.665 1.00 0.00 O ATOM 0 H GLU A 46 9.005 4.197 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 46 10.987 3.198 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.990 1.612 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.549 1.031 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.615 3.012 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.038 3.346 -7.447 1.00 0.00 H new ATOM 643 N GLY A 47 8.119 2.685 -11.776 1.00 0.00 N ATOM 644 CA GLY A 47 7.411 2.159 -12.931 1.00 0.00 C ATOM 645 C GLY A 47 6.256 1.254 -12.499 1.00 0.00 C ATOM 646 O GLY A 47 6.166 0.106 -12.935 1.00 0.00 O ATOM 0 H GLY A 47 7.599 3.377 -11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.027 2.983 -13.533 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.101 1.598 -13.561 1.00 0.00 H new ATOM 650 N PHE A 48 5.400 1.803 -11.649 1.00 0.00 N ATOM 651 CA PHE A 48 4.255 1.059 -11.154 1.00 0.00 C ATOM 652 C PHE A 48 3.012 1.339 -12.001 1.00 0.00 C ATOM 653 O PHE A 48 2.731 2.488 -12.337 1.00 0.00 O ATOM 654 CB PHE A 48 3.999 1.532 -9.722 1.00 0.00 C ATOM 655 CG PHE A 48 5.117 1.175 -8.740 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.116 -0.035 -8.120 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.110 2.069 -8.488 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.154 -0.365 -7.208 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.147 1.739 -7.575 1.00 0.00 C ATOM 660 CZ PHE A 48 7.147 0.528 -6.956 1.00 0.00 C ATOM 0 H PHE A 48 5.477 2.755 -11.291 1.00 0.00 H new ATOM 0 HA PHE A 48 4.459 -0.011 -11.198 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.864 2.614 -9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.065 1.096 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.327 -0.745 -8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.110 3.030 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.154 -1.326 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.935 2.449 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.937 0.276 -6.264 1.00 0.00 H new ATOM 670 N ASP A 49 2.300 0.268 -12.324 1.00 0.00 N ATOM 671 CA ASP A 49 1.094 0.384 -13.125 1.00 0.00 C ATOM 672 C ASP A 49 -0.130 0.307 -12.210 1.00 0.00 C ATOM 673 O ASP A 49 -0.983 -0.562 -12.382 1.00 0.00 O ATOM 674 CB ASP A 49 0.998 -0.754 -14.142 1.00 0.00 C ATOM 675 CG ASP A 49 2.340 -1.299 -14.633 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.216 -0.460 -14.934 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.459 -2.541 -14.697 1.00 0.00 O ATOM 0 H ASP A 49 2.536 -0.684 -12.045 1.00 0.00 H new ATOM 0 HA ASP A 49 1.129 1.337 -13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.432 -1.572 -13.696 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.428 -0.404 -15.003 1.00 0.00 H new ATOM 682 N PHE A 50 -0.177 1.227 -11.258 1.00 0.00 N ATOM 683 CA PHE A 50 -1.283 1.274 -10.317 1.00 0.00 C ATOM 684 C PHE A 50 -2.621 1.392 -11.048 1.00 0.00 C ATOM 685 O PHE A 50 -2.932 2.436 -11.618 1.00 0.00 O ATOM 686 CB PHE A 50 -1.079 2.517 -9.449 1.00 0.00 C ATOM 687 CG PHE A 50 0.119 2.425 -8.502 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.806 1.258 -8.387 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.497 3.511 -7.776 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.919 1.173 -7.507 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.609 3.427 -6.896 1.00 0.00 C ATOM 692 CZ PHE A 50 2.297 2.259 -6.781 1.00 0.00 C ATOM 0 H PHE A 50 0.533 1.946 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.304 0.361 -9.722 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.951 3.383 -10.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.981 2.689 -8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.506 0.396 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.049 4.438 -7.869 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.465 0.246 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.908 4.290 -6.319 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.143 2.194 -6.113 1.00 0.00 H new ATOM 702 N SER A 51 -3.378 0.305 -11.007 1.00 0.00 N ATOM 703 CA SER A 51 -4.677 0.273 -11.659 1.00 0.00 C ATOM 704 C SER A 51 -5.591 1.340 -11.057 1.00 0.00 C ATOM 705 O SER A 51 -6.742 1.481 -11.468 1.00 0.00 O ATOM 706 CB SER A 51 -5.321 -1.110 -11.534 1.00 0.00 C ATOM 707 OG SER A 51 -5.598 -1.450 -10.179 1.00 0.00 O ATOM 0 H SER A 51 -3.117 -0.560 -10.533 1.00 0.00 H new ATOM 0 HA SER A 51 -4.533 0.483 -12.719 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.246 -1.132 -12.110 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.658 -1.859 -11.967 1.00 0.00 H new ATOM 0 HG SER A 51 -6.010 -2.339 -10.142 1.00 0.00 H new ATOM 713 N VAL A 52 -5.045 2.066 -10.091 1.00 0.00 N ATOM 714 CA VAL A 52 -5.798 3.116 -9.427 1.00 0.00 C ATOM 715 C VAL A 52 -5.200 4.476 -9.795 1.00 0.00 C ATOM 716 O VAL A 52 -4.007 4.578 -10.076 1.00 0.00 O ATOM 717 CB VAL A 52 -5.830 2.866 -7.918 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.384 1.474 -7.606 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.442 3.054 -7.303 1.00 0.00 C ATOM 0 H VAL A 52 -4.090 1.947 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.835 3.113 -9.764 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.498 3.601 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.396 1.321 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.398 1.390 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.752 0.718 -8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.492 2.871 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.744 2.352 -7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.100 4.073 -7.481 1.00 0.00 H new ATOM 729 N SER A 53 -6.057 5.487 -9.782 1.00 0.00 N ATOM 730 CA SER A 53 -5.628 6.835 -10.110 1.00 0.00 C ATOM 731 C SER A 53 -5.125 7.546 -8.852 1.00 0.00 C ATOM 732 O SER A 53 -5.185 6.991 -7.756 1.00 0.00 O ATOM 733 CB SER A 53 -6.764 7.634 -10.753 1.00 0.00 C ATOM 734 OG SER A 53 -7.231 7.025 -11.954 1.00 0.00 O ATOM 0 H SER A 53 -7.046 5.399 -9.549 1.00 0.00 H new ATOM 0 HA SER A 53 -4.814 6.768 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.590 7.723 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.419 8.645 -10.969 1.00 0.00 H new ATOM 0 HG SER A 53 -7.957 7.564 -12.333 1.00 0.00 H new ATOM 740 N SER A 54 -4.641 8.763 -9.051 1.00 