USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 52 THR OG1 : rot 180:sc= 0.0106 USER MOD Set 1.2: A 53 ASN : amide:sc= 0 X(o=0.011,f=0.31) USER MOD Set 2.1: A 2 SER OG : rot -100:sc= 1 USER MOD Set 2.2: A 59 SER OG : rot -126:sc= 1.18 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= 0.0704 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0.14 USER MOD Single : A -2 SER OG : rot 180:sc= 0.211 USER MOD Single : A -3 GLY N :NH3+ -129:sc= 0.065 (180deg=0) USER MOD Single : A 12 CYS SG : rot 84:sc= 0.236 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.335 (180deg=-0.379) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.558 K(o=0.56,f=-3.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -130:sc= 0 (180deg=-0.0562) USER MOD Single : A 36 CYS SG : rot 31:sc= -0.119 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.058 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 51 SER OG : rot 163:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 58 GLN : amide:sc= 0.442 K(o=0.44,f=-0.26) USER MOD Single : A 60 ASN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 67 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0991 K(o=-0.099,f=-0.64) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 15.415 -6.862 15.360 1.00 0.00 N ATOM 2 CA GLY A -3 14.838 -6.309 14.116 1.00 0.00 C ATOM 3 C GLY A -3 14.725 -7.365 13.024 1.00 0.00 C ATOM 4 O GLY A -3 14.786 -8.565 13.296 1.00 0.00 O ATOM 0 H1 GLY A -3 14.804 -6.617 16.165 1.00 0.00 H new ATOM 0 H2 GLY A -3 15.484 -7.897 15.281 1.00 0.00 H new ATOM 0 H3 GLY A -3 16.363 -6.462 15.511 1.00 0.00 H new ATOM 0 HA2 GLY A -3 13.851 -5.896 14.326 1.00 0.00 H new ATOM 0 HA3 GLY A -3 15.459 -5.486 13.762 1.00 0.00 H new ATOM 10 N SER A -2 14.564 -6.934 11.771 1.00 0.00 N ATOM 11 CA SER A -2 14.373 -7.813 10.601 1.00 0.00 C ATOM 12 C SER A -2 14.667 -7.066 9.285 1.00 0.00 C ATOM 13 O SER A -2 15.751 -7.200 8.716 1.00 0.00 O ATOM 14 CB SER A -2 12.959 -8.436 10.614 1.00 0.00 C ATOM 15 OG SER A -2 11.924 -7.456 10.706 1.00 0.00 O ATOM 0 H SER A -2 14.562 -5.943 11.530 1.00 0.00 H new ATOM 0 HA SER A -2 15.091 -8.630 10.664 1.00 0.00 H new ATOM 0 HB2 SER A -2 12.817 -9.024 9.707 1.00 0.00 H new ATOM 0 HB3 SER A -2 12.878 -9.124 11.455 1.00 0.00 H new ATOM 0 HG SER A -2 11.051 -7.901 10.709 1.00 0.00 H new ATOM 21 N SER A -1 13.730 -6.239 8.819 1.00 0.00 N ATOM 22 CA SER A -1 13.813 -5.410 7.608 1.00 0.00 C ATOM 23 C SER A -1 12.680 -4.369 7.579 1.00 0.00 C ATOM 24 O SER A -1 11.568 -4.640 8.045 1.00 0.00 O ATOM 25 CB SER A -1 13.741 -6.287 6.347 1.00 0.00 C ATOM 26 OG SER A -1 13.832 -5.500 5.164 1.00 0.00 O ATOM 0 H SER A -1 12.840 -6.120 9.302 1.00 0.00 H new ATOM 0 HA SER A -1 14.770 -4.888 7.625 1.00 0.00 H new ATOM 0 HB2 SER A -1 14.549 -7.018 6.363 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.805 -6.846 6.343 1.00 0.00 H new ATOM 0 HG SER A -1 13.785 -6.084 4.378 1.00 0.00 H new ATOM 32 N GLY A 0 12.952 -3.181 7.027 1.00 0.00 N ATOM 33 CA GLY A 0 11.956 -2.134 6.749 1.00 0.00 C ATOM 34 C GLY A 0 11.557 -2.040 5.271 1.00 0.00 C ATOM 35 O GLY A 0 10.793 -1.148 4.903 1.00 0.00 O ATOM 0 H GLY A 0 13.897 -2.912 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 0 11.064 -2.326 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 0 12.354 -1.172 7.071 1.00 0.00 H new ATOM 39 N SER A 1 12.080 -2.917 4.412 1.00 0.00 N ATOM 40 CA SER A 1 11.955 -2.811 2.950 1.00 0.00 C ATOM 41 C SER A 1 10.707 -3.516 2.383 1.00 0.00 C ATOM 42 O SER A 1 10.295 -4.581 2.849 1.00 0.00 O ATOM 43 CB SER A 1 13.215 -3.379 2.275 1.00 0.00 C ATOM 44 OG SER A 1 14.380 -2.659 2.665 1.00 0.00 O ATOM 0 H SER A 1 12.611 -3.734 4.713 1.00 0.00 H new ATOM 0 HA SER A 1 11.843 -1.749 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.329 -4.430 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.102 -3.333 1.192 1.00 0.00 H new ATOM 0 HG SER A 1 15.165 -3.043 2.222 1.00 0.00 H new ATOM 50 N SER A 2 10.130 -2.948 1.321 1.00 0.00 N ATOM 51 CA SER A 2 9.026 -3.514 0.531 1.00 0.00 C ATOM 52 C SER A 2 9.000 -2.842 -0.849 1.00 0.00 C ATOM 53 O SER A 2 9.083 -1.613 -0.943 1.00 0.00 O ATOM 54 CB SER A 2 7.688 -3.316 1.251 1.00 0.00 C ATOM 55 OG SER A 2 6.617 -3.780 0.448 1.00 0.00 O ATOM 0 H SER A 2 10.431 -2.039 0.970 1.00 0.00 H new ATOM 0 HA SER A 2 9.183 -4.586 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.697 -3.852 2.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.546 -2.260 1.482 1.00 0.00 H new ATOM 0 HG SER A 2 6.186 -3.019 0.006 1.00 0.00 H new ATOM 61 N GLY A 3 8.906 -3.629 -1.929 1.00 0.00 N ATOM 62 CA GLY A 3 9.111 -3.140 -3.298 1.00 0.00 C ATOM 63 C GLY A 3 8.026 -2.185 -3.782 1.00 0.00 C ATOM 64 O GLY A 3 8.343 -1.187 -4.421 1.00 0.00 O ATOM 0 H GLY A 3 8.685 -4.624 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.076 -2.636 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.159 -3.993 -3.975 1.00 0.00 H new ATOM 68 N ILE A 4 6.756 -2.446 -3.461 1.00 0.00 N ATOM 69 CA ILE A 4 5.629 -1.580 -3.870 1.00 0.00 C ATOM 70 C ILE A 4 5.524 -0.309 -3.016 1.00 0.00 C ATOM 71 O ILE A 4 5.228 0.769 -3.532 1.00 0.00 O ATOM 72 CB ILE A 4 4.315 -2.396 -3.920 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.141 -1.625 -4.558 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.877 -2.892 -2.528 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.382 -1.170 -6.002 1.00 0.00 C ATOM 0 H ILE A 4 6.473 -3.258 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 4 5.825 -1.221 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 4 4.553 -3.251 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.253 -2.257 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.925 -0.749 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.950 -3.459 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.654 -3.531 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.717 -2.037 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.504 -0.637 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.248 -0.509 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.566 -2.040 -6.632 1.00 0.00 H new ATOM 87 N LYS A 5 5.862 -0.405 -1.729 1.00 0.00 N ATOM 88 CA LYS A 5 5.918 0.732 -0.805 1.00 0.00 C ATOM 89 C LYS A 5 7.067 1.685 -1.187 1.00 0.00 C ATOM 90 O LYS A 5 6.889 2.904 -1.232 1.00 0.00 O ATOM 91 CB LYS A 5 6.036 0.151 0.620 1.00 0.00 C ATOM 92 CG LYS A 5 5.393 0.991 1.732 1.00 0.00 C ATOM 93 CD LYS A 5 6.173 2.260 2.103 1.00 0.00 C ATOM 94 CE LYS A 5 5.560 2.830 3.390 1.00 0.00 C ATOM 95 NZ LYS A 5 6.279 4.027 3.897 1.00 0.00 N ATOM 0 H LYS A 5 6.109 -1.292 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 5 5.018 1.345 -0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.582 -0.840 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.093 0.019 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.388 1.276 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.287 0.372 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.228 2.030 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.117 2.992 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.518 3.091 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.563 2.058 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.268 4.024 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.263 4.009 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.810 4.887 3.549 1.00 0.00 H new ATOM 109 N ASN A 6 8.222 1.124 -1.568 1.00 0.00 N ATOM 110 CA ASN A 6 9.350 1.863 -2.138 1.00 0.00 C ATOM 111 C ASN A 6 9.042 2.433 -3.536 1.00 0.00 C ATOM 112 O ASN A 6 9.509 3.522 -3.860 1.00 0.00 O ATOM 113 CB ASN A 6 10.572 0.933 -2.199 1.00 0.00 C ATOM 114 CG ASN A 6 11.831 1.666 -2.656 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.262 2.640 -2.049 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.454 1.227 -3.736 1.00 0.00 N ATOM 0 H ASN A 6 8.399 0.123 -1.486 1.00 0.00 H new ATOM 0 HA ASN A 6 9.553 2.718 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.744 0.497 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.366 0.108 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.296 1.699 -4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.093 0.416 -4.239 1.00 0.00 H new ATOM 123 N PHE A 7 8.239 1.741 -4.355 1.00 0.00 N ATOM 124 CA PHE A 7 7.903 2.182 -5.712 1.00 0.00 C ATOM 125 C PHE A 7 7.037 3.444 -5.706 1.00 0.00 C ATOM 126 O PHE A 7 7.313 4.358 -6.481 1.00 0.00 O ATOM 127 CB PHE A 7 7.228 1.042 -6.485 1.00 0.00 C ATOM 128 CG PHE A 7 6.806 1.419 -7.891 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.730 1.348 -8.950 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.495 1.870 -8.137 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.343 1.723 -10.248 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.113 2.252 -9.434 1.00 0.00 C ATOM 133 CZ PHE A 7 6.035 2.173 -10.493 1.00 0.00 C ATOM 0 H PHE A 7 7.804 0.857 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 7 8.831 2.444 -6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.913 0.196 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.351 0.709 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.737 1.005 -8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.782 1.922 -7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.053 1.665 -11.059 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.110 2.607 -9.618 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.738 2.457 -11.492 1.00 0.00 H new ATOM 143 N LEU A 8 6.047 3.543 -4.806 1.00 0.00 N ATOM 144 CA LEU A 8 5.264 4.774 -4.640 1.00 0.00 C ATOM 145 C LEU A 8 6.152 5.943 -4.192 1.00 0.00 C ATOM 146 O LEU A 8 6.073 7.035 -4.754 1.00 0.00 O ATOM 147 CB LEU A 8 4.107 4.518 -3.655 1.00 0.00 C ATOM 148 CG LEU A 8 3.157 5.726 -3.465 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.617 6.303 -4.785 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.966 5.312 -2.591 1.00 0.00 C ATOM 0 H LEU A 8 5.771 2.784 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 8 4.839 5.060 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.527 3.665 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.524 4.242 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 8 3.751 6.506 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.959 7.146 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.450 6.640 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.059 5.533 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.299 6.164 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.425 4.499 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.327 4.979 -1.618 1.00 0.00 H new ATOM 162 N TYR A 9 7.042 5.703 -3.226 1.00 0.00 N ATOM 163 CA TYR A 9 7.978 6.712 -2.725 1.00 0.00 C ATOM 164 C TYR A 9 8.970 7.194 -3.804 1.00 0.00 C ATOM 165 O TYR A 9 9.203 8.396 -3.944 1.00 0.00 O ATOM 166 CB TYR A 9 8.703 6.138 -1.501 1.00 0.00 C ATOM 167 CG TYR A 9 9.574 7.145 -0.775 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.016 7.966 0.224 1.00 0.00 C ATOM 169 CD2 TYR A 9 10.938 7.270 -1.107 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.815 8.917 0.886 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.742 8.222 -0.448 1.00 0.00 C ATOM 172 CZ TYR A 9 11.181 9.051 0.551 1.00 0.00 C ATOM 173 OH TYR A 9 11.950 9.974 1.193 1.00 0.00 O ATOM 0 H TYR A 9 7.134 4.797 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 9 7.415 7.600 -2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.963 5.743 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.322 5.299 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.972 7.866 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.368 