USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 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 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 CYS SG : rot 10:sc= -1.1 USER MOD Set 2.2: A 124 GLN :FLIP amide:sc= -0.486 F(o=-2.6,f=-1.6) USER MOD Set 3.1: A 20 SER OG : rot 82:sc= 0.352 USER MOD Set 3.2: A 112 ASN : amide:sc= -5.17! C(o=-4.8!,f=-7.2!) USER MOD Set 4.1: A 9 ASN : amide:sc= 0.527 K(o=-2.6,f=-9!) USER MOD Set 4.2: A 47 HIS : no HE2:sc= -3.14! C(o=-2.6!,f=-11!) USER MOD Set 5.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 61 GLN : amide:sc= -2.07 K(o=-2.1,f=-5.4!) USER MOD Single : A 14 ASN : amide:sc= -0.174 X(o=-0.17,f=0.058) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 174:sc= -3.07! (180deg=-3.18!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 25 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.6!) USER MOD Single : A 28 SER OG : rot -39:sc= 1.24 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 0.132 USER MOD Single : A 40 THR OG1 : rot 21:sc= 1.22 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.154 USER MOD Single : A 53 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.21) USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00299 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.5!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 70 TYR OH : rot -77:sc= 0.504 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 59:sc= -0.923 USER MOD Single : A 83 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.33) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0973) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 CYS SG : rot 12:sc= -0.641 USER MOD Single : A 115 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-1.4) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -5.771 -4.861 -16.565 1.00 0.00 N ATOM 55 CA GLY A 5 -7.186 -5.068 -16.191 1.00 0.00 C ATOM 56 C GLY A 5 -7.647 -4.227 -14.990 1.00 0.00 C ATOM 57 O GLY A 5 -8.829 -4.214 -14.652 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.816 -4.832 -17.049 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.340 -6.123 -15.963 1.00 0.00 H new ATOM 61 N ALA A 6 -6.697 -3.548 -14.353 1.00 0.00 N ATOM 62 CA ALA A 6 -6.956 -2.616 -13.243 1.00 0.00 C ATOM 63 C ALA A 6 -5.922 -1.489 -13.259 1.00 0.00 C ATOM 64 O ALA A 6 -4.876 -1.609 -13.901 1.00 0.00 O ATOM 65 CB ALA A 6 -6.913 -3.335 -11.899 1.00 0.00 C ATOM 0 H ALA A 6 -5.708 -3.626 -14.592 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.954 -2.199 -13.376 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.108 -2.622 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.672 -4.117 -11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.929 -3.781 -11.756 1.00 0.00 H new ATOM 71 N ALA A 7 -6.305 -0.404 -12.592 1.00 0.00 N ATOM 72 CA ALA A 7 -5.584 0.883 -12.580 1.00 0.00 C ATOM 73 C ALA A 7 -6.315 1.883 -11.667 1.00 0.00 C ATOM 74 O ALA A 7 -7.500 2.155 -11.856 1.00 0.00 O ATOM 75 CB ALA A 7 -5.537 1.432 -14.012 1.00 0.00 C ATOM 0 H ALA A 7 -7.152 -0.387 -12.024 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.572 0.736 -12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.007 2.384 -14.019 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.018 0.723 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.553 1.580 -14.379 1.00 0.00 H new ATOM 81 N CYS A 8 -5.686 2.172 -10.535 1.00 0.00 N ATOM 82 CA CYS A 8 -6.215 3.129 -9.538 1.00 0.00 C ATOM 83 C CYS A 8 -5.149 4.146 -9.111 1.00 0.00 C ATOM 84 O CYS A 8 -3.977 4.001 -9.445 1.00 0.00 O ATOM 85 CB CYS A 8 -6.788 2.379 -8.329 1.00 0.00 C ATOM 86 SG CYS A 8 -8.286 1.412 -8.749 1.00 0.00 S ATOM 0 H CYS A 8 -4.793 1.756 -10.270 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.023 3.692 -10.006 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.028 1.709 -7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.030 3.094 -7.543 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.447 1.399 -10.039 1.00 0.00 H new ATOM 92 N ASN A 9 -5.577 5.216 -8.452 1.00 0.00 N ATOM 93 CA ASN A 9 -4.646 6.229 -7.919 1.00 0.00 C ATOM 94 C ASN A 9 -4.552 6.180 -6.395 1.00 0.00 C ATOM 95 O ASN A 9 -5.559 6.095 -5.685 1.00 0.00 O ATOM 96 CB ASN A 9 -5.065 7.635 -8.339 1.00 0.00 C