0.00 N ATOM 741 CA SER A 54 -4.129 9.555 -7.946 1.00 0.00 C ATOM 742 C SER A 54 -5.290 10.156 -7.150 1.00 0.00 C ATOM 743 O SER A 54 -6.416 10.223 -7.642 1.00 0.00 O ATOM 744 CB SER A 54 -3.200 10.663 -8.447 1.00 0.00 C ATOM 745 OG SER A 54 -3.795 11.429 -9.490 1.00 0.00 O ATOM 0 H SER A 54 -4.593 9.220 -9.962 1.00 0.00 H new ATOM 0 HA SER A 54 -3.551 8.899 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.940 11.321 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.271 10.221 -8.807 1.00 0.00 H new ATOM 0 HG SER A 54 -3.171 12.126 -9.781 1.00 0.00 H new ATOM 751 N PRO A 55 -4.968 10.588 -5.902 1.00 0.00 N ATOM 752 CA PRO A 55 -3.611 10.471 -5.396 1.00 0.00 C ATOM 753 C PRO A 55 -3.291 9.024 -5.016 1.00 0.00 C ATOM 754 O PRO A 55 -4.168 8.162 -5.044 1.00 0.00 O ATOM 755 CB PRO A 55 -3.549 11.424 -4.213 1.00 0.00 C ATOM 756 CG PRO A 55 -4.991 11.689 -3.814 1.00 0.00 C ATOM 757 CD PRO A 55 -5.885 11.198 -4.942 1.00 0.00 C ATOM 0 HA PRO A 55 -2.860 10.733 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.990 10.985 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.042 12.350 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.231 11.173 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.149 12.753 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.618 10.477 -4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.441 12.020 -5.393 1.00 0.00 H new ATOM 765 N TYR A 56 -2.032 8.802 -4.667 1.00 0.00 N ATOM 766 CA TYR A 56 -1.585 7.474 -4.281 1.00 0.00 C ATOM 767 C TYR A 56 -1.045 7.472 -2.850 1.00 0.00 C ATOM 768 O TYR A 56 -0.021 8.092 -2.568 1.00 0.00 O ATOM 769 CB TYR A 56 -0.451 7.116 -5.242 1.00 0.00 C ATOM 770 CG TYR A 56 -0.918 6.773 -6.658 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.214 6.347 -6.873 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.045 6.892 -7.721 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.653 6.025 -8.205 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.486 6.570 -9.053 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.769 6.153 -9.230 1.00 0.00 C ATOM 776 OH TYR A 56 -2.185 5.849 -10.489 1.00 0.00 O ATOM 0 H TYR A 56 -1.307 9.519 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.410 6.763 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.245 7.953 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.100 6.267 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.898 6.256 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.968 7.226 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.663 5.689 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.187 6.658 -9.893 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.102 5.504 -10.456 1.00 0.00 H new ATOM 786 N TYR A 57 -1.759 6.768 -1.983 1.00 0.00 N ATOM 787 CA TYR A 57 -1.364 6.677 -0.588 1.00 0.00 C ATOM 788 C TYR A 57 -0.702 5.330 -0.292 1.00 0.00 C ATOM 789 O TYR A 57 -1.313 4.279 -0.483 1.00 0.00 O ATOM 790 CB TYR A 57 -2.656 6.786 0.224 1.00 0.00 C ATOM 791 CG TYR A 57 -3.392 8.115 0.047 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.731 9.205 -0.481 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.719 8.225 0.416 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.424 10.457 -0.646 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.411 9.476 0.250 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.729 10.531 -0.273 1.00 0.00 C ATOM 797 OH TYR A 57 -5.383 11.712 -0.430 1.00 0.00 O ATOM 0 H TYR A 57 -2.608 6.256 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.647 7.460 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.323 5.972 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.422 6.650 1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.694 9.119 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.237 7.372 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.918 11.318 -1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.448 9.575 0.534 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.865 12.297 -1.022 1.00 0.00 H new ATOM 807 N GLU A 58 0.537 5.405 0.170 1.00 0.00 N ATOM 808 CA GLU A 58 1.289 4.205 0.493 1.00 0.00 C ATOM 809 C GLU A 58 0.871 3.671 1.865 1.00 0.00 C ATOM 810 O GLU A 58 0.646 4.444 2.794 1.00 0.00 O ATOM 811 CB GLU A 58 2.795 4.470 0.444 1.00 0.00 C ATOM 812 CG GLU A 58 3.206 5.492 1.506 1.00 0.00 C ATOM 813 CD GLU A 58 3.126 4.886 2.909 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.655 3.767 3.076 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.535 5.558 3.783 1.00 0.00 O ATOM 0 H GLU A 58 1.039 6.279 0.328 1.00 0.00 H new ATOM 0 HA GLU A 58 1.063 3.446 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.337 3.538 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.072 4.836 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.222 5.835 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.557 6.366 1.446 1.00 0.00 H new ATOM 822 N TRP A 59 0.781 2.351 1.948 1.00 0.00 N ATOM 823 CA TRP A 59 0.393 1.705 3.191 1.00 0.00 C ATOM 824 C TRP A 59 0.788 0.229 3.100 1.00 0.00 C ATOM 825 O TRP A 59 0.718 -0.370 2.028 1.00 0.00 O ATOM 826 CB TRP A 59 -1.096 1.909 3.474 1.00 0.00 C ATOM 827 CG TRP A 59 -1.647 1.014 4.587 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.332 -0.132 4.461 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.529 1.237 6.007 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.663 -0.659 5.693 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.159 0.200 6.663 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.910 2.283 6.715 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.232 0.105 8.057 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.992 2.173 8.109 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.623 1.135 8.784 1.00 0.00 C ATOM 0 H TRP A 59 0.970 1.712 1.176 1.00 0.00 H new ATOM 0 HA TRP A 59 0.913 2.153 4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.265 2.952 3.743 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.658 1.721 2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.592 -0.585 3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.182 -1.521 5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.411 3.105 6.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.731 -0.718 8.