6.635 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.383 9.545 1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.786 8.318 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 9 12.865 9.936 0.845 1.00 0.00 H new ATOM 183 N ALA A 10 9.511 6.271 -4.606 1.00 0.00 N ATOM 184 CA ALA A 10 10.418 6.565 -5.716 1.00 0.00 C ATOM 185 C ALA A 10 9.714 7.297 -6.872 1.00 0.00 C ATOM 186 O ALA A 10 10.261 8.259 -7.408 1.00 0.00 O ATOM 187 CB ALA A 10 11.056 5.251 -6.184 1.00 0.00 C ATOM 0 H ALA A 10 9.324 5.274 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 10 11.193 7.247 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.736 5.451 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.610 4.802 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.276 4.565 -6.513 1.00 0.00 H new ATOM 193 N TRP A 11 8.483 6.904 -7.215 1.00 0.00 N ATOM 194 CA TRP A 11 7.650 7.585 -8.212 1.00 0.00 C ATOM 195 C TRP A 11 7.368 9.039 -7.809 1.00 0.00 C ATOM 196 O TRP A 11 7.545 9.953 -8.614 1.00 0.00 O ATOM 197 CB TRP A 11 6.345 6.799 -8.389 1.00 0.00 C ATOM 198 CG TRP A 11 5.359 7.429 -9.321 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.266 7.217 -10.654 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.307 8.388 -8.998 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.241 7.984 -11.177 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.628 8.739 -10.199 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.851 8.987 -7.804 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.570 9.658 -10.215 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.787 9.906 -7.807 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.150 10.248 -9.012 1.00 0.00 C ATOM 0 H TRP A 11 8.030 6.090 -6.801 1.00 0.00 H new ATOM 0 HA TRP A 11 8.186 7.619 -9.161 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.585 5.801 -8.755 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.875 6.676 -7.413 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.897 6.550 -11.223 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.972 7.991 -12.161 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.329 8.734 -6.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.082 9.910 -11.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.458 10.351 -6.880 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.340 10.962 -9.013 1.00 0.00 H new ATOM 217 N CYS A 12 7.008 9.261 -6.540 1.00 0.00 N ATOM 218 CA CYS A 12 6.864 10.603 -5.962 1.00 0.00 C ATOM 219 C CYS A 12 8.172 11.410 -6.066 1.00 0.00 C ATOM 220 O CYS A 12 8.151 12.559 -6.515 1.00 0.00 O ATOM 221 CB CYS A 12 6.414 10.474 -4.501 1.00 0.00 C ATOM 222 SG CYS A 12 4.705 9.881 -4.372 1.00 0.00 S ATOM 0 H CYS A 12 6.807 8.510 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 12 6.110 11.150 -6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.078 9.787 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.501 11.442 -4.007 1.00 0.00 H new ATOM 0 HG CYS A 12 4.688 8.584 -4.459 1.00 0.00 H new ATOM 228 N GLY A 13 9.314 10.801 -5.727 1.00 0.00 N ATOM 229 CA GLY A 13 10.636 11.445 -5.736 1.00 0.00 C ATOM 230 C GLY A 13 11.140 11.820 -7.134 1.00 0.00 C ATOM 231 O GLY A 13 11.864 12.805 -7.274 1.00 0.00 O ATOM 0 H GLY A 13 9.347 9.825 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.594 12.345 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.358 10.775 -5.269 1.00 0.00 H new ATOM 235 N LYS A 14 10.704 11.113 -8.183 1.00 0.00 N ATOM 236 CA LYS A 14 10.985 11.455 -9.590 1.00 0.00 C ATOM 237 C LYS A 14 10.097 12.604 -10.117 1.00 0.00 C ATOM 238 O LYS A 14 10.334 13.119 -11.213 1.00 0.00 O ATOM 239 CB LYS A 14 10.835 10.184 -10.454 1.00 0.00 C ATOM 240 CG LYS A 14 11.935 9.128 -10.238 1.00 0.00 C ATOM 241 CD LYS A 14 13.302 9.554 -10.795 1.00 0.00 C ATOM 242 CE LYS A 14 14.310 8.407 -10.627 1.00 0.00 C ATOM 243 NZ LYS A 14 15.648 8.765 -11.165 1.00 0.00 N ATOM 0 H LYS A 14 10.136 10.272 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 14 12.009 11.824 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.867 9.729 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.829 10.474 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.032 8.927 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.632 8.195 -10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.210 9.819 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.657 10.443 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.399 8.153 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.938 7.519 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.300 7.966 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.568 8.983 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.014 9.597 -10.660 1.00 0.00 H new ATOM 257 N ARG A 15 9.100 13.016 -9.324 1.00 0.00 N ATOM 258 CA ARG A 15 8.110 14.063 -9.615 1.00 0.00 C ATOM 259 C ARG A 15 8.158 15.229 -8.603 1.00 0.00 C ATOM 260 O ARG A 15 7.266 16.077 -8.604 1.00 0.00 O ATOM 261 CB ARG A 15 6.716 13.412 -9.660 1.00 0.00 C ATOM 262 CG ARG A 15 6.580 12.339 -10.758 1.00 0.00 C ATOM 263 CD ARG A 15 5.191 11.692 -10.780 1.00 0.00 C ATOM 264 NE ARG A 15 4.131 12.648 -11.161 1.00 0.00 N ATOM 265 CZ ARG A 15 3.235 12.512 -12.134 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.218 11.506 -12.978 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.287 13.404 -12.297 1.00 0.00 N ATOM 0 H ARG A 15 8.953 12.601 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 15 8.346 14.509 -10.581 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.502 12.960 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.966 14.186 -9.823 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.782 12.791 -11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.334 11.567 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.193 10.857 -11.481 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.969 11.281 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 15 4.081 13.509 -10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.921 10.770 -12.908 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.502 11.461 -13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.233 14.210 -11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.604 13.291 -13.046 1.00 0.00 H new ATOM 281 N LYS A 16 9.171 15.267 -7.723 1.00 0.00 N ATOM 282 CA LYS A 16 9.381 16.285 -6.669 1.00 0.00 C ATOM 283 C LYS A 16 8.271 16.294 -5.584 1.00 0.00 C ATOM 284 O LYS A 16 7.960 17.335 -5.000 1.00 0.00 O ATOM 285 CB LYS A 16 9.655 17.676 -7.291 1.00 0.00 C ATOM 286 CG LYS A 16 10.860 17.683 -8.248 1.00 0.00 C ATOM 287 CD LYS A 16 11.127 19.101 -8.775 1.00 0.00 C ATOM 288 CE LYS A 16 12.281 19.146 -9.789 1.00 0.00 C ATOM 289 NZ LYS A 16 13.607 18.886 -9.164 1.00 0.00 N ATOM 0 H LYS A 16 9.903 14.557 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 16 10.279 15.999 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.768 18.007 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.829 18.397 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.744 17.310 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.671 17.009 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.222 19.487 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.358 19.759 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.101 18.408 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.297 20.123 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.348 18.928 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.795 19.605 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.605 17.943 -8.726 1.00 0.00 H new ATOM 303 N MET A 17 7.670 15.129 -5.317 1.00 0.00 N ATOM 304 CA MET A 17 6.611 14.892 -4.321 1.00 0.00 C ATOM 305 C MET A 17 7.073 13.904 -3.233 1.00 0.00 C ATOM 306 O MET A 17 8.134 13.283 -3.349 1.00 0.00 O ATOM 307 CB MET A 17 5.357 14.347 -5.033 1.00 0.00 C ATOM 308 CG MET A 17 4.785 15.330 -6.061 1.00 0.00 C ATOM 309 SD MET A 17 3.171 14.870 -6.749 1.00 0.00 S ATOM 310 CE MET A 17 3.563 13.251 -7.461 1.00 0.00 C ATOM 0 H MET A 17 7.922 14.276 -5.817 1.00 0.00 H new ATOM 0 HA MET A 17 6.378 15.838 -3.831 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.606 13.410 -5.532 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.593 14.119 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.697 16.311 -5.593 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.497 15.430 -6.880 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.696 12.872 -8.002 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.404 13.349 -8.147 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.825 12.556 -6.663 1.00 0.00 H new ATOM 320 N THR A 18 6.234 13.709 -2.208 1.00 0.00 N ATOM 321 CA THR A 18 6.408 12.720 -1.124 1.00 0.00 C ATOM 322 C THR A 18 5.029 12.157 -0.741 1.00 0.00 C ATOM 323 O THR A 18 4.105 12.961 -0.580 1.00 0.00 O ATOM 324 CB THR A 18 7.078 13.373 0.099 1.00 0.00 C ATOM 325 OG1 THR A 18 8.229 14.091 -0.293 1.00 0.00 O ATOM 326 CG2 THR A 18 7.518 12.345 1.143 1.00 0.00 C ATOM 0 H THR A 18 5.379 14.255 -2.102 1.00 0.00 H new ATOM 0 HA THR A 18 7.052 11.911 -1.468 1.00 0.00 H new ATOM 0 HB THR A 18 6.328 14.033 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.643 14.501 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.984 12.858 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.649 11.788 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.234 11.656 0.696 1.00 0.00 H new ATOM 334 N PRO A 19 4.854 10.826 -0.596 1.00 0.00 N ATOM 335 CA PRO A 19 3.587 10.232 -0.177 1.00 0.00 C ATOM 336 C PRO A 19 3.373 10.403 1.333 1.00 0.00 C ATOM 337 O PRO A 19 4.331 10.495 2.104 1.00 0.00 O ATOM 338 CB PRO A 19 3.683 8.757 -0.574 1.00 0.00 C ATOM 339 CG PRO A 19 5.173 8.462 -0.417 1.00 0.00 C ATOM 340 CD PRO A 19 5.840 9.776 -0.824 1.00 0.00 C ATOM 0 HA PRO A 19 2.732 10.714 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.075 8.124 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.343 8.590 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.422 8.186 0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.489 7.637 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.740 9.954 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.144 9.749 -1.870 1.00 0.00 H new ATOM 348 N ALA A 20 2.106 10.417 1.755 1.00 0.00 N ATOM 349 CA ALA A 20 1.695 10.577 3.149 1.00 0.00 C ATOM 350 C ALA A 20 0.763 9.434 3.576 1.00 0.00 C ATOM 351 O ALA A 20 -0.341 9.290 3.050 1.00 0.00 O ATOM 352 CB ALA A 20 1.032 11.951 3.308 1.00 0.00 C ATOM 0 H ALA A 20 1.317 10.314 1.117 1.00 0.00 H new ATOM 0 HA ALA A 20 2.564 10.529 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.719 12.086 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.744 12.732 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.161 12.013 2.655 1.00 0.00 H new ATOM 358 N TYR A 21 1.221 8.632 4.540 1.00 0.00 N ATOM 359 CA TYR A 21 0.523 7.452 5.071 1.00 0.00 C ATOM 360 C TYR A 21 -0.178 7.744 6.416 1.00 0.00 C ATOM 361 O TYR A 21 0.225 8.639 7.164 1.00 0.00 O ATOM 362 CB TYR A 21 1.526 6.293 5.240 1.00 0.00 C ATOM 363 CG TYR A 21 2.127 5.731 3.961 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.228 6.364 3.348 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.612 4.545 3.399 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.796 5.831 2.175 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.181 3.998 2.232 1.00 0.00 C ATOM 368 CZ TYR A 21 3.270 4.648 1.610 1.00 0.00 C ATOM 369 OH TYR A 21 3.818 4.126 0.478 1.00 0.00 O ATOM 0 H TYR A 21 2.122 8.790 4.991 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.252 7.175 