ATOM 97 CG ASN A 9 -4.287 8.213 -9.518 1.00 0.00 C ATOM 98 OD1 ASN A 9 -3.372 7.642 -10.103 1.00 0.00 O ATOM 99 ND2 ASN A 9 -4.660 9.421 -9.866 1.00 0.00 N ATOM 0 H ASN A 9 -6.561 5.413 -8.269 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.667 5.994 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.125 7.622 -8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.951 8.303 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.188 9.899 -10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.423 9.882 -9.370 1.00 0.00 H new ATOM 106 N VAL A 10 -3.306 6.244 -5.943 1.00 0.00 N ATOM 107 CA VAL A 10 -2.930 6.139 -4.517 1.00 0.00 C ATOM 108 C VAL A 10 -1.751 7.089 -4.238 1.00 0.00 C ATOM 109 O VAL A 10 -1.093 7.578 -5.154 1.00 0.00 O ATOM 110 CB VAL A 10 -2.672 4.689 -4.012 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.522 3.620 -4.705 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.212 4.237 -3.947 1.00 0.00 C ATOM 0 H VAL A 10 -2.504 6.373 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.795 6.450 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.001 4.777 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.280 2.640 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.578 3.832 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.314 3.627 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.165 3.211 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.771 4.288 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.659 4.889 -3.271 1.00 0.00 H new ATOM 122 N LEU A 11 -1.596 7.432 -2.972 1.00 0.00 N ATOM 123 CA LEU A 11 -0.536 8.337 -2.522 1.00 0.00 C ATOM 124 C LEU A 11 0.569 7.532 -1.841 1.00 0.00 C ATOM 125 O LEU A 11 0.352 6.854 -0.838 1.00 0.00 O ATOM 126 CB LEU A 11 -1.173 9.339 -1.569 1.00 0.00 C ATOM 127 CG LEU A 11 -0.434 10.664 -1.449 1.00 0.00 C ATOM 128 CD1 LEU A 11 -0.432 11.450 -2.761 1.00 0.00 C ATOM 129 CD2 LEU A 11 -1.178 11.465 -0.394 1.00 0.00 C ATOM 0 H LEU A 11 -2.198 7.095 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.079 8.868 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.193 9.536 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.241 8.886 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 11 0.609 10.481 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.107 12.387 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.057 10.861 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.459 11.663 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.693 12.432 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.209 11.617 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.167 10.921 0.551 1.00 0.00 H new ATOM 141 N PHE A 12 1.675 7.491 -2.570 1.00 0.00 N ATOM 142 CA PHE A 12 2.910 6.799 -2.189 1.00 0.00 C ATOM 143 C PHE A 12 3.497 7.564 -1.014 1.00 0.00 C ATOM 144 O PHE A 12 3.760 8.767 -1.097 1.00 0.00 O ATOM 145 CB PHE A 12 3.920 6.846 -3.340 1.00 0.00 C ATOM 146 CG PHE A 12 5.147 5.968 -3.094 1.00 0.00 C ATOM 147 CD1 PHE A 12 6.102 6.311 -2.135 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.304 4.798 -3.830 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.192 5.492 -1.912 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.399 3.984 -3.612 1.00 0.00 C ATOM 151 CZ PHE A 12 7.349 4.323 -2.651 1.00 0.00 C ATOM 0 H PHE A 12 1.745 7.953 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 12 2.700 5.758 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.430 6.526 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.242 7.876 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.988 7.221 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.569 4.526 -4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.923 5.759 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.519 3.080 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.202 3.683 -2.481 1.00 0.00 H new ATOM 161 N ILE A 13 3.694 6.805 0.045 1.00 0.00 N ATOM 162 CA ILE A 13 4.313 7.372 1.238 1.00 0.00 C ATOM 163 C ILE A 13 5.798 6.989 1.267 1.00 0.00 C ATOM 164 O ILE A 13 6.628 7.855 1.017 1.00 0.00 O ATOM 165 CB ILE A 13 3.513 6.979 2.485 1.00 0.00 C ATOM 166 CG1 ILE A 13 2.029 7.394 2.465 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.246 7.493 3.710 