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.532 2.950 8.701 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.644 1.123 9.864 1.00 0.00 H new ATOM 846 N PRO A 60 1.204 -0.328 4.268 1.00 0.00 N ATOM 847 CA PRO A 60 1.611 -1.722 4.329 1.00 0.00 C ATOM 848 C PRO A 60 0.395 -2.649 4.280 1.00 0.00 C ATOM 849 O PRO A 60 -0.656 -2.331 4.833 1.00 0.00 O ATOM 850 CB PRO A 60 2.400 -1.845 5.622 1.00 0.00 C ATOM 851 CG PRO A 60 2.015 -0.638 6.463 1.00 0.00 C ATOM 852 CD PRO A 60 1.300 0.352 5.557 1.00 0.00 C ATOM 0 HA PRO A 60 2.221 -2.021 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.160 -2.774 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.472 -1.858 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.368 -0.938 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.901 -0.181 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.314 0.604 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.857 1.285 5.472 1.00 0.00 H new ATOM 860 N ILE A 61 0.579 -3.779 3.613 1.00 0.00 N ATOM 861 CA ILE A 61 -0.489 -4.756 3.484 1.00 0.00 C ATOM 862 C ILE A 61 -0.137 -6.001 4.301 1.00 0.00 C ATOM 863 O ILE A 61 0.829 -6.696 3.993 1.00 0.00 O ATOM 864 CB ILE A 61 -0.773 -5.047 2.009 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.181 -5.619 1.825 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.300 -5.961 1.414 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.454 -5.938 0.354 1.00 0.00 C ATOM 0 H ILE A 61 1.453 -4.040 3.156 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.419 -4.360 3.891 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.733 -4.106 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.291 -6.523 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.919 -4.904 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.074 -6.152 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.274 -5.478 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.317 -6.905 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.461 -6.343 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.366 -5.027 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.730 -6.672 0.000 1.00 0.00 H new ATOM 879 N LEU A 62 -0.941 -6.243 5.326 1.00 0.00 N ATOM 880 CA LEU A 62 -0.727 -7.392 6.189 1.00 0.00 C ATOM 881 C LEU A 62 -1.414 -8.616 5.581 1.00 0.00 C ATOM 882 O LEU A 62 -2.629 -8.618 5.387 1.00 0.00 O ATOM 883 CB LEU A 62 -1.177 -7.080 7.618 1.00 0.00 C ATOM 884 CG LEU A 62 -0.431 -5.946 8.323 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.014 -5.688 9.714 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.072 -6.226 8.375 1.00 0.00 C ATOM 0 H LEU A 62 -1.741 -5.663 5.578 1.00 0.00 H new ATOM 0 HA LEU A 62 0.336 -7.624 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.238 -6.833 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.072 -7.985 8.217 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.568 -5.034 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.466 -4.877 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.064 -5.411 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.928 -6.591 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.578 -5.404 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.251 -7.153 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.460 -6.321 7.361 1.00 0.00 H new ATOM 898 N SER A 63 -0.608 -9.629 5.299 1.00 0.00 N ATOM 899 CA SER A 63 -1.124 -10.856 4.716 1.00 0.00 C ATOM 900 C SER A 63 -2.225 -11.435 5.606 1.00 0.00 C ATOM 901 O SER A 63 -2.977 -12.310 5.180 1.00 0.00 O ATOM 902 CB SER A 63 -0.007 -11.884 4.519 1.00 0.00 C ATOM 903 OG SER A 63 1.175 -11.291 3.988 1.00 0.00 O ATOM 0 H SER A 63 0.399 -9.625 5.463 1.00 0.00 H new ATOM 0 HA SER A 63 -1.542 -10.620 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.222 -12.358 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.352 -12.670 3.847 1.00 0.00 H new ATOM 0 HG SER A 63 1.865 -11.978 3.878 1.00 0.00 H new ATOM 909 N SER A 64 -2.287 -10.922 6.827 1.00 0.00 N ATOM 910 CA SER A 64 -3.284 -11.376 7.780 1.00 0.00 C ATOM 911 C SER A 64 -4.576 -10.577 7.607 1.00 0.00 C ATOM 912 O SER A 64 -5.614 -10.938 8.160 1.00 0.00 O ATOM 913 CB SER A 64 -2.771 -11.251 9.217 1.00 0.00 C ATOM 914 OG SER A 64 -2.102 -12.432 9.650 1.00 0.00 O ATOM 0 H SER A 64 -1.662 -10.196 7.177 1.00 0.00 H new ATOM 0 HA SER A 64 -3.487 -12.429 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.090 -10.403 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.608 -11.043 9.884 1.00 0.00 H new ATOM 0 HG SER A 64 -1.788 -12.311 10.571 1.00 0.00 H new ATOM 920 N GLY A 65 -4.472 -9.503 6.837 1.00 0.00 N ATOM 921 CA GLY A 65 -5.620 -8.650 6.584 1.00 0.00 C ATOM 922 C GLY A 65 -5.921 -7.762 7.793 1.00 0.00 C ATOM 923 O GLY A 65 -7.082 -7.501 8.103 1.00 0.00 O ATOM 0 H GLY A 65 -3.610 -9.205 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.429 -8.028 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.490 -9.265 6.354 1.00 0.00 H new ATOM 927 N ASP A 66 -4.854 -7.323 8.445 1.00 0.00 N ATOM 928 CA ASP A 66 -4.989 -6.470 9.613 1.00 0.00 C ATOM 929 C ASP A 66 -4.481 -5.067 9.277 1.00 0.00 C ATOM 930 O ASP A 66 -4.167 -4.776 8.125 1.00 0.00 O ATOM 931 CB ASP A 66 -4.161 -7.005 10.784 1.00 0.00 C ATOM 932 CG ASP A 66 -4.726 -8.257 11.458 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.862 -8.161 11.970 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.010 -9.281 11.444 1.00 0.00 O ATOM 0 H ASP A 66 -3.892 -7.542 8.186 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.042 -6.449 9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.155 -7.226 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.068 -6.218 11.533 1.00 0.00 H new ATOM 939 N VAL A 67 -4.415 -4.233 10.305 1.00 0.00 N ATOM 940 CA VAL A 67 -3.950 -2.868 10.133 1.00 0.00 C ATOM 941 C VAL A 67 -2.564 -2.722 10.765 1.00 0.00 C ATOM 942 O VAL A 67 -2.419 -2.827 11.981 1.00 0.00 O ATOM 943 CB VAL A 67 -4.976 -1.890 10.711 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.410 -0.469 10.762 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.282 -1.932 9.914 1.00 0.00 C ATOM 0 H VAL A 67 -4.676 -4.477 11.260 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.851 -2.629 9.074 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.197 -2.200 11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.159 0.206 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.520 -0.454 11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.148 -0.145 9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.994 -1.228 10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.085 -1.659 8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.699 -2.938 9.951 1.00 0.00 H new ATOM 955 N TYR A 68 -1.582 -2.482 9.909 1.00 0.00 N ATOM 956 CA TYR A 68 -0.213 -2.319 10.368 1.00 0.00 C ATOM 957 C TYR A 68 -0.161 -1.510 11.666 1.00 0.00 C ATOM 958 O TYR A 68 -1.152 -0.896 12.057 1.00 0.00 O ATOM 959 CB TYR A 68 0.512 -1.542 9.267 1.00 0.00 C ATOM 960 CG TYR A 68 2.018 -1.400 9.495 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.740 -2.455 10.013 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.654 -0.216 9.181 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.159 -2.321 10.227 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.072 -0.081 9.395 1.00 0.00 C ATOM 965 CZ TYR A 68 4.755 -1.141 9.908 1.00 0.00 C ATOM 966 OH TYR A 68 6.093 -1.014 10.110 1.00 0.00 O ATOM 0 H TYR A 68 -1.707 -2.396 8.900 1.00 0.00 H new ATOM 0 HA TYR A 68 0.243 -3.289 10.565 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.345 -2.042 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.072 -0.548 9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.242 -3.381 10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.088 0.609 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.736 -3.139 10.632 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.582 0.840 9.154 1.00 0.00 H new ATOM 0 HH TYR A 68 6.277 -0.980 11.072 1.00 0.00 H new ATOM 976 N SER A 69 1.004 -1.537 12.296 1.00 0.00 N ATOM 977 CA SER A 69 1.198 -0.813 13.541 1.00 0.00 C ATOM 978 C SER A 69 2.025 0.449 13.289 1.00 0.00 C ATOM 979 O SER A 69 1.900 1.433 14.017 1.00 0.00 O ATOM 980 CB SER A 69 1.880 -1.694 14.589 1.00 0.00 C ATOM 981 OG SER A 69 3.246 -1.941 14.271 1.00 0.00 O ATOM 0 H SER A 69 1.823 -2.049 11.968 1.00 0.00 H new ATOM 0 HA SER A 69 0.219 -0.527 13.927 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.816 -1.212 15.565 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.349 -2.643 14.667 1.00 0.00 H new ATOM 0 HG SER A 69 3.647 -2.505 14.965 1.00 0.00 H new ATOM 987 N GLY A 70 2.851 0.381 12.255 1.00 0.00 N ATOM 988 CA GLY A 70 3.697 1.507 11.898 1.00 0.00 C ATOM 989 C GLY A 70 5.164 1.081 11.803 1.00 0.00 C ATOM 990 O GLY A 70 5.553 0.054 12.357 1.00 0.00 O ATOM 0 H GLY A 70 2.952 -0.436 11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.373 1.922 10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.591 2.297 12.642 1.00 0.00 H new ATOM 994 N GLY A 71 5.938 1.891 11.096 1.00 0.00 N ATOM 995 CA GLY A 71 7.352 1.610 10.921 1.00 0.00 C ATOM 996 C GLY A 71 7.584 0.690 9.720 1.00 0.00 C ATOM 997 O GLY A 71 7.055 0.932 8.636 1.00 0.00 O ATOM 0 H GLY A 71 5.612 2.742 10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.897 2.543 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.748 1.143 11.823 1.00 0.00 H new ATOM 1001 N SER A 72 8.377 -0.345 9.955 1.00 0.00 N ATOM 1002 CA SER A 72 8.686 -1.303 8.906 1.00 0.00 C ATOM 1003 C SER A 72 7.669 -2.447 8.927 1.00 0.00 C ATOM 1004 O SER A 72 7.753 -3.341 9.766 1.00 0.00 O ATOM 1005 CB SER A 72 10.106 -1.852 9.062 1.00 0.00 C ATOM 1006 OG SER A 72 10.509 -1.910 10.427 1.00 0.00 O ATOM 0 H SER A 72 8.815 -0.541 10.855 1.00 0.00 H new ATOM 0 HA SER A 72 8.628 -0.790 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.159 -2.849 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.801 -1.223 8.505 1.00 0.00 H new ATOM 0 HG SER A 72 11.420 -2.267 10.484 1.00 0.00 H new ATOM 1012 N PRO A 73 6.709 -2.378 7.967 1.00 0.00 N ATOM 1013 CA PRO A 73 5.678 -3.397 7.866 1.00 0.00 C ATOM 1014 C PRO A 73 6.238 -4.688 7.263 1.00 0.00 C ATOM 1015 O PRO A 73 5.569 -5.720 7.265 1.00 0.00 O ATOM 1016 CB PRO A 73 4.585 -2.770 7.017 1.00 0.00 C ATOM 1017 CG PRO A 73 5.240 -1.607 6.288 1.00 0.00 C ATOM 1018 CD PRO A 73 6.579 -1.334 6.955 1.00 0.00 C ATOM 0 HA PRO A 73 5.286 -3.695 8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.176 -3.493 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.757 -2.426 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.380 -1.847 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.604 -0.723 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.396 -1.377 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.602 -0.341 7.405 1.00 0.00 H new ATOM 1026 N GLY A 74 7.459 -4.586 6.760 1.00 0.00 N ATOM 1027 CA GLY A 74 8.117 -5.731 6.155 1.00 0.00 C ATOM 1028 C GLY A 74 8.620 -5.395 4.750 1.00 0.00 C ATOM 1029 O GLY A 74 9.635 -4.717 4.595 1.00 0.00 O ATOM 0 H GLY A 74 8.010 -3.728 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.953 -6.046 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.423 -6.570 6.106 1.00 0.00 H new ATOM 1033 N ALA A 75 7.887 -5.883 3.760 1.00 0.00 N ATOM 1034 CA ALA A 75 8.246 -5.642 2.372 1.00 0.00 C ATOM 1035 C ALA A 75 6.981 -5.329 1.570 1.00 0.00 C ATOM 1036 O ALA A 75 6.953 -4.373 0.798 1.00 0.00 O ATOM 1037 CB ALA A 75 9.000 -6.854 1.823 1.00 0.00 C ATOM 0 H ALA A 75 7.046 -6.444 3.891 1.00 0.00 H new ATOM 0 HA ALA A 75 8.909 -4.781 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.269 -6.674 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.905 -7.016 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.364 -7.737 1.886 1.00 0.00 H new ATOM 1043 N ASP A 76 5.966 -6.155 1.780 1.00 0.00 N ATOM 1044 CA ASP A 76 4.702 -5.978 1.085 1.00 0.00 C ATOM 1045 C ASP A 76 4.084 -4.638 1.493 1.00 0.00 C ATOM 1046 O ASP A 76 3.942 -4.353 2.681 1.00 0.00 O ATOM 1047 CB ASP A 76 3.712 -7.086 1.452 1.00 0.00 C ATOM 1048 CG ASP A 76 4.332 -8.475 1.623 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.251 -8.787 0.835 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.871 -9.192 2.536 1.00 0.00 O ATOM 0 H ASP A 76 5.993 -6.948 2.421 1.00 0.00 H new ATOM 0 HA ASP A 76 4.899 -6.010 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.210 -6.812 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.946 -7.139 0.679 1.00 0.00 H new ATOM 1055 N ARG A 77 3.733 -3.854 0.485 1.00 0.00 N ATOM 1056 CA ARG A 77 3.134 -2.552 0.724 1.00 0.00 C ATOM 1057 C ARG A 77 2.061 -2.261 -0.327 1.00 0.00 C ATOM 1058 O ARG A 77 2.157 -2.724 -1.463 