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.340 6.635 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.026 5.482 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.638 7.264 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.773 4.051 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.634 6.327 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.786 3.084 1.814 1.00 0.00 H new ATOM 0 HH TYR A 21 4.693 4.537 0.319 1.00 0.00 H new ATOM 379 N GLU A 22 -1.192 6.944 6.753 1.00 0.00 N ATOM 380 CA GLU A 22 -1.904 6.945 8.037 1.00 0.00 C ATOM 381 C GLU A 22 -2.304 5.507 8.409 1.00 0.00 C ATOM 382 O GLU A 22 -2.528 4.685 7.521 1.00 0.00 O ATOM 383 CB GLU A 22 -3.118 7.891 7.952 1.00 0.00 C ATOM 384 CG GLU A 22 -3.903 8.047 9.262 1.00 0.00 C ATOM 385 CD GLU A 22 -3.025 8.569 10.411 1.00 0.00 C ATOM 386 OE1 GLU A 22 -2.346 7.746 11.070 1.00 0.00 O ATOM 387 OE2 GLU A 22 -3.013 9.798 10.659 1.00 0.00 O ATOM 0 H GLU A 22 -1.558 6.243 6.108 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.255 7.316 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.773 8.874 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.795 7.523 7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.736 8.732 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.331 7.085 9.543 1.00 0.00 H new ATOM 394 N ILE A 23 -2.358 5.179 9.705 1.00 0.00 N ATOM 395 CA ILE A 23 -2.494 3.802 10.227 1.00 0.00 C ATOM 396 C ILE A 23 -3.500 3.726 11.393 1.00 0.00 C ATOM 397 O ILE A 23 -3.600 4.649 12.207 1.00 0.00 O ATOM 398 CB ILE A 23 -1.090 3.252 10.618 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.200 3.116 9.356 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.163 1.905 11.370 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.203 2.550 9.598 1.00 0.00 C ATOM 0 H ILE A 23 -2.307 5.879 10.445 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.903 3.167 9.441 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.645 3.973 11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.713 2.476 8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.102 4.098 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.155 1.571 11.617 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.738 2.031 12.287 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.647 1.161 10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.742 2.496 8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.743 3.199 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.123 1.551 10.027 1.00 0.00 H new ATOM 413 N ARG A 24 -4.211 2.594 11.490 1.00 0.00 N ATOM 414 CA ARG A 24 -5.155 2.237 12.562 1.00 0.00 C ATOM 415 C ARG A 24 -4.912 0.793 13.023 1.00 0.00 C ATOM 416 O ARG A 24 -4.672 -0.088 12.199 1.00 0.00 O ATOM 417 CB ARG A 24 -6.590 2.405 12.028 1.00 0.00 C ATOM 418 CG ARG A 24 -7.672 2.159 13.092 1.00 0.00 C ATOM 419 CD ARG A 24 -9.078 2.291 12.497 1.00 0.00 C ATOM 420 NE ARG A 24 -10.104 1.950 13.498 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.413 1.877 13.292 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.951 2.125 12.114 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.213 1.548 14.284 1.00 0.00 N ATOM 0 H ARG A 24 -4.140 1.861 10.784 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.008 2.891 13.422 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.706 3.413 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.744 1.715 11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.547 1.163 13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.552 2.872 13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.234 3.310 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.175 1.635 11.632 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.776 1.750 14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.357 2.382 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.961 2.060 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.826 1.350 15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.220 1.491 14.130 1.00 0.00 H new ATOM 437 N ALA A 25 -5.015 0.529 14.327 1.00 0.00 N ATOM 438 CA ALA A 25 -4.968 -0.819 14.907 1.00 0.00 C ATOM 439 C ALA A 25 -6.388 -1.388 15.099 1.00 0.00 C ATOM 440 O ALA A 25 -7.292 -0.667 15.523 1.00 0.00 O ATOM 441 CB ALA A 25 -4.194 -0.758 16.230 1.00 0.00 C ATOM 0 H ALA A 25 -5.136 1.261 15.027 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.452 -1.496 14.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.151 -1.753 16.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.182 -0.400 16.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.699 -0.077 16.916 1.00 0.00 H new ATOM 447 N VAL A 26 -6.578 -2.673 14.791 1.00 0.00 N ATOM 448 CA VAL A 26 -7.876 -3.380 14.769 1.00 0.00 C ATOM 449 C VAL A 26 -7.707 -4.855 15.181 1.00 0.00 C ATOM 450 O VAL A 26 -6.588 -5.317 15.408 1.00 0.00 O ATOM 451 CB VAL A 26 -8.572 -3.270 13.382 1.00 0.00 C ATOM 452 CG1 VAL A 26 -8.943 -1.824 13.013 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.737 -3.887 12.245 1.00 0.00 C ATOM 0 H VAL A 26 -5.801 -3.283 14.538 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.523 -2.891 15.498 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.491 -3.846 13.489 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.425 -1.810 12.036 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.627 -1.422 13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.040 -1.214 12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.272 -3.781 11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.778 -3.373 12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.569 -4.944 12.450 1.00 0.00 H new ATOM 463 N GLY A 27 -8.811 -5.605 15.279 1.00 0.00 N ATOM 464 CA GLY A 27 -8.801 -7.051 15.541 1.00 0.00 C ATOM 465 C GLY A 27 -8.803 -7.411 17.029 1.00 0.00 C ATOM 466 O GLY A 27 -9.235 -6.630 17.879 1.00 0.00 O ATOM 0 H GLY A 27 -9.750 -5.220 15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.672 -7.502 15.067 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.920 -7.489 15.072 1.00 0.00 H new ATOM 470 N ASN A 28 -8.350 -8.627 17.333 1.00 0.00 N ATOM 471 CA ASN A 28 -8.379 -9.223 18.673 1.00 0.00 C ATOM 472 C ASN A 28 -7.161 -8.808 19.531 1.00 0.00 C ATOM 473 O ASN A 28 -6.067 -8.580 19.012 1.00 0.00 O ATOM 474 CB ASN A 28 -8.486 -10.749 18.494 1.00 0.00 C ATOM 475 CG ASN A 28 -8.617 -11.490 19.818 1.00 0.00 C ATOM 476 OD1 ASN A 28 -7.624 -11.827 20.449 1.00 0.00 O ATOM 477 ND2 ASN A 28 -9.824 -11.737 20.289 1.00 0.00 N ATOM 0 H ASN A 28 -7.940 -9.245 16.633 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.241 -8.854 19.228 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.349 -10.977 17.868 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.604 -11.111 17.966 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.935 -12.212 21.185 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.647 -11.453 19.757 1.00 0.00 H new ATOM 484 N LYS A 29 -7.325 -8.743 20.857 1.00 0.00 N ATOM 485 CA LYS A 29 -6.263 -8.357 21.804 1.00 0.00 C ATOM 486 C LYS A 29 -5.041 -9.305 21.798 1.00 0.00 C ATOM 487 O LYS A 29 -3.901 -8.851 21.917 1.00 0.00 O ATOM 488 CB LYS A 29 -6.907 -8.240 23.200 1.00 0.00 C ATOM 489 CG LYS A 29 -5.916 -7.761 24.274 1.00 0.00 C ATOM 490 CD LYS A 29 -6.609 -7.313 25.571 1.00 0.00 C ATOM 491 CE LYS A 29 -7.433 -8.408 26.271 1.00 0.00 C ATOM 492 NZ LYS A 29 -6.584 -9.484 26.848 1.00 0.00 N ATOM 0 H LYS A 29 -8.211 -8.960 21.313 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.846 -7.399 21.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.746 -7.546 23.151 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.311 -9.209 23.491 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.217 -8.566 24.501 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.330 -6.932 23.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.851 -6.948 26.264 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.265 -6.472 25.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.030 -7.957 27.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.131 -8.845 25.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.189 -10.195 27.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.033 -9.935 26.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.936 -9.075 27.551 1.00 0.00 H new ATOM 506 N ASN A 30 -5.268 -10.610 21.612 1.00 0.00 N ATOM 507 CA ASN A 30 -4.226 -11.644 21.517 1.00 0.00 C ATOM 508 C ASN A 30 -3.695 -11.850 20.077 1.00 0.00 C ATOM 509 O ASN A 30 -2.560 -12.297 19.900 1.00 0.00 O ATOM 510 CB ASN A 30 -4.795 -12.947 22.107 1.00 0.00 C ATOM 511 CG ASN A 30 -3.766 -14.074 22.163 1.00 0.00 C ATOM 512 OD1 ASN A 30 -3.738 -14.957 21.314 1.00 0.00 O ATOM 513 ND2 ASN A 30 -2.898 -14.078 23.160 1.00 0.00 N ATOM 0 H ASN A 30 -6.210 -10.990 21.520 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.357 -11.317 22.087 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.168 -12.752 23.113 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.647 -13.269 21.508 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.200 -14.819 23.226 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.926 -13.340 23.864 1.00 0.00 H new ATOM 520 N ARG A 31 -4.485 -11.481 19.055 1.00 0.00 N ATOM 521 CA ARG A 31 -4.126 -11.538 17.628 1.00 0.00 C ATOM 522 C ARG A 31 -4.519 -10.227 16.925 1.00 0.00 C ATOM 523 O ARG A 31 -5.600 -10.106 16.344 1.00 0.00 O ATOM 524 CB ARG A 31 -4.738 -12.800 16.991 1.00 0.00 C ATOM 525 CG ARG A 31 -4.216 -13.039 15.562 1.00 0.00 C ATOM 526 CD ARG A 31 -4.759 -14.339 14.951 1.00 0.00 C ATOM 527 NE ARG A 31 -4.213 -15.535 15.620 1.00 0.00 N ATOM 528 CZ ARG A 31 -4.570 -16.795 15.395 1.00 0.00 C ATOM 529 NH1 ARG A 31 -5.493 -17.114 14.510 1.00 0.00 N ATOM 530 NH2 ARG A 31 -3.994 -17.766 16.069 1.00 0.00 N ATOM 0 H ARG A 31 -5.427 -11.121 19.206 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.046 -11.624 17.509 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.507 -13.667 17.610 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.824 -12.704 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.498 -12.198 14.929 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.127 -13.075 15.577 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.846 -14.347 15.024 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.511 -14.372 13.890 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.491 -15.380 16.324 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.958 -16.383 13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.742 -18.092 14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.276 -17.551 16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.265 -18.735 15.900 1.00 0.00 H new ATOM 544 N GLN A 32 -3.644 -9.229 17.038 1.00 0.00 N ATOM 545 CA GLN A 32 -3.876 -7.861 16.569 1.00 0.00 C ATOM 546 C GLN A 32 -3.585 -7.726 15.063 1.00 0.00 C ATOM 547 O GLN A 32 -2.760 -8.447 14.499 1.00 0.00 O ATOM 548 CB GLN A 32 -3.026 -6.903 17.425 1.00 0.00 C ATOM 549 CG GLN A 32 -3.333 -5.413 17.189 1.00 0.00 C ATOM 550 CD GLN A 32 -2.624 -4.507 18.202 1.00 0.00 C ATOM 551 OE1 GLN A 32 -1.422 -4.592 18.429 1.00 0.00 O ATOM 552 NE2 GLN A 32 -3.332 -3.612 18.862 1.00 0.00 N ATOM 0 H GLN A 32 -2.728 -9.352 17.470 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.927 -7.599 16.688 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.186 -7.134 18.478 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.972 -7.084 17.216 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.027 -5.136 16.180 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.409 -5.252 17.251 