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.734 8.834 2.027 1.00 0.00 C ATOM 0 H ILE A 13 3.444 5.818 0.111 1.00 0.00 H new ATOM 0 HA ILE A 13 4.286 8.462 1.220 1.00 0.00 H new ATOM 0 HB ILE A 13 3.460 5.891 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.493 6.717 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.619 7.249 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.690 7.222 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.241 7.049 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.335 8.578 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.658 9.009 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.231 9.529 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.103 8.989 1.013 1.00 0.00 H new ATOM 180 N ASN A 14 6.064 5.743 1.660 1.00 0.00 N ATOM 181 CA ASN A 14 7.407 5.147 1.812 1.00 0.00 C ATOM 182 C ASN A 14 7.326 3.730 2.384 1.00 0.00 C ATOM 183 O ASN A 14 6.340 3.350 3.020 1.00 0.00 O ATOM 184 CB ASN A 14 8.321 5.972 2.726 1.00 0.00 C ATOM 185 CG ASN A 14 9.372 6.744 1.925 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.212 7.168 0.790 1.00 0.00 O ATOM 187 ND2 ASN A 14 10.548 6.851 2.492 1.00 0.00 N ATOM 0 H ASN A 14 5.320 5.085 1.894 1.00 0.00 H new ATOM 0 HA ASN A 14 7.831 5.129 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.720 6.671 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.818 5.311 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.320 7.285 1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.691 6.500 3.439 1.00 0.00 H new ATOM 194 N SER A 15 8.339 2.948 2.031 1.00 0.00 N ATOM 195 CA SER A 15 8.513 1.590 2.571 1.00 0.00 C ATOM 196 C SER A 15 9.432 1.626 3.796 1.00 0.00 C ATOM 197 O SER A 15 10.510 2.221 3.808 1.00 0.00 O ATOM 198 CB SER A 15 9.070 0.633 1.514 1.00 0.00 C ATOM 199 OG SER A 15 10.435 0.917 1.189 1.00 0.00 O ATOM 0 H SER A 15 9.062 3.227 1.368 1.00 0.00 H new ATOM 0 HA SER A 15 7.533 1.218 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.991 -0.392 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.463 0.699 0.611 1.00 0.00 H new ATOM 0 HG SER A 15 10.749 0.281 0.513 1.00 0.00 H new ATOM 205 N VAL A 16 8.887 1.087 4.870 1.00 0.00 N ATOM 206 CA VAL A 16 9.606 0.966 6.150 1.00 0.00 C ATOM 207 C VAL A 16 9.776 -0.506 6.520 1.00 0.00 C ATOM 208 O VAL A 16 8.815 -1.271 6.620 1.00 0.00 O ATOM 209 CB VAL A 16 8.968 1.784 7.286 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.169 3.285 7.067 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.478 1.517 7.416 1.00 0.00 C ATOM 0 H VAL A 16 7.936 0.718 4.893 1.00 0.00 H new ATOM 0 HA VAL A 16 10.595 1.403 6.010 1.00 0.00 H new ATOM 0 HB VAL A 16 9.468 1.469 8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.707 3.837 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.235 3.508 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.708 3.580 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.071 2.116 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.978 1.783 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.315 0.460 7.626 1.00 0.00 H new ATOM 221 N GLU A 17 11.028 -0.929 6.403 1.00 0.00 N ATOM 222 CA GLU A 17 11.420 -2.314 6.706 1.00 0.00 C ATOM 223 C GLU A 17 10.940 -2.695 8.113 1.00 0.00 C ATOM 224 O GLU A 17 10.961 -1.902 9.050 1.00 0.00 O ATOM 225 CB GLU A 17 12.937 -2.436 6.578 1.00 0.00 C ATOM 226 CG GLU A 17 13.349 -3.872 6.238 1.00 0.00 C ATOM 227 CD GLU A 17 14.756 -3.938 5.636 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.661 -3.268 6.179 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.877 -4.638 4.608 1.00 0.00 O ATOM 0 H GLU A 17 11.799 -0.335 6.099 1.00 0.00 H new ATOM 0 HA GLU A 17 10.955 -3.003 6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.295 -1.759 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.409 -2.130 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.312 -4.483 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.633 -4.298 5.535 1.00 0.00 H new ATOM 236 N MET A 18 10.361 -3.880 8.159 1.00 0.00 N ATOM 237 CA MET A 18 9.782 -4.426 9.400 1.00 0.00 C ATOM 238 C MET A 18 10.540 -5.665 9.903 1.00 0.00 C ATOM 239 O MET A 18 10.018 -6.365 10.764 1.00 0.00 O ATOM 240 CB MET A 18 8.301 -4.752 9.155 1.00 0.00 