1.00 0.00 O ATOM 1059 CB ARG A 77 4.189 -1.445 0.685 1.00 0.00 C ATOM 1060 CG ARG A 77 5.449 -1.860 1.448 1.00 0.00 C ATOM 1061 CD ARG A 77 5.441 -1.296 2.870 1.00 0.00 C ATOM 1062 NE ARG A 77 6.799 -0.843 3.242 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.651 -1.558 3.990 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.289 -2.763 4.451 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.864 -1.067 4.278 1.00 0.00 N ATOM 0 H ARG A 77 3.852 -4.095 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 77 2.681 -2.572 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.445 -1.218 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.780 -0.533 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.514 -2.947 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.333 -1.505 0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.740 -0.464 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.098 -2.058 3.570 1.00 0.00 H new ATOM 0 HE ARG A 77 7.106 0.071 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.365 -3.136 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.937 -3.307 5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.139 -0.149 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.512 -1.611 4.847 1.00 0.00 H new ATOM 1079 N VAL A 78 1.062 -1.496 0.088 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.028 -1.138 -0.803 1.00 0.00 C ATOM 1081 C VAL A 78 -0.077 0.384 -0.956 1.00 0.00 C ATOM 1082 O VAL A 78 0.269 1.116 -0.030 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.341 -1.728 -0.287 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.428 -3.224 -0.597 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.509 -1.469 1.211 1.00 0.00 C ATOM 0 H VAL A 78 0.985 -1.114 1.031 1.00 0.00 H new ATOM 0 HA VAL A 78 0.136 -1.560 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.159 -1.229 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.371 -3.620 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.376 -3.376 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.599 -3.744 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.451 -1.899 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.683 -1.928 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.513 -0.395 1.396 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.508 0.815 -2.132 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.607 2.236 -2.419 1.00 0.00 C ATOM 1097 C VAL A 79 -1.977 2.535 -3.030 1.00 0.00 C ATOM 1098 O VAL A 79 -2.307 2.026 -4.100 1.00 0.00 O ATOM 1099 CB VAL A 79 0.555 2.671 -3.314 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.406 4.136 -3.733 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.899 2.433 -2.622 1.00 0.00 C ATOM 0 H VAL A 79 -0.793 0.205 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.528 2.817 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 79 0.530 2.060 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.245 4.420 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.526 4.264 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.393 4.769 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.708 2.751 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.938 3.006 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.010 1.372 -2.397 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.737 3.359 -2.324 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.064 3.732 -2.785 1.00 0.00 C ATOM 1113 C PHE A 80 -4.198 5.251 -2.903 1.00 0.00 C ATOM 1114 O PHE A 80 -3.196 5.958 -3.013 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.059 3.224 -1.739 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.937 3.914 -0.379 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.862 3.663 0.417 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.902 4.777 0.036 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.749 4.303 1.680 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.789 5.417 1.299 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.714 5.166 2.094 1.00 0.00 C ATOM 0 H PHE A 80 -2.460 3.779 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.251 3.301 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.072 3.365 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.915 2.152 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.095 2.977 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.755 4.976 -0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.896 4.104 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.556 6.102 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.627 5.653 3.054 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.440 5.708 -2.877 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.717 7.132 -2.980 1.00 0.00 C ATOM 1133 C ASN A 81 -6.765 7.519 -1.935 1.00 0.00 C ATOM 1134 O ASN A 81 -7.062 6.742 -1.029 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.271 7.486 -4.360 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.873 6.434 -5.399 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -6.507 5.274 -5.263 1.00 0.00 O flip ATOM 1138 ND2 ASN A 81 -5.044 6.662 -6.265 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.267 5.118 -2.786 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.783 7.671 -2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.357 7.561 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.898 8.463 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.594 7.576 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.801 5.938 -6.941 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.298 8.722 -2.097 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.306 9.223 -1.179 1.00 0.00 C ATOM 1147 C GLU A 82 -9.704 8.826 -1.659 1.00 0.00 C ATOM 1148 O GLU A 82 -10.706 9.284 -1.111 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.194 10.740 -1.015 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.420 11.306 -0.297 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.088 12.630 0.396 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.887 12.841 0.668 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -10.043 13.400 0.636 1.00 0.00 O ATOM 0 H GLU A 82 -7.050 9.364 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.136 8.772 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.294 