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.333 -3.525 18.688 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.878 -3.007 19.546 1.00 0.00 H new ATOM 561 N LYS A 33 -4.265 -6.775 14.421 1.00 0.00 N ATOM 562 CA LYS A 33 -4.164 -6.437 12.997 1.00 0.00 C ATOM 563 C LYS A 33 -4.113 -4.912 12.795 1.00 0.00 C ATOM 564 O LYS A 33 -4.452 -4.135 13.696 1.00 0.00 O ATOM 565 CB LYS A 33 -5.361 -7.057 12.250 1.00 0.00 C ATOM 566 CG LYS A 33 -5.234 -8.578 12.078 1.00 0.00 C ATOM 567 CD LYS A 33 -6.411 -9.136 11.268 1.00 0.00 C ATOM 568 CE LYS A 33 -6.264 -10.655 11.103 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.388 -11.236 10.321 1.00 0.00 N ATOM 0 H LYS A 33 -4.940 -6.185 14.907 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.238 -6.845 12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.278 -6.833 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.451 -6.592 11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.296 -8.814 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.201 -9.057 13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.350 -8.906 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.448 -8.658 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.321 -10.877 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.223 -11.125 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.254 -12.263 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.286 -11.046 10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.411 -10.805 9.375 1.00 0.00 H new ATOM 583 N PHE A 34 -3.716 -4.475 11.601 1.00 0.00 N ATOM 584 CA PHE A 34 -3.523 -3.071 11.248 1.00 0.00 C ATOM 585 C PHE A 34 -4.133 -2.754 9.882 1.00 0.00 C ATOM 586 O PHE A 34 -4.040 -3.546 8.945 1.00 0.00 O ATOM 587 CB PHE A 34 -2.025 -2.731 11.285 1.00 0.00 C ATOM 588 CG PHE A 34 -1.390 -2.974 12.641 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.537 -2.025 13.669 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.704 -4.177 12.893 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.001 -2.280 14.944 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.163 -4.428 14.165 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.310 -3.480 15.191 1.00 0.00 C ATOM 0 H PHE A 34 -3.514 -5.109 10.828 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.040 -2.450 11.979 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.505 -3.328 10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.890 -1.685 11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.062 -1.100 13.479 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.593 -4.909 12.107 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.120 -1.554 15.734 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.366 -5.350 14.354 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.107 -3.672 16.168 1.00 0.00 H new ATOM 603 N MET A 35 -4.727 -1.566 9.777 1.00 0.00 N ATOM 604 CA MET A 35 -5.223 -0.954 8.543 1.00 0.00 C ATOM 605 C MET A 35 -4.386 0.285 8.223 1.00 0.00 C ATOM 606 O MET A 35 -3.822 0.908 9.127 1.00 0.00 O ATOM 607 CB MET A 35 -6.706 -0.571 8.675 1.00 0.00 C ATOM 608 CG MET A 35 -7.578 -1.720 9.196 1.00 0.00 C ATOM 609 SD MET A 35 -9.363 -1.424 9.102 1.00 0.00 S ATOM 610 CE MET A 35 -9.615 -1.673 7.326 1.00 0.00 C ATOM 0 H MET A 35 -4.884 -0.973 10.592 1.00 0.00 H new ATOM 0 HA MET A 35 -5.135 -1.677 7.732 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.797 0.281 9.349 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.080 -0.250 7.703 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.343 -2.621 8.629 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.311 -1.918 10.234 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.176 -0.833 6.917 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.648 -1.741 6.827 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.172 -2.595 7.163 1.00 0.00 H new ATOM 620 N CYS A 36 -4.302 0.649 6.948 1.00 0.00 N ATOM 621 CA CYS A 36 -3.496 1.767 6.470 1.00 0.00 C ATOM 622 C CYS A 36 -4.149 2.460 5.268 1.00 0.00 C ATOM 623 O CYS A 36 -4.770 1.811 4.425 1.00 0.00 O ATOM 624 CB CYS A 36 -2.091 1.234 6.155 1.00 0.00 C ATOM 625 SG CYS A 36 -0.999 2.597 5.667 1.00 0.00 S ATOM 0 H CYS A 36 -4.803 0.165 6.202 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.422 2.536 7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.683 0.726 7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.145 0.497 5.354 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.363 3.685 6.279 1.00 0.00 H new ATOM 631 N GLU A 37 -3.958 3.774 5.178 1.00 0.00 N ATOM 632 CA GLU A 37 -4.371 4.624 4.070 1.00 0.00 C ATOM 633 C GLU A 37 -3.168 5.452 3.588 1.00 0.00 C ATOM 634 O GLU A 37 -2.307 5.808 4.394 1.00 0.00 O ATOM 635 CB GLU A 37 -5.514 5.559 4.499 1.00 0.00 C ATOM 636 CG GLU A 37 -6.759 4.855 5.065 1.00 0.00 C ATOM 637 CD GLU A 37 -6.696 4.658 6.590 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.809 5.663 7.331 1.00 0.00 O ATOM 639 OE2 GLU A 37 -6.584 3.500 7.055 1.00 0.00 O ATOM 0 H GLU A 37 -3.487 4.299 5.915 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.732 3.994 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.134 6.250 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.814 6.158 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.645 5.439 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.871 3.884 4.583 1.00 0.00 H new ATOM 646 N VAL A 38 -3.113 5.789 2.296 1.00 0.00 N ATOM 647 CA VAL A 38 -2.055 6.628 1.702 1.00 0.00 C ATOM 648 C VAL A 38 -2.615 7.609 0.667 1.00 0.00 C ATOM 649 O VAL A 38 -3.542 7.281 -0.077 1.00 0.00 O ATOM 650 CB VAL A 38 -0.899 5.778 1.119 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.292 5.025 -0.159 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.351 6.622 0.813 1.00 0.00 C ATOM 0 H VAL A 38 -3.811 5.484 1.618 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.635 7.224 2.513 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.672 5.054 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.440 4.448 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.121 4.351 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.595 5.740 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.133 5.980 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.100 7.394 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.707 7.091 1.730 1.00 0.00 H new ATOM 662 N ARG A 39 -2.029 8.810 0.637 1.00 0.00 N ATOM 663 CA ARG A 39 -2.359 9.921 -0.265 1.00 0.00 C ATOM 664 C ARG A 39 -1.077 10.584 -0.800 1.00 0.00 C ATOM 665 O ARG A 39 0.010 10.390 -0.254 1.00 0.00 O ATOM 666 CB ARG A 39 -3.221 10.961 0.482 1.00 0.00 C ATOM 667 CG ARG A 39 -4.535 10.395 1.043 1.00 0.00 C ATOM 668 CD ARG A 39 -5.394 11.513 1.645 1.00 0.00 C ATOM 669 NE ARG A 39 -6.597 10.970 2.301 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.666 11.660 2.687 1.00 0.00 C ATOM 671 NH1 ARG A 39 -7.756 12.964 2.519 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.674 11.037 3.258 1.00 0.00 N ATOM 0 H ARG A 39 -1.270 9.047 1.276 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.922 9.528 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.638 11.380 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.451 11.782 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.088 9.892 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.318 9.646 1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.806 12.077 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.688 12.211 0.861 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.611 9.965 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.990 13.476 2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.591 13.461 2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.634 10.028 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.496 11.563 3.556 1.00 0.00 H new ATOM 686 N VAL A 40 -1.213 11.402 -1.844 1.00 0.00 N ATOM 687 CA VAL A 40 -0.144 12.228 -2.442 1.00 0.00 C ATOM 688 C VAL A 40 -0.733 13.605 -2.774 1.00 0.00 C ATOM 689 O VAL A 40 -1.867 13.691 -3.246 1.00 0.00 O ATOM 690 CB VAL A 40 0.457 11.569 -3.712 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.587 12.420 -4.316 1.00 0.00 C ATOM 692 CG2 VAL A 40 1.032 10.168 -3.432 1.00 0.00 C ATOM 0 H VAL A 40 -2.106 11.518 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 40 0.673 12.326 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.374 11.490 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.981 11.924 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.197 13.400 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.384 12.539 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.440 9.751 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.823 10.242 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.241 9.518 -3.059 1.00 0.00 H new ATOM 702 N GLU A 41 0.019 14.675 -2.499 1.00 0.00 N ATOM 703 CA GLU A 41 -0.414 16.060 -2.721 1.00 0.00 C ATOM 704 C GLU A 41 -0.774 16.315 -4.198 1.00 0.00 C ATOM 705 O GLU A 41 0.006 16.008 -5.104 1.00 0.00 O ATOM 706 CB GLU A 41 0.682 17.022 -2.230 1.00 0.00 C ATOM 707 CG GLU A 41 0.229 18.488 -2.258 1.00 0.00 C ATOM 708 CD GLU A 41 1.301 19.410 -1.656 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.272 19.656 -0.427 1.00 0.00 O ATOM 710 OE2 GLU A 41 2.174 19.905 -2.409 1.00 0.00 O ATOM 0 H GLU A 41 0.959 14.604 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.323 16.240 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.969 16.753 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.569 16.907 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.022 18.788 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.702 18.595 -1.701 1.00 0.00 H new ATOM 717 N GLY A 42 -1.968 16.871 -4.439 1.00 0.00 N ATOM 718 CA GLY A 42 -2.512 17.137 -5.780 1.00 0.00 C ATOM 719 C GLY A 42 -3.421 16.032 -6.336 1.00 0.00 C ATOM 720 O GLY A 42 -3.934 16.185 -7.445 1.00 0.00 O ATOM 0 H GLY A 42 -2.599 17.156 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.075 18.070 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.682 17.287 -6.470 1.00 0.00 H new ATOM 724 N PHE A 43 -3.653 14.953 -5.577 1.00 0.00 N ATOM 725 CA PHE A 43 -4.532 13.834 -5.942 1.00 0.00 C ATOM 726 C PHE A 43 -5.624 13.636 -4.879 1.00 0.00 C ATOM 727 O PHE A 43 -5.336 13.562 -3.683 1.00 0.00 O ATOM 728 CB PHE A 43 -3.692 12.560 -6.127 1.00 0.00 C ATOM 729 CG PHE A 43 -2.630 12.662 -7.207 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.338 13.120 -6.883 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.935 12.336 -8.543 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.363 13.257 -7.885 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.955 12.466 -9.545 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.669 12.928 -9.216 1.00 0.00 C ATOM 0 H PHE A 43 -3.220 14.831 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.031 14.059 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.209 12.317 -5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.358 11.731 -6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.096 13.367 -5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.924 11.985 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.624 13.616 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.191 12.211 -10.567 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.082 13.030 -9.985 1.00 0.00 H new ATOM 744 N ASN A 44 -6.883 13.553 -5.318 1.00 0.00 N ATOM 745 CA ASN A 44 -8.057 13.471 -4.434 1.00 0.00 C ATOM 746 C ASN A 44 -8.308 12.054 -3.866 1.00 0.00 C ATOM 747 O ASN A 44 -8.967 11.902 -2.835 1.00 0.00 O ATOM 748 CB ASN A 44 -9.274 