C ATOM 241 CG MET A 18 8.184 -5.842 8.093 1.00 0.00 C ATOM 242 SD MET A 18 6.517 -6.364 7.575 1.00 0.00 S ATOM 243 CE MET A 18 6.358 -7.853 8.538 1.00 0.00 C ATOM 0 H MET A 18 10.272 -4.497 7.352 1.00 0.00 H new ATOM 0 HA MET A 18 9.873 -3.673 10.183 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.833 -5.082 10.082 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.770 -3.857 8.831 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.717 -5.501 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.709 -6.723 8.461 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.350 -8.252 8.427 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.081 -8.591 8.190 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.546 -7.629 9.588 1.00 0.00 H new ATOM 253 N GLU A 19 11.663 -6.002 9.254 1.00 0.00 N ATOM 254 CA GLU A 19 12.503 -7.195 9.538 1.00 0.00 C ATOM 255 C GLU A 19 11.705 -8.517 9.696 1.00 0.00 C ATOM 256 O GLU A 19 12.003 -9.352 10.544 1.00 0.00 O ATOM 257 CB GLU A 19 13.434 -6.926 10.743 1.00 0.00 C ATOM 258 CG GLU A 19 12.676 -6.685 12.060 1.00 0.00 C ATOM 259 CD GLU A 19 13.531 -6.654 13.320 1.00 0.00 C ATOM 260 OE1 GLU A 19 14.160 -7.692 13.612 1.00 0.00 O ATOM 261 OE2 GLU A 19 13.476 -5.607 14.002 1.00 0.00 O ATOM 0 H GLU A 19 12.032 -5.438 8.489 1.00 0.00 H new ATOM 0 HA GLU A 19 13.116 -7.355 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.106 -7.775 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.055 -6.057 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.142 -5.738 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.924 -7.466 12.173 1.00 0.00 H new ATOM 268 N SER A 20 10.620 -8.630 8.921 1.00 0.00 N ATOM 269 CA SER A 20 9.568 -9.664 9.085 1.00 0.00 C ATOM 270 C SER A 20 9.008 -9.688 10.519 1.00 0.00 C ATOM 271 O SER A 20 9.213 -10.621 11.292 1.00 0.00 O ATOM 272 CB SER A 20 10.000 -11.096 8.751 1.00 0.00 C ATOM 273 OG SER A 20 10.152 -11.388 7.365 1.00 0.00 O ATOM 0 H SER A 20 10.436 -7.996 8.143 1.00 0.00 H new ATOM 0 HA SER A 20 8.814 -9.359 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.947 -11.296 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.266 -11.784 9.170 1.00 0.00 H new ATOM 0 HG SER A 20 11.031 -11.079 7.060 1.00 0.00 H new ATOM 279 N LEU A 21 8.349 -8.590 10.879 1.00 0.00 N ATOM 280 CA LEU A 21 7.704 -8.461 12.196 1.00 0.00 C ATOM 281 C LEU A 21 6.597 -9.518 12.345 1.00 0.00 C ATOM 282 O LEU A 21 6.857 -10.585 12.888 1.00 0.00 O ATOM 283 CB LEU A 21 7.211 -7.016 12.399 1.00 0.00 C ATOM 284 CG LEU A 21 7.487 -6.423 13.793 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.774 -7.190 14.912 1.00 0.00 C ATOM 286 CD2 LEU A 21 8.991 -6.306 14.066 1.00 0.00 C ATOM 0 H LEU A 21 8.244 -7.771 10.280 1.00 0.00 H new ATOM 0 HA LEU A 21 8.423 -8.656 12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.682 -6.379 11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.137 -6.985 12.214 1.00 0.00 H new ATOM 0 HG LEU A 21 7.068 -5.417 13.789 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.004 -6.729 15.873 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.697 -7.161 14.744 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.113 -8.226 14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.149 -5.884 15.058 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.448 -7.294 14.015 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.447 -5.657 13.319 1.00 0.00 H new ATOM 298 N THR A 22 5.481 -9.294 11.645 1.00 0.00 N ATOM 299 CA THR A 22 4.308 -10.200 11.684 1.00 0.00 C ATOM 300 C THR A 22 3.477 -10.026 10.393 1.00 0.00 C ATOM 301 O THR A 22 3.893 -10.471 9.328 1.00 0.00 O ATOM 302 CB THR A 22 3.496 -9.990 12.989 1.00 0.00 C ATOM 303 OG1 THR A 22 4.360 -10.088 14.124 1.00 0.00 O ATOM 304 CG2 THR A 22 2.339 -10.983 13.152 1.00 0.00 C ATOM 0 H THR A 22 5.356 -8.486 11.035 1.00 0.00 H new ATOM 0 HA THR A 22 4.635 -11.240 11.709 1.00 0.00 H new ATOM 0 HB THR A 22 3.059 -8.994 12.920 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.840 -9.953 14.944 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.814 -10.780 14.085 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.648 -10.877 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.732 -12.000 13.171 1.00 0.00 