10.983 -0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.093 11.209 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.227 11.459 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.779 10.586 0.439 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.727 7.978 -2.676 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.985 7.514 -3.236 1.00 0.00 C ATOM 1162 C ASN A 83 -11.322 6.141 -2.653 1.00 0.00 C ATOM 1163 O ASN A 83 -12.488 5.749 -2.611 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.893 7.373 -4.757 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.437 7.432 -5.226 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.870 6.239 -5.379 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.868 8.491 -5.434 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.894 7.600 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.754 8.245 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.340 6.428 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.465 8.168 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.364 9.372 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.897 8.496 -5.746 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.281 5.447 -2.218 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.452 4.124 -1.639 1.00 0.00 C ATOM 1176 C ASN A 84 -9.910 3.074 -2.610 1.00 0.00 C ATOM 1177 O ASN A 84 -10.252 1.896 -2.509 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.931 3.820 -1.389 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.612 3.327 -2.668 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.038 3.758 -3.788 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.594 2.603 -2.639 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.316 5.775 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.913 4.097 -0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.024 3.065 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.434 4.716 -1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.984 2.309 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.024 2.292 -3.510 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.074 3.537 -3.527 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.481 2.651 -4.515 1.00 0.00 C ATOM 1190 C GLN A 85 -7.011 2.392 -4.181 1.00 0.00 C ATOM 1191 O GLN A 85 -6.180 3.293 -4.280 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.631 3.225 -5.926 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.104 3.440 -6.278 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.247 4.228 -7.581 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.802 3.760 -8.562 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.716 5.447 -7.538 1.00 0.00 N ATOM 0 H GLN A 85 -8.793 4.514 -3.607 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.012 1.700 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.095 4.172 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.176 2.547 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.603 2.476 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.601 3.975 -5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.266 5.777 -6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.759 6.051 -8.359 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.735 1.156 -3.793 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.379 0.766 -3.444 1.00 0.00 C ATOM 1207 C LEU A 86 -4.766 -0.024 -4.601 1.00 0.00 C ATOM 1208 O LEU A 86 -5.457 -0.793 -5.269 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.364 0.015 -2.111 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.988 -0.412 -1.597 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.431 0.610 -0.604 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -4.037 -1.821 -1.002 1.00 0.00 C ATOM 0 H LEU A 86 -7.427 0.411 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.756 1.648 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.832 0.646 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.985 -0.875 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.303 -0.444 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.452 0.282 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.335 1.579 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.108 0.699 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.046 -2.100 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.742 -1.841 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.359 -2.528 -1.767 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.475 0.192 -4.805 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.761 -0.490 -5.870 1.00 0.00 C ATOM 1226 C ALA A 87 -1.300 -0.684 -5.457 1.00 0.00 C ATOM 1227 O ALA A 87 -0.743 -1.768 -5.625 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.897 0.307 -7.169 1.00 0.00 C ATOM 0 H ALA A 87 -2.905 0.830 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.188 -1.477 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.361 -0.205 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.951 0.392 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.476 1.303 -7.030 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.722 0.382 -4.924 1.00 0.00 N ATOM 1235 CA GLY A 88 0.662 0.342 -4.486 1.00 0.00 C ATOM 1236 C GLY A 88 0.985 -0.992 -3.809 1.00 0.00 C ATOM 1237 O GLY A 88 1.414 -1.020 -2.657 1.00 0.00 O ATOM 0 H GLY A 88 -1.187 1.279 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.322 0.489 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.851 1.161 -3.792 1.00 0.00 H new ATOM 1241 N VAL A 89 0.767 -2.065 -4.556 1.00 0.00 N ATOM 1242 CA VAL A 89 1.028 -3.398 -4.043 1.00 0.00 C ATOM 1243 C VAL A 89 2.520 -3.711 -4.186 1.00 0.00 C ATOM 1244 O VAL A 89 2.896 -4.852 -4.448 1.00 0.00 O ATOM 1245 CB VAL A 89 0.133 -4.417 -4.751 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.850 -5.760 -4.910 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.195 -4.589 -4.012 1.00 0.00 C ATOM 0 H VAL A 89 0.413 -2.037 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 89 0.783 -3.454 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.086 -4.034 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.192 -6.466 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.756 -5.621 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.114 -6.150 