13.991 -5.221 1.00 0.00 C ATOM 749 CG ASN A 44 -10.540 14.072 -4.372 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.429 13.233 -4.466 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.663 15.082 -3.527 1.00 0.00 N ATOM 0 H ASN A 44 -7.122 13.540 -6.309 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.874 14.088 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.047 14.979 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.456 13.337 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.500 15.165 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.921 15.778 -3.452 1.00 0.00 H new ATOM 758 N TYR A 45 -7.771 11.014 -4.513 1.00 0.00 N ATOM 759 CA TYR A 45 -7.911 9.613 -4.101 1.00 0.00 C ATOM 760 C TYR A 45 -7.121 9.271 -2.822 1.00 0.00 C ATOM 761 O TYR A 45 -6.133 9.928 -2.484 1.00 0.00 O ATOM 762 CB TYR A 45 -7.482 8.718 -5.271 1.00 0.00 C ATOM 763 CG TYR A 45 -7.823 7.246 -5.116 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.152 6.819 -5.305 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.824 6.303 -4.800 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.482 5.455 -5.197 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.147 4.936 -4.690 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.477 4.507 -4.901 1.00 0.00 C ATOM 769 OH TYR A 45 -8.785 3.181 -4.844 1.00 0.00 O ATOM 0 H TYR A 45 -7.213 11.126 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.957 9.436 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.950 9.089 -6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.404 8.813 -5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.921 7.542 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.807 6.630 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.503 5.133 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.379 4.217 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.979 2.667 -4.630 1.00 0.00 H new ATOM 779 N ALA A 46 -7.535 8.201 -2.138 1.00 0.00 N ATOM 780 CA ALA A 46 -6.810 7.587 -1.029 1.00 0.00 C ATOM 781 C ALA A 46 -6.781 6.061 -1.214 1.00 0.00 C ATOM 782 O ALA A 46 -7.830 5.411 -1.206 1.00 0.00 O ATOM 783 CB ALA A 46 -7.475 8.010 0.289 1.00 0.00 C ATOM 0 H ALA A 46 -8.412 7.725 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.774 7.925 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.943 7.558 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.442 9.096 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.513 7.677 0.296 1.00 0.00 H new ATOM 789 N GLY A 47 -5.579 5.498 -1.383 1.00 0.00 N ATOM 790 CA GLY A 47 -5.360 4.053 -1.487 1.00 0.00 C ATOM 791 C GLY A 47 -5.309 3.433 -0.098 1.00 0.00 C ATOM 792 O GLY A 47 -4.794 4.063 0.830 1.00 0.00 O ATOM 0 H GLY A 47 -4.719 6.043 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.161 3.596 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.428 3.855 -2.017 1.00 0.00 H new ATOM 796 N MET A 48 -5.843 2.221 0.059 1.00 0.00 N ATOM 797 CA MET A 48 -6.071 1.595 1.369 1.00 0.00 C ATOM 798 C MET A 48 -5.695 0.108 1.395 1.00 0.00 C ATOM 799 O MET A 48 -5.875 -0.615 0.413 1.00 0.00 O ATOM 800 CB MET A 48 -7.535 1.786 1.796 1.00 0.00 C ATOM 801 CG MET A 48 -7.972 3.256 1.789 1.00 0.00 C ATOM 802 SD MET A 48 -9.571 3.570 2.575 1.00 0.00 S ATOM 803 CE MET A 48 -9.694 5.340 2.220 1.00 0.00 C ATOM 0 H MET A 48 -6.134 1.638 -0.726 1.00 0.00 H new ATOM 0 HA MET A 48 -5.413 2.094 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.180 1.217 1.127 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.673 1.376 2.797 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.211 3.850 2.294 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.015 3.604 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.626 5.729 2.629 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.852 5.862 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.678 5.497 1.141 1.00 0.00 H new ATOM 813 N GLY A 49 -5.165 -0.339 2.537 1.00 0.00 N ATOM 814 CA GLY A 49 -4.715 -1.710 2.796 1.00 0.00 C ATOM 815 C GLY A 49 -4.919 -2.151 4.244 1.00 0.00 C ATOM 816 O GLY A 49 -5.213 -1.336 5.116 1.00 0.00 O ATOM 0 H GLY A 49 -5.032 0.272 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.253 -2.392 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.658 -1.791 2.545 1.00 0.00 H new ATOM 820 N ASN A 50 -4.738 -3.446 4.505 1.00 0.00 N ATOM 821 CA ASN A 50 -4.783 -4.034 5.850 1.00 0.00 C ATOM 822 C ASN A 50 -4.033 -5.376 5.923 1.00 0.00 C ATOM 823 O ASN A 50 -3.926 -6.086 4.921 1.00 0.00 O ATOM 824 CB ASN A 50 -6.236 -4.156 6.350 1.00 0.00 C ATOM 825 CG ASN A 50 -7.056 -5.187 5.581 1.00 0.00 C ATOM 826 OD1 ASN A 50 -7.047 -6.372 5.891 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.797 -4.770 4.568 1.00 0.00 N ATOM 0 H ASN A 50 -4.552 -4.132 3.774 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.259 -3.354 6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.228 -4.424 7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.722 -3.184 6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.363 -5.436 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.802 -3.783 4.312 1.00 0.00 H new ATOM 834 N SER A 51 -3.509 -5.724 7.100 1.00 0.00 N ATOM 835 CA SER A 51 -2.704 -6.934 7.340 1.00 0.00 C ATOM 836 C SER A 51 -2.473 -7.194 8.844 1.00 0.00 C ATOM 837 O SER A 51 -2.991 -6.469 9.699 1.00 0.00 O ATOM 838 CB SER A 51 -1.364 -6.818 6.589 1.00 0.00 C ATOM 839 OG SER A 51 -0.752 -8.089 6.467 1.00 0.00 O ATOM 0 H SER A 51 -3.634 -5.159 7.940 1.00 0.00 H new ATOM 0 HA SER A 51 -3.260 -7.791 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.531 -6.392 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.700 -6.138 7.122 1.00 0.00 H new ATOM 0 HG SER A 51 -0.068 -8.057 5.766 1.00 0.00 H new ATOM 845 N THR A 52 -1.670 -8.210 9.184 1.00 0.00 N ATOM 846 CA THR A 52 -1.215 -8.528 10.551 1.00 0.00 C ATOM 847 C THR A 52 -0.076 -7.629 11.037 1.00 0.00 C ATOM 848 O THR A 52 0.254 -7.654 12.221 1.00 0.00 O ATOM 849 CB THR A 52 -0.787 -9.999 10.641 1.00 0.00 C ATOM 850 OG1 THR A 52 0.152 -10.268 9.619 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.981 -10.943 10.478 1.00 0.00 C ATOM 0 H THR A 52 -1.303 -8.861 8.490 1.00 0.00 H new ATOM 0 HA THR A 52 -2.066 -8.343 11.206 1.00 0.00 H new ATOM 0 HB THR A 52 -0.350 -10.167 11.625 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.432 -11.206 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.640 -11.976 10.547 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.709 -10.748 11.265 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.445 -10.778 9.505 1.00 0.00 H new ATOM 859 N ASN A 53 0.507 -6.816 10.149 1.00 0.00 N ATOM 860 CA ASN A 53 1.651 -5.939 10.419 1.00 0.00 C ATOM 861 C ASN A 53 1.516 -4.596 9.682 1.00 0.00 C ATOM 862 O ASN A 53 1.038 -4.531 8.547 1.00 0.00 O ATOM 863 CB ASN A 53 2.953 -6.638 9.996 1.00 0.00 C ATOM 864 CG ASN A 53 3.321 -7.822 10.887 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.996 -7.668 11.899 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.917 -9.030 10.536 1.00 0.00 N ATOM 0 H ASN A 53 0.182 -6.749 9.185 1.00 0.00 H new ATOM 0 HA ASN A 53 1.675 -5.734 11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.854 -6.984 8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.767 -5.914 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.167 -9.837 11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.356 -9.155 9.694 1.00 0.00 H new ATOM 873 N LYS A 54 1.998 -3.518 10.310 1.00 0.00 N ATOM 874 CA LYS A 54 1.950 -2.144 9.776 1.00 0.00 C ATOM 875 C LYS A 54 2.717 -1.973 8.451 1.00 0.00 C ATOM 876 O LYS A 54 2.335 -1.158 7.608 1.00 0.00 O ATOM 877 CB LYS A 54 2.514 -1.180 10.837 1.00 0.00 C ATOM 878 CG LYS A 54 1.625 -1.070 12.086 1.00 0.00 C ATOM 879 CD LYS A 54 2.200 -0.034 13.061 1.00 0.00 C ATOM 880 CE LYS A 54 1.325 0.064 14.316 1.00 0.00 C ATOM 881 NZ LYS A 54 1.864 1.050 15.290 1.00 0.00 N ATOM 0 H LYS A 54 2.444 -3.573 11.226 1.00 0.00 H new ATOM 0 HA LYS A 54 0.907 -1.917 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.507 -1.517 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.632 -0.191 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.614 -0.785 11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.554 -2.041 12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.216 -0.313 13.340 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.259 0.939 12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.312 0.350 14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.258 -0.915 14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.245 1.087 16.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.820 0.763 15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.904 1.990 14.846 1.00 0.00 H new ATOM 895 N LYS A 55 3.786 -2.744 8.243 1.00 0.00 N ATOM 896 CA LYS A 55 4.618 -2.712 7.028 1.00 0.00 C ATOM 897 C LYS A 55 3.862 -3.249 5.801 1.00 0.00 C ATOM 898 O LYS A 55 3.830 -2.617 4.745 1.00 0.00 O ATOM 899 CB LYS A 55 5.891 -3.538 7.288 1.00 0.00 C ATOM 900 CG LYS A 55 6.794 -2.922 8.370 1.00 0.00 C ATOM 901 CD LYS A 55 7.974 -3.848 8.694 1.00 0.00 C ATOM 902 CE LYS A 55 8.794 -3.266 9.854 1.00 0.00 C ATOM 903 NZ LYS A 55 9.879 -4.189 10.271 1.00 0.00 N ATOM 0 H LYS A 55 4.109 -3.426 8.929 1.00 0.00 H new ATOM 0 HA LYS A 55 4.880 -1.678 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.608 -4.547 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.455 -3.629 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.168 -1.956 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.212 -2.739 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.607 -4.840 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.606 -3.967 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.224 -2.310 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.138 -3.068 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.413 -3.765 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.467 -5.092 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.519 -4.358 9.469 1.00 0.00 H new ATOM 917 N ASP A 56 3.184 -4.386 5.960 1.00 0.00 N ATOM 918 CA ASP A 56 2.399 -5.016 4.896 1.00 0.00 C ATOM 919 C ASP A 56 1.053 -4.304 4.676 1.00 0.00 C ATOM 920 O ASP A 56 0.562 -4.249 3.551 1.00 0.00 O ATOM 921 CB ASP A 56 2.225 -6.503 5.226 1.00 0.00 C ATOM 922 CG ASP A 56 1.679 -7.298 4.029 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.403 -7.430 3.014 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.542 -7.813 4.128 1.00 0.00 O ATOM 0 H ASP A 56 3.164 -4.901 6.840 1.00 0.00 H new ATOM 0 HA ASP A 56 2.934 -4.925 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.184 -6.921 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.546 -6.610 6.072 1.00 0.00 H new ATOM 929 N ALA A 57 0.499 -3.666 5.715 1.00 0.00 N ATOM 930 CA ALA A 57 -0.669 -2.788 5.582 1.00 0.00 C ATOM 931 C ALA A 57 -0.351 -1.547 4.723 1.00 0.00 C ATOM 932 O ALA A 57 -1.108 -1.233 3.803 1.00 0.00 O ATOM 933 CB ALA A 57 -1.181 -2.419 6.982 1.00 0.00 C ATOM 0 H ALA A 57 0.848 -3.744 6.670 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.462 -3.317 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.049 -1.766 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.463 -3.326 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.395 -1.902 7.533 1.00 0.00 H new ATOM 939 N GLN A 58 0.795 -0.894 4.961 1.00 0.00 N ATOM 940 CA GLN A 58 1.307 0.192 4.111 1.00 0.00 C ATOM 941 C GLN A 58 1.601 -0.284 2.686 1.00 0.00 C ATOM 942 O GLN A 58 1.312 0.433 1.733 1.00 0.00 O ATOM 943 CB GLN A 58 2.596 0.777 4.706 1.00 0.00 C ATOM 944 CG GLN A 58 2.362 