H new ATOM 312 N GLY A 23 2.442 -9.180 10.474 1.00 0.00 N ATOM 313 CA GLY A 23 1.485 -8.946 9.369 1.00 0.00 C ATOM 314 C GLY A 23 0.551 -7.770 9.709 1.00 0.00 C ATOM 315 O GLY A 23 0.963 -6.633 9.463 1.00 0.00 O ATOM 0 H GLY A 23 2.238 -8.632 11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.028 -8.733 8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.897 -9.846 9.192 1.00 0.00 H new ATOM 319 N PRO A 24 -0.498 -7.990 10.527 1.00 0.00 N ATOM 320 CA PRO A 24 -1.404 -6.910 10.982 1.00 0.00 C ATOM 321 C PRO A 24 -0.775 -5.944 12.006 1.00 0.00 C ATOM 322 O PRO A 24 -1.355 -4.919 12.342 1.00 0.00 O ATOM 323 CB PRO A 24 -2.609 -7.638 11.578 1.00 0.00 C ATOM 324 CG PRO A 24 -2.004 -8.922 12.149 1.00 0.00 C ATOM 325 CD PRO A 24 -0.857 -9.264 11.191 1.00 0.00 C ATOM 0 HA PRO A 24 -1.663 -6.261 10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.094 -7.044 12.353 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.363 -7.852 10.821 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.641 -8.772 13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.741 -9.724 12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.006 -9.678 11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.166 -10.013 10.461 1.00 0.00 H new ATOM 333 N GLN A 25 0.482 -6.212 12.354 1.00 0.00 N ATOM 334 CA GLN A 25 1.268 -5.441 13.336 1.00 0.00 C ATOM 335 C GLN A 25 2.304 -4.577 12.616 1.00 0.00 C ATOM 336 O GLN A 25 2.489 -3.416 12.948 1.00 0.00 O ATOM 337 CB GLN A 25 2.029 -6.390 14.265 1.00 0.00 C ATOM 338 CG GLN A 25 2.787 -5.660 15.387 1.00 0.00 C ATOM 339 CD GLN A 25 1.997 -5.552 16.694 1.00 0.00 C ATOM 340 OE1 GLN A 25 1.032 -6.260 16.951 1.00 0.00 O ATOM 341 NE2 GLN A 25 2.424 -4.677 17.575 1.00 0.00 N ATOM 0 H GLN A 25 1.003 -6.992 11.954 1.00 0.00 H new ATOM 0 HA GLN A 25 0.577 -4.819 13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.326 -7.095 14.709 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.737 -6.974 13.677 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.723 -6.183 15.581 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.047 -4.658 15.046 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.228 -4.088 17.360 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.952 -4.587 18.474 1.00 0.00 H new ATOM 350 N ALA A 26 2.950 -5.123 11.594 1.00 0.00 N ATOM 351 CA ALA A 26 3.930 -4.351 10.822 1.00 0.00 C ATOM 352 C ALA A 26 3.297 -3.117 10.184 1.00 0.00 C ATOM 353 O ALA A 26 3.930 -2.077 10.174 1.00 0.00 O ATOM 354 CB ALA A 26 4.463 -5.247 9.739 1.00 0.00 C ATOM 0 H ALA A 26 2.820 -6.084 11.279 1.00 0.00 H new ATOM 0 HA ALA A 26 4.722 -4.009 11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.196 -4.702 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.936 -6.120 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.643 -5.570 9.097 1.00 0.00 H new ATOM 360 N ILE A 27 2.004 -3.204 9.880 1.00 0.00 N ATOM 361 CA ILE A 27 1.211 -2.050 9.420 1.00 0.00 C ATOM 362 C ILE A 27 1.121 -0.993 10.537 1.00 0.00 C ATOM 363 O ILE A 27 1.537 0.121 10.277 1.00 0.00 O ATOM 364 CB ILE A 27 -0.159 -2.493 8.878 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.024 -3.640 7.881 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.830 -1.343 8.112 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.137 -4.619 7.968 1.00 0.00 C ATOM 0 H ILE A 27 1.471 -4.071 9.943 1.00 0.00 H new ATOM 0 HA ILE A 27 1.716 -1.577 8.578 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.769 -2.799 9.728 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.095 -3.241 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.960 -4.160 8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.798 -1.673 7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.971 -0.494 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.198 -1.045 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.987 -5.426 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.189 -5.033 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.068 -4.100 7.740 1.00 0.00 H new ATOM 379 N SER A 28 0.991 -1.394 11.804 1.00 0.00 N ATOM 380 CA SER A 28 1.001 -0.428 12.929 1.00 0.00 C ATOM 381 C SER A 28 2.420 0.083 13.236 1.00 0.00 C ATOM 382 O SER A 28 2.632 1.289 13.215 1.00 0.00 O