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.812 -5.319 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.004 -4.938 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.717 -3.633 -3.975 1.00 0.00 H new ATOM 1257 N ILE A 90 3.328 -2.677 -4.009 1.00 0.00 N ATOM 1258 CA ILE A 90 4.769 -2.827 -4.115 1.00 0.00 C ATOM 1259 C ILE A 90 5.268 -3.734 -2.988 1.00 0.00 C ATOM 1260 O ILE A 90 4.501 -4.107 -2.101 1.00 0.00 O ATOM 1261 CB ILE A 90 5.450 -1.457 -4.147 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.598 -0.883 -2.736 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.707 -0.498 -5.081 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.650 0.298 -2.522 1.00 0.00 C ATOM 0 H ILE A 90 3.012 -1.731 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 90 5.032 -3.311 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 90 6.455 -1.585 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.389 -1.659 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.627 -0.561 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.211 0.468 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.698 -0.908 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.682 -0.371 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.776 0.687 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.877 1.083 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.620 -0.033 -2.658 1.00 0.00 H new ATOM 1276 N THR A 91 6.550 -4.062 -3.058 1.00 0.00 N ATOM 1277 CA THR A 91 7.160 -4.918 -2.056 1.00 0.00 C ATOM 1278 C THR A 91 8.684 -4.822 -2.129 1.00 0.00 C ATOM 1279 O THR A 91 9.241 -4.519 -3.183 1.00 0.00 O ATOM 1280 CB THR A 91 6.629 -6.339 -2.261 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.700 -7.174 -1.830 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.455 -6.691 -3.740 1.00 0.00 C ATOM 0 H THR A 91 7.183 -3.750 -3.794 1.00 0.00 H new ATOM 0 HA THR A 91 6.894 -4.599 -1.048 1.00 0.00 H new ATOM 0 HB THR A 91 5.674 -6.448 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.508 -8.104 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.076 -7.709 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.748 -5.999 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.417 -6.616 -4.248 1.00 0.00 H new ATOM 1290 N HIS A 92 9.317 -5.086 -0.995 1.00 0.00 N ATOM 1291 CA HIS A 92 10.767 -5.034 -0.917 1.00 0.00 C ATOM 1292 C HIS A 92 11.363 -6.274 -1.585 1.00 0.00 C ATOM 1293 O HIS A 92 12.553 -6.549 -1.444 1.00 0.00 O ATOM 1294 CB HIS A 92 11.228 -4.863 0.533 1.00 0.00 C ATOM 1295 CG HIS A 92 11.142 -3.443 1.041 1.00 0.00 C ATOM 1296 ND1 HIS A 92 12.063 -2.906 1.922 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.236 -2.457 0.783 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.718 -1.652 2.176 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.584 -1.376 1.469 1.00 0.00 N ATOM 0 H HIS A 92 8.852 -5.337 -0.123 1.00 0.00 H new ATOM 0 HA HIS A 92 11.132 -4.161 -1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.623 -5.505 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.259 -5.207 0.619 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.380 -2.542 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.242 -0.969 2.828 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.086 -0.486 1.468 1.00 0.00 H new ATOM 1308 N THR A 93 10.507 -6.990 -2.300 1.00 0.00 N ATOM 1309 CA THR A 93 10.933 -8.195 -2.992 1.00 0.00 C ATOM 1310 C THR A 93 12.178 -7.913 -3.835 1.00 0.00 C ATOM 1311 O THR A 93 12.069 -7.575 -5.013 1.00 0.00 O ATOM 1312 CB THR A 93 9.750 -8.715 -3.809 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.094 -9.625 -2.930 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.189 -9.586 -4.987 1.00 0.00 C ATOM 0 H THR A 93 9.520 -6.759 -2.415 1.00 0.00 H new ATOM 0 HA THR A 93 11.226 -8.974 -2.287 1.00 0.00 H new ATOM 0 HB THR A 93 9.167 -7.872 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.312 -10.008 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.310 -9.929 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.826 -9.003 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.744 -10.447 -4.616 1.00 0.00 H new ATOM 1322 N GLY A 94 13.331 -8.062 -3.200 1.00 0.00 N ATOM 1323 CA GLY A 94 14.594 -7.829 -3.878 1.00 0.00 C ATOM 1324 C GLY A 94 14.449 -6.747 -4.951 1.00 0.00 C ATOM 1325 O GLY A 94 14.987 -6.881 -6.049 1.00 0.00 O ATOM 0 H GLY A 94 13.417 -8.341 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.350 -7.528 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.942 -8.755 -4.335 1.00 0.00 H new ATOM 1329 N ALA A 95 13.720 -5.700 -4.595 1.00 0.00 N ATOM 1330 CA ALA A 95 13.496 -4.597 -5.514 1.00 0.00 C ATOM 1331 C ALA A 95 14.842 -3.968 -5.885 1.00 0.00 C ATOM 1332 O ALA A 95 14.910 -3.118 -6.772 1.00 0.00 O ATOM 1333 CB ALA A 95 12.539 -3.588 -4.878 1.00 0.00 C ATOM 0 H ALA A 95 13.277 -5.592 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 95 13.031 -4.952 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.371 -2.761 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.589 -4.076 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.973 -3.207 -3.954 1.00 0.00 H new ATOM 1339 N SER A 96 15.877 -4.410 -5.188 1.00 0.00 N ATOM 1340 CA SER A 96 17.217 -3.902 -5.434 1.00 0.00 C ATOM 1341 C SER A 96 17.581 -2.856 -4.379 1.00 0.00 C ATOM 1342 O SER A 96 18.098 -1.790 -4.708 1.00 0.00 O ATOM 1343 CB SER A 96 17.330 -3.302 -6.837 1.00 0.00 C ATOM 1344 OG SER A 96 18.683 -3.221 -7.275 1.00 0.00 O ATOM 0 H SER A 96 15.816 -5.114 -4.453 1.00 0.00 H new ATOM 0 HA SER A 96 17.916 -4.735 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.758 -3.909 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.887 -2.306 -6.842 1.00 0.00 H new ATOM 0 HG SER A 96 18.713 -2.834 -8.175 1.00 0.00 H new ATOM 1350 N GLY A 97 17.297 -3.198 -3.130 1.00 0.00 N ATOM 1351 CA GLY A 97 17.589 -2.302 -2.024 1.00 0.00 C ATOM 1352 C GLY A 97 16.313 -1.942 -1.260 1.00 0.00 C ATOM 1353 O GLY A 97 15.523 -2.819 -0.915 1.00 0.00 O ATOM 0 H GLY A 97 16.868 -4.083 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.302 -2.774 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.060 -1.394 -2.401 1.00 0.00 H new ATOM 1357 N ASN A 98 16.152 -0.649 -1.018 1.00 0.00 N ATOM 1358 CA ASN A 98 14.986 -0.162 -0.300 1.00 0.00 C ATOM 1359 C ASN A 98 13.926 