1.708 5.902 1.00 0.00 C ATOM 945 CD GLN A 58 3.678 2.063 6.590 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.348 3.035 6.262 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.110 1.268 7.545 1.00 0.00 N ATOM 0 H GLN A 58 1.398 -1.106 5.756 1.00 0.00 H new ATOM 0 HA GLN A 58 0.528 0.953 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.245 -0.042 5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.126 1.327 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.867 2.619 5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.694 1.227 6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.557 0.457 7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.998 1.462 8.008 1.00 0.00 H new ATOM 956 N SER A 59 2.137 -1.493 2.515 1.00 0.00 N ATOM 957 CA SER A 59 2.413 -2.053 1.183 1.00 0.00 C ATOM 958 C SER A 59 1.129 -2.294 0.376 1.00 0.00 C ATOM 959 O SER A 59 1.093 -2.035 -0.828 1.00 0.00 O ATOM 960 CB SER A 59 3.208 -3.358 1.310 1.00 0.00 C ATOM 961 OG SER A 59 4.450 -3.142 1.965 1.00 0.00 O ATOM 0 H SER A 59 2.392 -2.110 3.286 1.00 0.00 H new ATOM 0 HA SER A 59 3.006 -1.317 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.623 -4.090 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.384 -3.777 0.319 1.00 0.00 H new ATOM 0 HG SER A 59 5.179 -3.481 1.404 1.00 0.00 H new ATOM 967 N ASN A 60 0.040 -2.709 1.034 1.00 0.00 N ATOM 968 CA ASN A 60 -1.274 -2.845 0.398 1.00 0.00 C ATOM 969 C ASN A 60 -1.915 -1.475 0.100 1.00 0.00 C ATOM 970 O ASN A 60 -2.511 -1.301 -0.964 1.00 0.00 O ATOM 971 CB ASN A 60 -2.190 -3.726 1.262 1.00 0.00 C ATOM 972 CG ASN A 60 -1.922 -5.215 1.058 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.404 -5.825 0.110 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.169 -5.844 1.939 1.00 0.00 N ATOM 0 H ASN A 60 0.046 -2.960 2.023 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.135 -3.335 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.047 -3.474 2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.231 -3.510 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.986 -6.842 1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.770 -5.333 2.726 1.00 0.00 H new ATOM 981 N ALA A 61 -1.740 -0.477 0.978 1.00 0.00 N ATOM 982 CA ALA A 61 -2.182 0.899 0.722 1.00 0.00 C ATOM 983 C ALA A 61 -1.448 1.513 -0.482 1.00 0.00 C ATOM 984 O ALA A 61 -2.085 2.098 -1.359 1.00 0.00 O ATOM 985 CB ALA A 61 -1.990 1.728 1.999 1.00 0.00 C ATOM 0 H ALA A 61 -1.289 -0.602 1.884 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.240 0.897 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.315 2.753 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.581 1.295 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.937 1.726 2.279 1.00 0.00 H new ATOM 991 N ALA A 62 -0.129 1.310 -0.569 1.00 0.00 N ATOM 992 CA ALA A 62 0.697 1.736 -1.696 1.00 0.00 C ATOM 993 C ALA A 62 0.273 1.048 -2.999 1.00 0.00 C ATOM 994 O ALA A 62 0.016 1.734 -3.990 1.00 0.00 O ATOM 995 CB ALA A 62 2.164 1.465 -1.348 1.00 0.00 C ATOM 0 H ALA A 62 0.402 0.834 0.160 1.00 0.00 H new ATOM 0 HA ALA A 62 0.562 2.804 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.798 1.777 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.435 2.026 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.304 0.400 -1.165 1.00 0.00 H new ATOM 1001 N ARG A 63 0.111 -0.283 -2.986 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.397 -1.064 -4.123 1.00 0.00 C ATOM 1003 C ARG A 63 -1.720 -0.498 -4.651 1.00 0.00 C ATOM 1004 O ARG A 63 -1.867 -0.333 -5.860 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.542 -2.540 -3.698 1.00 0.00 C ATOM 1006 CG ARG A 63 -1.019 -3.501 -4.801 1.00 0.00 C ATOM 1007 CD ARG A 63 -0.010 -3.707 -5.940 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.552 -4.651 -6.935 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.102 -5.222 -7.941 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.382 -5.012 -8.163 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.541 -6.032 -8.753 1.00 0.00 N ATOM 0 H ARG A 63 0.333 -0.856 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 63 0.316 -0.999 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.421 -2.890 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.243 -2.593 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.244 -4.468 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.950 -3.120 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.212 -2.752 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.929 -4.089 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.538 -4.892 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.911 -4.390 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.846 -5.471 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.533 -6.217 -8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.047 -6.475 -9.528 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.654 -0.148 -3.769 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.975 0.376 -4.138 1.00 0.00 C ATOM 1027 C ASP A 64 -3.922 1.813 -4.698 1.00 0.00 C ATOM 1028 O ASP A 64 -4.643 2.128 -5.647 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.889 0.261 -2.910 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.371 0.528 -3.218 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.895 -0.031 -4.211 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -7.007 1.258 -2.425 1.00 0.00 O ATOM 0 H ASP A 64 -2.516 -0.220 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.378 -0.219 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.789 -0.738 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.552 0.966 -2.150 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.018 2.664 -4.186 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.795 4.012 -4.726 1.00 0.00 C ATOM 1039 C PHE A 65 -2.014 3.988 -6.049 1.00 0.00 C ATOM 1040 O PHE A 65 -2.346 4.734 -6.966 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.099 4.900 -3.687 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.103 6.372 -4.065 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.168 7.202 -3.665 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.072 6.908 -4.859 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.209 8.550 -4.064 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.112 8.258 -5.253 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.183 9.077 -4.862 1.00 0.00 C ATOM 0 H PHE A 65 -2.424 2.437 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.773 4.439 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.593 4.777 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.069 4.565 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.958 6.801 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.248 6.281 -5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.031 9.179 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.316 8.666 -5.858 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.217 10.110 -5.175 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.032 3.097 -6.202 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.329 2.882 -7.483 1.00 0.00 C ATOM 1059 C VAL A 66 -1.307 2.374 -8.544 1.00 0.00 C ATOM 1060 O VAL A 66 -1.307 2.863 -9.672 1.00 0.00 O ATOM 1061 CB VAL A 66 0.862 1.913 -7.321 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.486 1.507 -8.665 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.948 2.576 -6.469 1.00 0.00 C ATOM 0 H VAL A 66 -0.697 2.501 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 66 0.075 3.840 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 66 0.474 1.014 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.318 0.825 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.735 1.011 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.848 2.396 -9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.789 1.892 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.287 3.489 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.542 2.819 -5.487 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.212 1.468 -8.167 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.313 1.046 -9.044 1.00 0.00 C ATOM 1075 C ASN A 67 -4.259 2.203 -9.413 1.00 0.00 C ATOM 1076 O ASN A 67 -4.771 2.230 -10.529 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.069 -0.153 -8.446 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.423 -1.471 -8.864 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -3.811 -2.086 -9.850 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -2.409 -1.928 -8.155 1.00 0.00 N ATOM 0 H ASN A 67 -2.206 1.009 -7.256 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.864 0.720 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.077 -0.077 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.108 -0.133 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.946 -2.795 -8.427 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.088 -1.414 -7.335 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.473 3.207 -8.554 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.160 4.453 -8.942 1.00 0.00 C ATOM 1089 C TYR A 68 -4.340 5.272 -9.953 1.00 0.00 C ATOM 1090 O TYR A 68 -4.880 5.675 -10.982 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.539 5.266 -7.697 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.756 6.747 -7.948 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.948 7.203 -8.541 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.744 7.667 -7.609 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.140 8.578 -8.778 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.927 9.041 -7.846 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.134 9.504 -8.415 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.334 10.840 -8.593 1.00 0.00 O ATOM 0 H TYR A 68 -4.179 3.183 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.084 4.186 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.450 4.847 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.753 5.149 -6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.718 6.497 -8.815 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.824 7.316 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.054 8.925 -9.236 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.145 9.742 -7.593 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.665 11.342 -8.082 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.028 5.429 -9.738 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.135 6.121 -10.677 1.00 0.00 C ATOM 1110 C LEU A 69 -2.073 5.436 -12.054 1.00 0.00 C ATOM 1111 O LEU A 69 -1.992 6.126 -13.068 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.733 6.264 -10.067 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.625 7.127 -8.793 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.801 6.985 -8.244 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.965 8.598 -9.074 1.00 0.00 C ATOM 0 H LEU A 69 -2.554 5.079 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.552 7.114 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.357 5.267 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.073 6.687 -10.824 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.348 6.780 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.905 7.587 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.998 5.939 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.515 7.328 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.878 9.174 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.274 8.996 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.985 8.670 -9.452 