ATOM 383 CB SER A 28 0.362 -0.973 14.215 1.00 0.00 C ATOM 384 OG SER A 28 1.195 -1.943 14.857 1.00 0.00 O ATOM 0 H SER A 28 0.878 -2.368 12.085 1.00 0.00 H new ATOM 0 HA SER A 28 0.385 0.404 12.586 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.169 -0.149 14.902 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.602 -1.423 13.978 1.00 0.00 H new ATOM 0 HG SER A 28 1.623 -2.506 14.179 1.00 0.00 H new ATOM 390 N LYS A 29 3.407 -0.815 13.227 1.00 0.00 N ATOM 391 CA LYS A 29 4.833 -0.492 13.467 1.00 0.00 C ATOM 392 C LYS A 29 5.463 0.289 12.292 1.00 0.00 C ATOM 393 O LYS A 29 6.606 0.726 12.363 1.00 0.00 O ATOM 394 CB LYS A 29 5.594 -1.802 13.701 1.00 0.00 C ATOM 395 CG LYS A 29 6.827 -1.664 14.605 1.00 0.00 C ATOM 396 CD LYS A 29 6.441 -1.616 16.086 1.00 0.00 C ATOM 397 CE LYS A 29 7.624 -2.025 16.965 1.00 0.00 C ATOM 398 NZ LYS A 29 7.238 -3.115 17.876 1.00 0.00 N ATOM 0 H LYS A 29 3.245 -1.807 13.051 1.00 0.00 H new ATOM 0 HA LYS A 29 4.899 0.153 14.343 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.914 -2.530 14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.908 -2.203 12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.501 -2.503 14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.372 -0.758 14.341 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.116 -0.610 16.350 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.598 -2.282 16.269 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.457 -2.345 16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.970 -1.167 17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.053 -3.380 18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.458 -2.797 18.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.930 -3.939 17.321 1.00 0.00 H new ATOM 412 N ALA A 30 4.671 0.473 11.240 1.00 0.00 N ATOM 413 CA ALA A 30 5.015 1.190 10.002 1.00 0.00 C ATOM 414 C ALA A 30 4.203 2.476 9.873 1.00 0.00 C ATOM 415 O ALA A 30 4.774 3.549 9.942 1.00 0.00 O ATOM 416 CB ALA A 30 4.670 0.332 8.796 1.00 0.00 C ATOM 0 H ALA A 30 3.719 0.109 11.221 1.00 0.00 H new ATOM 0 HA ALA A 30 6.081 1.415 10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.927 0.868 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.233 -0.600 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.602 0.112 8.799 1.00 0.00 H new ATOM 422 N VAL A 31 2.877 2.367 9.930 1.00 0.00 N ATOM 423 CA VAL A 31 1.957 3.523 9.934 1.00 0.00 C ATOM 424 C VAL A 31 2.305 4.466 11.102 1.00 0.00 C ATOM 425 O VAL A 31 2.383 5.678 10.908 1.00 0.00 O ATOM 426 CB VAL A 31 0.488 3.072 10.033 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.441 4.288 10.091 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.054 2.197 8.856 1.00 0.00 C ATOM 0 H VAL A 31 2.397 1.468 9.975 1.00 0.00 H new ATOM 0 HA VAL A 31 2.078 4.056 8.991 1.00 0.00 H new ATOM 0 HB VAL A 31 0.415 2.481 10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.476 3.952 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.196 4.892 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.314 4.886 9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.990 1.910 8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.168 2.755 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.674 1.301 8.820 1.00 0.00 H new ATOM 438 N ALA A 32 2.644 3.884 12.251 1.00 0.00 N ATOM 439 CA ALA A 32 3.058 4.662 13.433 1.00 0.00 C ATOM 440 C ALA A 32 4.511 5.149 13.335 1.00 0.00 C ATOM 441 O ALA A 32 4.815 6.227 13.828 1.00 0.00 O ATOM 442 CB ALA A 32 2.830 3.889 14.734 1.00 0.00 C ATOM 0 H ALA A 32 2.642 2.874 12.396 1.00 0.00 H new ATOM 0 HA ALA A 32 2.420 5.546 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.148 4.498 15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.771 3.652 14.836 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.408 2.965 14.714 1.00 0.00 H new ATOM 448 N GLU A 33 5.317 4.486 12.508 1.00 0.00 N ATOM 449 CA GLU A 33 6.723 4.876 12.255 1.00 0.00 C ATOM 450 C GLU A 33 6.906 5.498 10.857 1.00 0.00 C ATOM 451 O GLU A 33 7.954 5.422 10.215 1.00 0.00 O ATOM 452 CB GLU A 33 7.631 3.656 12.415 1.00 0.00 C ATOM 453 CG GLU A 33 7.692 3.194 13.872 1.00 0.00 C ATOM 454 CD GLU A 33 9.148 3.097 14.320 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.745 