0.291 -1.306 1.00 0.00 C ATOM 1360 O ASN A 98 12.955 0.950 -0.936 1.00 0.00 O ATOM 1361 CB ASN A 98 15.342 1.036 0.583 1.00 0.00 C ATOM 1362 CG ASN A 98 14.093 1.623 1.243 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.159 0.720 1.531 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.984 2.815 1.476 1.00 0.00 N flip ATOM 0 H ASN A 98 16.809 0.076 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 98 14.613 -0.973 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.052 0.728 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.834 1.801 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.740 3.454 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.137 3.173 1.918 1.00 0.00 H new ATOM 1371 N ASN A 99 14.148 -0.078 -2.559 1.00 0.00 N ATOM 1372 CA ASN A 99 13.225 0.283 -3.621 1.00 0.00 C ATOM 1373 C ASN A 99 11.959 -0.569 -3.501 1.00 0.00 C ATOM 1374 O ASN A 99 11.936 -1.551 -2.760 1.00 0.00 O ATOM 1375 CB ASN A 99 13.840 0.023 -4.998 1.00 0.00 C ATOM 1376 CG ASN A 99 14.983 -0.989 -4.905 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.721 -2.033 -4.123 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 16.034 -0.834 -5.505 1.00 0.00 N flip ATOM 0 H ASN A 99 14.954 -0.624 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 99 12.996 1.344 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.074 -0.350 -5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.211 0.958 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.171 -0.009 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.776 -1.529 -5.422 1.00 0.00 H new ATOM 1385 N PHE A 100 10.938 -0.161 -4.239 1.00 0.00 N ATOM 1386 CA PHE A 100 9.672 -0.874 -4.225 1.00 0.00 C ATOM 1387 C PHE A 100 9.312 -1.382 -5.623 1.00 0.00 C ATOM 1388 O PHE A 100 9.903 -0.954 -6.613 1.00 0.00 O ATOM 1389 CB PHE A 100 8.604 0.121 -3.767 1.00 0.00 C ATOM 1390 CG PHE A 100 8.535 0.307 -2.250 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.331 -0.768 -1.442 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.681 1.546 -1.710 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.269 -0.595 -0.033 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.618 1.719 -0.301 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.412 0.645 0.507 1.00 0.00 C ATOM 0 H PHE A 100 10.961 0.655 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 100 9.738 -1.736 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.799 1.087 -4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.631 -0.215 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.216 -1.752 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.845 2.399 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.108 -1.448 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.734 2.703 0.128 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.362 0.777 1.578 1.00 0.00 H new ATOM 1405 N VAL A 101 8.347 -2.288 -5.658 1.00 0.00 N ATOM 1406 CA VAL A 101 7.902 -2.860 -6.917 1.00 0.00 C ATOM 1407 C VAL A 101 6.539 -3.526 -6.718 1.00 0.00 C ATOM 1408 O VAL A 101 6.384 -4.384 -5.851 1.00 0.00 O ATOM 1409 CB VAL A 101 8.962 -3.820 -7.460 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.278 -3.087 -7.734 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.178 -4.996 -6.505 1.00 0.00 C ATOM 0 H VAL A 101 7.860 -2.641 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 101 7.775 -2.079 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 101 8.598 -4.220 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.014 -3.793 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.110 -2.300 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.648 -2.646 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.936 -5.663 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.509 -4.622 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.243 -5.542 -6.383 1.00 0.00 H new ATOM 1421 N GLU A 102 5.585 -3.104 -7.535 1.00 0.00 N ATOM 1422 CA GLU A 102 4.241 -3.648 -7.460 1.00 0.00 C ATOM 1423 C GLU A 102 4.282 -5.177 -7.517 1.00 0.00 C ATOM 1424 O GLU A 102 4.803 -5.752 -8.471 1.00 0.00 O ATOM 1425 CB GLU A 102 3.356 -3.083 -8.573 1.00 0.00 C ATOM 1426 CG GLU A 102 4.179 -2.780 -9.826 1.00 0.00 C ATOM 1427 CD GLU A 102 3.285 -2.705 -11.065 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.332 -1.896 -11.029 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.573 -3.459 -12.019 1.00 0.00 O ATOM 0 H GLU A 102 5.717 -2.391 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 102 3.804 -3.350 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.569 -3.797 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.866 -2.173 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.709 -1.836 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.935 -3.553 -9.965 1.00 0.00 H new ATOM 1436 N CYS A 103 3.728 -5.791 -6.482 1.00 0.00 N ATOM 1437 CA CYS A 103 3.695 -7.241 -6.402 1.00 0.00 C ATOM 1438 C CYS A 103 3.151 -7.784 -7.725 1.00 0.00 C ATOM 1439 O CYS A 103 2.768 -7.014 -8.604 1.00 0.00 O ATOM 1440 CB CYS A 103 2.873 -7.724 -5.206 1.00 0.00 C ATOM 1441 SG CYS A 103 3.539 -7.242 -3.571 1.00 0.00 S ATOM 0 H CYS A 103 3.298 -5.310 -5.692 1.00 0.00 H new ATOM 0 HA CYS A 103 4.704 -7.621 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.859 -7.334 -5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.802 -8.811 -5.247 1.00 0.00 H new ATOM 0 HG CYS A 103 2.912 -7.895 -2.638 1.00 0.00 H new ATOM 1446 N THR A 104 3.135 -9.105 -7.824 1.00 0.00 N ATOM 1447 CA THR A 104 2.644 -9.759 -9.026 1.00 0.00 C ATOM 1448 C THR A 104 1.272 -10.386 -8.769 1.00 0.00 C ATOM 1449 O THR A 104 0.247 -9.715 -8.880 1.00 0.00 O ATOM 1450 CB THR A 104 3.699 -10.769 -9.479 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.798 -11.681 -8.388 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.096 -10.154 -9.578 1.00 0.00 C ATOM 0 H THR A 104 3.454 -9.740 -7.092 1.00 0.00 H new ATOM 0 HA THR A 104 2.493 -9.042 -9.833 1.00 0.00 H new ATOM 0 HB THR A 104 3.414 -11.180 -10.448 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.336 -11.309 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.806 -10.914 -9.904 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.083 -9.337 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.395 -9.772 -8.602 1.00 0.00 H new TER 1460 THR A 104