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.186 4.106 -12.112 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.360 3.344 -13.368 1.00 0.00 C ATOM 1129 C VAL A 70 -3.732 3.615 -14.000 1.00 0.00 C ATOM 1130 O VAL A 70 -3.809 3.871 -15.201 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.162 1.823 -13.155 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.502 0.993 -14.405 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.712 1.510 -12.762 1.00 0.00 C ATOM 0 H VAL A 70 -2.160 3.514 -11.282 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.587 3.690 -14.053 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.849 1.548 -12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.344 -0.065 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.545 1.156 -14.678 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.859 1.298 -15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.598 0.436 -12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.041 1.843 -13.553 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.466 2.028 -11.835 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.805 3.619 -13.196 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.178 3.909 -13.657 1.00 0.00 C ATOM 1145 C ARG A 71 -6.355 5.336 -14.212 1.00 0.00 C ATOM 1146 O ARG A 71 -7.243 5.554 -15.039 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.197 3.626 -12.535 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.480 2.122 -12.364 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.382 1.825 -11.156 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.665 1.988 -9.873 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.208 2.013 -8.657 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -9.508 1.902 -8.477 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.455 2.149 -7.585 1.00 0.00 N ATOM 0 H ARG A 71 -4.748 3.420 -12.197 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.367 3.237 -14.494 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.821 4.031 -11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.130 4.146 -12.755 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.953 1.740 -13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.536 1.589 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.245 2.491 -11.176 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.764 0.807 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.652 2.092 -9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.127 1.794 -9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.896 1.924 -7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.443 2.237 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.884 2.167 -6.660 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.491 6.289 -13.836 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.432 7.654 -14.415 1.00 0.00 C ATOM 1169 C ILE A 72 -4.249 7.875 -15.381 1.00 0.00 C ATOM 1170 O ILE A 72 -4.023 9.000 -15.824 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.516 8.743 -13.314 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.271 8.784 -12.402 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.803 8.563 -12.484 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.119 10.099 -11.631 1.00 0.00 C ATOM 0 H ILE A 72 -4.795 6.137 -13.106 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.319 7.752 -15.040 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.548 9.706 -13.823 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.324 7.960 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.380 8.624 -13.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.850 9.333 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.672 8.648 -13.137 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.798 7.580 -12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.223 10.056 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.033 10.926 -12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.992 10.252 -10.997 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.489 6.822 -15.707 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.388 6.806 -16.690 1.00 0.00 C ATOM 1188 C ASN A 73 -1.144 7.641 -16.282 1.00 0.00 C ATOM 1189 O ASN A 73 -0.323 8.008 -17.124 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.933 7.143 -18.095 1.00 0.00 C ATOM 1191 CG ASN A 73 -1.992 6.731 -19.230 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.334 5.697 -19.186 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -1.912 7.521 -20.287 1.00 0.00 N ATOM 0 H ASN A 73 -3.629 5.910 -15.273 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.994 5.790 -16.715 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.894 6.647 -18.232 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.117 8.216 -18.157 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.303 7.271 -21.066 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.459 8.381 -20.324 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.976 7.917 -14.982 1.00 0.00 N ATOM 1201 CA GLU A 74 0.196 8.594 -14.398 1.00 0.00 C ATOM 1202 C GLU A 74 1.312 7.614 -13.963 1.00 0.00 C ATOM 1203 O GLU A 74 2.410 8.039 -13.598 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.253 9.491 -13.231 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.104 10.692 -13.672 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.349 11.642 -14.617 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.770 12.083 -14.263 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.874 11.965 -15.708 1.00 0.00 O ATOM 0 H GLU A 74 -1.674 7.668 -14.282 1.00 0.00 H new ATOM 0 HA GLU A 74 0.640 9.212 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.824 8.892 -12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.628 9.855 -12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.004 10.331 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.428 11.245 -12.791 1.00 0.00 H new ATOM 1215 N VAL A 75 1.051 6.303 -14.049 1.00 0.00 N ATOM 1216 CA VAL A 75 2.014 5.195 -13.912 1.00 0.00 C ATOM 1217 C VAL A 75 1.721 4.180 -15.023 1.00 0.00 C ATOM 1218 O VAL A 75 0.559 3.859 -15.272 1.00 0.00 O ATOM 1219 CB VAL A 75 1.903 4.499 -12.530 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.789 3.249 -12.436 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.355 5.392 -11.370 1.00 0.00 C ATOM 0 H VAL A 75 0.106 5.964 -14.227 1.00 0.00 H new ATOM 0 HA VAL A 75 3.026 5.592 -13.993 1.00 0.00 H new ATOM 0 HB VAL A 75 0.844 4.255 -12.449 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.677 2.797 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.489 2.532 -13.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.831 3.529 -12.590 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.253 4.848 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.398 5.676 -11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.736 6.289 -11.339 1.00 0.00 H new ATOM 1231 N LYS A 76 2.760 3.655 -15.680 1.00 0.00 N ATOM 1232 CA LYS A 76 2.629 2.513 -16.599 1.00 0.00 C ATOM 1233 C LYS A 76 2.655 1.202 -15.803 1.00 0.00 C ATOM 1234 O LYS A 76 3.596 0.948 -15.049 1.00 0.00 O ATOM 1235 CB LYS A 76 3.755 2.525 -17.650 1.00 0.00 C ATOM 1236 CG LYS A 76 3.757 3.796 -18.515 1.00 0.00 C ATOM 1237 CD LYS A 76 4.859 3.727 -19.584 1.00 0.00 C ATOM 1238 CE LYS A 76 4.948 5.012 -20.422 1.00 0.00 C ATOM 1239 NZ LYS A 76 3.771 5.200 -21.313 1.00 0.00 N ATOM 0 H LYS A 76 3.714 4.006 -15.592 1.00 0.00 H new ATOM 0 HA LYS A 76 1.677 2.594 -17.123 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.717 2.435 -17.145 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.651 1.653 -18.296 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.786 3.916 -18.995 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.911 4.671 -17.883 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.819 3.545 -19.100 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.669 2.880 -20.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.035 5.870 -19.755 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.855 4.985 -21.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.883 6.081 -21.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.701 4.396 -21.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.906 5.254 -20.738 1.00 0.00 H new ATOM 1253 N SER A 77 1.659 0.337 -15.983 1.00 0.00 N ATOM 1254 CA SER A 77 1.536 -0.934 -15.245 1.00 0.00 C ATOM 1255 C SER A 77 2.779 -1.833 -15.372 1.00 0.00 C ATOM 1256 O SER A 77 3.176 -2.478 -14.399 1.00 0.00 O ATOM 1257 CB SER A 77 0.287 -1.687 -15.718 1.00 0.00 C ATOM 1258 OG SER A 77 0.283 -1.834 -17.135 1.00 0.00 O ATOM 0 H SER A 77 0.903 0.493 -16.650 1.00 0.00 H new ATOM 0 HA SER A 77 1.446 -0.681 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.251 -2.669 -15.247 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.607 -1.149 -15.402 1.00 0.00 H new ATOM 0 HG SER A 77 -0.523 -2.319 -17.411 1.00 0.00 H new ATOM 1264 N GLU A 78 3.468 -1.786 -16.518 1.00 0.00 N ATOM 1265 CA GLU A 78 4.683 -2.562 -16.806 1.00 0.00 C ATOM 1266 C GLU A 78 5.853 -2.255 -15.847 1.00 0.00 C ATOM 1267 O GLU A 78 6.760 -3.077 -15.703 1.00 0.00 O ATOM 1268 CB GLU A 78 5.130 -2.319 -18.258 1.00 0.00 C ATOM 1269 CG GLU A 78 4.068 -2.723 -19.291 1.00 0.00 C ATOM 1270 CD GLU A 78 4.616 -2.600 -20.721 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.522 -1.500 -21.316 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.136 -3.604 -21.264 1.00 0.00 O ATOM 0 H GLU A 78 3.188 -1.189 -17.296 1.00 0.00 H new ATOM 0 HA GLU A 78 4.420 -3.609 -16.656 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.370 -1.263 -18.386 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.045 -2.879 -18.449 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.748 -3.749 -19.107 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.188 -2.090 -19.179 1.00 0.00 H new ATOM 1279 N GLU A 79 5.823 -1.108 -15.158 1.00 0.00 N ATOM 1280 CA GLU A 79 6.831 -0.701 -14.173 1.00 0.00 C ATOM 1281 C GLU A 79 6.497 -1.150 -12.737 1.00 0.00 C ATOM 1282 O GLU A 79 7.375 -1.143 -11.874 1.00 0.00 O ATOM 1283 CB GLU A 79 6.965 0.830 -14.190 1.00 0.00 C ATOM 1284 CG GLU A 79 7.452 1.419 -15.522 1.00 0.00 C ATOM 1285 CD GLU A 79 8.866 0.944 -15.895 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.843 1.349 -15.220 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.016 0.183 -16.879 1.00 0.00 O ATOM 0 H GLU A 79 5.078 -0.420 -15.273 1.00 0.00 H new ATOM 0 HA GLU A 79 7.763 -1.189 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.997 1.268 -13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.656 1.129 -13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.758 1.139 -16.314 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.443 2.507 -15.459 1.00 0.00 H new ATOM 1294 N VAL A 80 5.248 -1.540 -12.466 1.00 0.00 N ATOM 1295 CA VAL A 80 4.729 -1.777 -11.105 1.00 0.00 C ATOM 1296 C VAL A 80 5.201 -3.142 -10.564 1.00 0.00 C ATOM 1297 O VAL A 80 4.928 -4.160 -11.208 1.00 0.00 O ATOM 1298 CB VAL A 80 3.185 -1.685 -11.056 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.654 -1.904 -9.630 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.691 -0.313 -11.550 1.00 0.00 C ATOM 0 H VAL A 80 4.553 -1.704 -13.195 1.00 0.00 H new ATOM 0 HA VAL A 80 5.131 -0.990 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 80 2.807 -2.470 -11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.566 -1.833 -9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.952 -2.892 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.066 -1.143 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.602 -0.280 -11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.105 0.472 -10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.015 -0.159 -12.579 1.00 0.00 H new ATOM 1310 N PRO A 81 5.871 -3.199 -9.393 1.00 0.00 N ATOM 1311 CA PRO A 81 6.336 -4.446 -8.790 1.00 0.00 C ATOM 1312 C PRO A 81 5.212 -5.170 -8.037 1.00 0.00 C ATOM 1313 O PRO A 81 4.267 -4.552 -7.544 1.00 0.00 O ATOM 1314 CB PRO A 81 7.469 -4.033 -7.846 1.00 0.00 C ATOM 1315 CG PRO A 81 7.022 -2.655 -7.369 1.00 0.00 C ATOM 1316 CD PRO A 81 6.330 -2.065 -8.597 1.00 0.00 C ATOM 0 HA PRO A 81 6.674 -5.155 -9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.581 -4.732 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.429 -3.992 -8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.343 -2.724 -6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.868 -2.045 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.493 -1.431 -8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.017 -1.442 -9.169 1.00 0.00 H new ATOM 1324 N ALA A 82 5.343 -6.496 -7.928 1.00 0.00 N ATOM 1325 CA ALA A 82 4.443 -7.386 -7.189 1.00 0.00 C ATOM 1326 C ALA A 82 5.192 -8.191 -6.104 1.00 0.00 C ATOM 1327 O ALA A 82 6.424 -8.243 -6.090 1.00 0.00 O ATOM 1328 CB ALA A 82 3.741 -8.298 -8.209 1.00 0.00 C ATOM 0 H ALA A 82 6.112 -6.999 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 82 3.699 -6.799 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.063 -8.973 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.175 -7.688 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.487 -8.880 -8.751 1.00 0.00 H new ATOM 1334 N VAL A 83 4.445 -8.847 -5.207 1.00 0.00 N ATOM 1335 CA VAL A 83 4.957 -9.616 -4.059 1.00 0.00 C ATOM 1336 C VAL A 83 5.811 -10.850 -4.425 1.00 0.00 C ATOM 1337 O VAL A 83 6.507 -11.394 -3.567 1.00 0.00 O ATOM 1338 CB VAL A 83 3.757 -9.997 -3.155 1.00 0.00 C ATOM 1339 CG1 VAL A 83 3.062 -11.315 -3.539 1.00 0.00 C ATOM 1340 CG2 VAL A 83 4.162 -9.984 -1.684 1.00 0.00 C ATOM 0 H VAL A 83 3.426 -8.859 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 83 5.657 -8.972 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 83 3.005 -9.226 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.235 -11.503 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.681 -11.242 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.778 -12.135 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.304 -10.254 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.966 -10.702 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.505 -8.986 -1.410 1.00 0.00 H new ATOM 1350 N GLY A 84 5.777 -11.285 -5.691 1.00 0.00 N ATOM 1351 CA GLY A 84 6.569 -12.385 -6.244 1.00 0.00 C ATOM 1352 C GLY A 84 6.653 -12.326 -7.771 1.00 0.00 C ATOM 1353 O GLY A 84 6.048 -11.464 -8.414 1.00 0.00 O ATOM 0 H GLY A 84 5.167 -10.858 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.575 -12.353 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.128 -13.335 -5.942 1.00 0.00 H new ATOM 1357 N ILE A 85 7.408 -13.253 -8.356 1.00 0.00 N ATOM 1358 CA ILE A 85 7.594 -13.433 -9.791 1.00 0.00 C ATOM 1359 C ILE A 85 6.470 -14.286 -10.409 1.00 0.00 C ATOM 1360 O ILE A 85 5.800 -15.050 -9.713 1.00 0.00 O ATOM 1361 CB ILE A 85 9.008 -14.017 -10.044 1.00 0.00 C ATOM 1362 CG1 ILE A 85 9.590 -15.019 -9.013 1.00 0.00 C ATOM 1363 CG2 ILE A 85 10.007 -12.856 -10.200 1.00 0.00 C ATOM 1364 CD1 ILE A 85 8.763 -16.292 -8.799 1.00 0.00 C ATOM 0 H ILE A 85 7.935 -13.935 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 85 7.529 -12.468 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 85 8.869 -14.617 -10.943 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.591 -15.306 -9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.696 -14.509 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 85 11.005 -13.256 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.710 -12.232 -11.043 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.014 -12.257 -9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.255 -16.925 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.768 -16.024 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.677 -16.833 -9.741 1.00 0.00 H new ATOM 1376 N VAL A 86 6.260 -14.147 -11.722 1.00 0.00 N ATOM 1377 CA VAL A 86 5.307 -14.923 -12.545 1.00 0.00 C ATOM 1378 C VAL A 86 3.838 -14.625 -12.156 1.00 0.00 C ATOM 1379 O VAL A 86 3.229 -15.393 -11.404 1.00 0.00 O ATOM 1380 CB VAL A 86 5.618 -16.446 -12.547 1.00 0.00 C ATOM 1381 CG1 VAL A 86 4.836 -17.153 -13.668 1.00 0.00 C ATOM 1382 CG2 VAL A 86 7.120 -16.728 -12.749 1.00 0.00 C ATOM 0 H VAL A 86 6.772 -13.458 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 86 5.440 -14.588 -13.574 1.00 0.00 H new ATOM 0 HB VAL A 86 5.316 -16.829 -11.572 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.065 -18.219 -13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.767 -17.010 -13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.121 -16.732 -14.632 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.292 -17.804 -12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.443 -16.314 -13.704 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.689 -16.266 -11.942 1.00 0.00 H new ATOM 1392 N PRO A 87 3.247 -13.514 -12.652 1.00 0.00 N ATOM 1393 CA PRO A 87 1.856 -13.144 -12.382 1.00 0.00 C ATOM 1394 C PRO A 87 0.847 -14.192 -12.891 1.00 0.00 C ATOM 1395 O PRO A 87 1.124 -14.858 -13.895 1.00 0.00 O ATOM 1396 CB PRO A 87 1.636 -11.797 -13.084 1.00 0.00 C ATOM 1397 CG PRO A 87 3.042 -11.215 -13.206 1.00 0.00 C ATOM 1398 CD PRO A 87 3.893 -12.463 -13.426 1.00 0.00 C ATOM 0 HA PRO A 87 1.688 -13.083 -11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.171 -11.927 -14.061 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.983 -11.146 -12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.122 -10.516 -14.039 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.338 -10.674 -12.307 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.939 -12.726 -14.483 1.00 0.00 H new ATOM 0 HD3 PRO A 87 4.918 -12.303 -13.092 1.00 0.00 H new ATOM 1406 N PRO A 88 -0.331 -14.331 -12.247 1.00 0.00 N ATOM 1407 CA PRO A 88 -1.389 -15.233 -12.701 1.00 0.00 C ATOM 1408 C PRO A 88 -2.000 -14.726 -14.024 1.00 0.00 C ATOM 1409 O PRO A 88 -2.265 -13.525 -14.143 1.00 0.00 O ATOM 1410 CB PRO A 88 -2.415 -15.265 -11.561 1.00 0.00 C ATOM 1411 CG PRO A 88 -2.237 -13.911 -10.875 1.00 0.00 C ATOM 1412 CD PRO A 88 -0.743 -13.630 -11.038 1.00 0.00 C ATOM 0 HA PRO A 88 -1.019 -16.236 -12.914 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.429 -15.392 -11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.225 -16.090 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.846 -13.138 -11.345 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.527 -13.950 -9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.555 -12.560 -11.124 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.183 -13.983 -10.172 1.00 0.00 H new ATOM 1420 N PRO A 89 -2.241 -15.607 -15.019 1.00 0.00 N ATOM 1421 CA PRO A 89 -2.634 -15.209 -16.373 1.00 0.00 C ATOM 1422 C PRO A 89 -4.081 -14.697 -16.487 1.00 0.00 C ATOM 1423 O PRO A 89 -4.420 -14.069 -17.489 1.00 0.00 O ATOM 1424 CB PRO A 89 -2.406 -16.455 -17.239 1.00 0.00 C ATOM 1425 CG PRO A 89 -2.620 -17.606 -16.258 1.00 0.00 C ATOM 1426 CD PRO A 89 -2.040 -17.049 -14.960 1.00 0.00 C ATOM 0 HA PRO A 89 -2.039 -14.355 -16.698 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.108 -16.500 -18.072 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.403 -16.471 -17.666 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.675 -17.860 -16.155 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.104 -18.512 -16.577 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.541 -17.478 -14.092 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.981 -17.292 -14.869 1.00 0.00 H new ATOM 1434 N SER A 90 -4.924 -14.917 -15.472 1.00 0.00 N ATOM 1435 CA SER A 90 -6.306 -14.399 -15.398 1.00 0.00 C ATOM 1436 C SER A 90 -6.516 -13.389 -14.246 1.00 0.00 C ATOM 1437 O SER A 90 -7.644 -12.949 -14.002 1.00 0.00 O ATOM 1438 CB SER A 90 -7.293 -15.573 -15.268 1.00 0.00 C ATOM 1439 OG SER A 90 -7.212 -16.460 -16.378 1.00 0.00 O ATOM 0 H SER A 90 -4.664 -15.473 -14.657 1.00 0.00 H new ATOM 0 HA SER A 90 -6.494 -13.853 -16.323 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.086 -16.121 -14.349 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.309 -15.186 -15.186 1.00 0.00 H new ATOM 0 HG SER A 90 -7.852 -17.193 -16.259 1.00 0.00 H new ATOM 1445 N GLY A 91 -5.446 -13.020 -13.524 1.00 0.00 N ATOM 1446 CA GLY A 91 -5.500 -12.167 -12.328 1.00 0.00 C ATOM 1447 C GLY A 91 -6.012 -12.897 -11.069 1.00 0.00 C ATOM 1448 O GLY A 91 -6.363 -14.081 -11.140 1.00 0.00 O ATOM 0 H GLY A 91 -4.498 -13.313 -13.762 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.504 -11.772 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.146 -11.313 -12.530 1.00 0.00 H new ATOM 1452 N PRO A 92 -6.057 -12.205 -9.913 1.00 0.00 N ATOM 1453 CA PRO A 92 -6.641 -12.718 -8.675 1.00 0.00 C ATOM 1454 C PRO A 92 -8.177 -12.681 -8.726 1.00 0.00 C ATOM 1455 O PRO A 92 -8.771 -11.927 -9.497 1.00 0.00 O ATOM 1456 CB PRO A 92 -6.088 -11.806 -7.574 1.00 0.00 C ATOM 1457 CG PRO A 92 -5.941 -10.460 -8.284 1.00 0.00 C ATOM 1458 CD PRO A 92 -5.532 -10.860 -9.703 1.00 0.00 C ATOM 0 HA PRO A 92 -6.384 -13.763 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.767 -11.742 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.133 -12.167 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.874 -9.896 -8.277 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.186 -9.833 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.939 -10.164 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.448 -10.843 -9.815 1.00 0.00 H new ATOM 1466 N SER A 93 -8.830 -13.476 -7.875 1.00 0.00 N ATOM 1467 CA SER A 93 -10.299 -13.584 -7.790 1.00 0.00 C ATOM 1468 C SER A 93 -10.770 -14.184 -6.447 1.00 0.00 C ATOM 1469 O SER A 93 -10.013 -14.858 -5.742 1.00 0.00 O ATOM 1470 CB SER A 93 -10.859 -14.394 -8.978 1.00 0.00 C ATOM 1471 OG SER A 93 -10.403 -15.743 -8.987 1.00 0.00 O ATOM 0 H SER A 93 -8.347 -14.078 -7.209 1.00 0.00 H new ATOM 0 HA SER A 93 -10.695 -12.570 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.948 -14.383 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.569 -13.911 -9.911 1.00 0.00 H new ATOM 0 HG SER A 93 -10.787 -16.213 -9.757 1.00 0.00 H new ATOM 1477 N SER A 94 -12.029 -13.932 -6.070 1.00 0.00 N ATOM 1478 CA SER A 94 -12.595 -14.329 -4.763 1.00 0.00 C ATOM 1479 C SER A 94 -13.196 -15.752 -4.736 1.00 0.00 C ATOM 1480 O SER A 94 -13.627 -16.221 -3.675 1.00 0.00 O ATOM 1481 CB SER A 94 -13.666 -13.310 -4.334 1.00 0.00 C ATOM 1482 OG SER A 94 -13.161 -11.977 -4.339 1.00 0.00 O ATOM 0 H SER A 94 -12.696 -13.442 -6.666 1.00 0.00 H new ATOM 0 HA SER A 94 -11.759 -14.340 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.521 -13.377 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.025 -13.559 -3.335 1.00 0.00 H new ATOM 0 HG SER A 94 -13.869 -11.358 -4.063 1.00 0.00 H new ATOM 1488 N GLY A 95 -13.243 -16.448 -5.882 1.00 0.00 N ATOM 1489 CA GLY A 95 -13.833 -17.788 -6.039 1.00 0.00 C ATOM 1490 C GLY A 95 -13.790 -18.300 -7.479 1.00 0.00 C ATOM 1491 O GLY A 95 -14.445 -17.681 -8.348 1.00 0.00 O ATOM 1492 OXT GLY A 95 -13.109 -19.319 -7.728 1.00 0.00 O ATOM 0 H GLY A 95 -12.859 -16.083 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.302 -18.489 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.868 -17.764 -5.699 1.00 0.00 H new TER 1496 GLY A 95