2.018 14.112 1.00 0.00 O ATOM 456 OE2 GLU A 33 9.634 4.117 14.854 1.00 0.00 O ATOM 0 H GLU A 33 5.023 3.659 11.988 1.00 0.00 H new ATOM 0 HA GLU A 33 6.997 5.637 12.986 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.264 2.843 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.635 3.899 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.151 3.894 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.204 2.225 13.977 1.00 0.00 H new ATOM 463 N THR A 34 5.831 6.130 10.402 1.00 0.00 N ATOM 464 CA THR A 34 5.757 6.754 9.071 1.00 0.00 C ATOM 465 C THR A 34 4.983 8.075 9.103 1.00 0.00 C ATOM 466 O THR A 34 5.513 9.090 8.662 1.00 0.00 O ATOM 467 CB THR A 34 5.234 5.739 8.047 1.00 0.00 C ATOM 468 OG1 THR A 34 6.275 4.808 7.758 1.00 0.00 O ATOM 469 CG2 THR A 34 4.793 6.373 6.744 1.00 0.00 C ATOM 0 H THR A 34 4.974 6.229 10.946 1.00 0.00 H new ATOM 0 HA THR A 34 6.759 7.035 8.747 1.00 0.00 H new ATOM 0 HB THR A 34 4.361 5.260 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.256 4.082 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.435 5.599 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.991 7.085 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.636 6.893 6.289 1.00 0.00 H new ATOM 477 N LEU A 35 3.819 8.058 9.746 1.00 0.00 N ATOM 478 CA LEU A 35 3.038 9.288 9.990 1.00 0.00 C ATOM 479 C LEU A 35 3.793 10.333 10.834 1.00 0.00 C ATOM 480 O LEU A 35 3.582 11.531 10.681 1.00 0.00 O ATOM 481 CB LEU A 35 1.682 8.921 10.611 1.00 0.00 C ATOM 482 CG LEU A 35 0.564 8.581 9.604 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.189 9.814 8.782 1.00 0.00 C ATOM 484 CD2 LEU A 35 0.895 7.407 8.677 1.00 0.00 C ATOM 0 H LEU A 35 3.387 7.209 10.112 1.00 0.00 H new ATOM 0 HA LEU A 35 2.872 9.770 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.824 8.067 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.348 9.753 11.231 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.288 8.262 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.601 9.555 8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.163 10.602 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.063 10.166 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.059 7.231 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.788 7.641 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.073 6.512 9.273 1.00 0.00 H new ATOM 496 N VAL A 36 4.737 9.830 11.629 1.00 0.00 N ATOM 497 CA VAL A 36 5.664 10.638 12.446 1.00 0.00 C ATOM 498 C VAL A 36 7.134 10.485 11.993 1.00 0.00 C ATOM 499 O VAL A 36 8.004 11.163 12.536 1.00 0.00 O ATOM 500 CB VAL A 36 5.462 10.290 13.936 1.00 0.00 C ATOM 501 CG1 VAL A 36 6.049 8.934 14.350 1.00 0.00 C ATOM 502 CG2 VAL A 36 5.960 11.408 14.856 1.00 0.00 C ATOM 0 H VAL A 36 4.888 8.826 11.731 1.00 0.00 H new ATOM 0 HA VAL A 36 5.431 11.693 12.302 1.00 0.00 H new ATOM 0 HB VAL A 36 4.383 10.197 14.058 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.864 8.766 15.411 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.577 8.141 13.770 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.123 8.930 14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.799 11.123 15.896 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.024 11.573 14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.412 12.326 14.643 1.00 0.00 H new ATOM 512 N ALA A 37 7.396 9.589 11.029 1.00 0.00 N ATOM 513 CA ALA A 37 8.759 9.258 10.555 1.00 0.00 C ATOM 514 C ALA A 37 9.497 10.557 10.234 1.00 0.00 C ATOM 515 O ALA A 37 8.993 11.353 9.456 1.00 0.00 O ATOM 516 CB ALA A 37 8.722 8.420 9.275 1.00 0.00 C ATOM 0 H ALA A 37 6.664 9.066 10.549 1.00 0.00 H new ATOM 0 HA ALA A 37 9.258 8.690 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.740 8.196 8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.188 7.489 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.211 8.977 8.490 1.00 0.00 H new ATOM 522 N ASP A 38 10.456 10.877 11.095 1.00 0.00 N ATOM 523 CA ASP A 38 11.173 12.158 11.035 1.00 0.00 C ATOM 524 C ASP A 38 12.586 11.938 10.479 1.00 0.00 C ATOM 525 O ASP A 38 13.332 11.137 11.047 1.00 0.00 O ATOM 526 CB ASP A 38 11.196 12.818 12.420 1.00 0.00 C ATOM 527 CG ASP A 38 10.324 14.079 12.487 1.00 0.00 C ATOM 528 OD1 ASP A 38 9.110 13.976 12.219 1.00 0.00 O ATOM 529 OD2 ASP A 38 10.916 15.143 12.775 1.00 0.00 O ATOM 0 H ASP A 38 10.761 10.265 11.852 1.00 0.00 H new ATOM 0 HA ASP A 38 10.653 12.838 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.851 12.102 13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.223 13.077 12.678 1.00 0.00 H new ATOM 534 N PRO A 39 12.877 12.575 9.335 1.00 0.00 N ATOM 535 CA PRO A 39 11.962 13.449 8.565 1.00 0.00 C ATOM 536 C PRO A 39 10.891 12.670 7.786 1.00 0.00 C ATOM 537 O PRO A 39 11.058 11.483 7.501 1.00 0.00 O ATOM 538 CB PRO A 39 12.888 14.254 7.655 1.00 0.00 C ATOM 539 CG PRO A 39 14.050 13.297 7.390 1.00 0.00 C ATOM 540 CD PRO A 39 14.210 12.533 8.705 1.00 0.00 C ATOM 0 HA PRO A 39 11.370 14.089 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.389 14.545 6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.226 15.171 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.831 12.623 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.960 13.837 7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.531 11.506 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.963 12.997 9.342 1.00 0.00 H new ATOM 548 N THR A 40 9.768 13.340 7.538 1.00 0.00 N ATOM 549 CA THR A 40 8.598 12.724 6.870 1.00 0.00 C ATOM 550 C THR A 40 8.772 12.777 5.345 1.00 0.00 C ATOM 551 O THR A 40 9.158 13.823 4.818 1.00 0.00 O ATOM 552 CB THR A 40 7.273 13.341 7.369 1.00 0.00 C ATOM 553 OG1 THR A 40 7.090 12.935 8.724 1.00 0.00 O ATOM 554 CG2 THR A 40 6.017 12.960 6.573 1.00 0.00 C ATOM 0 H THR A 40 9.632 14.319 7.788 1.00 0.00 H new ATOM 0 HA THR A 40 8.542 11.670 7.142 1.00 0.00 H new ATOM 0 HB THR A 40 7.375 14.419 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.953 12.674 9.107 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.147 13.449 7.011 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.131 13.281 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.880 11.879 6.605 1.00 0.00 H new ATOM 562 N PRO A 41 8.588 11.634 4.673 1.00 0.00 N ATOM 563 CA PRO A 41 8.660 11.568 3.206 1.00 0.00 C ATOM 564 C PRO A 41 7.476 12.292 2.557 1.00 0.00 C ATOM 565 O PRO A 41 6.405 12.450 3.149 1.00 0.00 O ATOM 566 CB PRO A 41 8.682 10.075 2.884 1.00 0.00 C ATOM 567 CG PRO A 41 7.900 9.449 4.038 1.00 0.00 C ATOM 568 CD PRO A 41 8.301 10.299 5.243 1.00 0.00 C ATOM 0 HA PRO A 41 9.542 12.071 2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.214 9.865 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.701 9.690 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.825 9.486 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.164 8.401 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.500 10.346 5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.175 9.886 5.747 1.00 0.00 H new ATOM 576 N THR A 42 7.767 12.842 1.387 1.00 0.00 N ATOM 577 CA THR A 42 6.761 13.525 0.552 1.00 0.00 C ATOM 578 C THR A 42 5.763 12.521 -0.041 1.00 0.00 C ATOM 579 O THR A 42 6.130 11.495 -0.609 1.00 0.00 O ATOM 580 CB THR A 42 7.403 14.402 -0.541 1.00 0.00 C ATOM 581 OG1 THR A 42 6.372 15.073 -1.268 1.00 0.00 O ATOM 582 CG2 THR A 42 8.343 13.647 -1.493 1.00 0.00 C ATOM 0 H THR A 42 8.703 12.833 0.981 1.00 0.00 H new ATOM 0 HA THR A 42 6.208 14.201 1.205 1.00 0.00 H new ATOM 0 HB THR A 42 8.043 15.121 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.774 15.634 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.749 14.341 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.159 13.204 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.788 12.860 -2.004 1.00 0.00 H new ATOM 590 N ALA A 43 4.500 12.910 0.047 1.00 0.00 N ATOM 591 CA ALA A 43 3.378 12.114 -0.467 1.00 0.00 C ATOM 592 C ALA A 43 3.212 12.366 -1.973 1.00 0.00 C ATOM 593 O ALA A 43 3.164 13.507 -2.435 1.00 0.00 O ATOM 594 CB ALA A 43 2.132 12.513 0.314 1.00 0.00 C ATOM 0 H ALA A 43 4.215 13.790 0.478 1.00 0.00 H new ATOM 0 HA ALA A 43 3.556 11.047 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.278 11.938 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.286 12.310 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.939 13.576 0.172 1.00 0.00 H new ATOM 600 N THR A 44 3.396 11.298 -2.735 1.00 0.00 N ATOM 601 CA THR A 44 3.295 11.374 -4.207 1.00 0.00 C ATOM 602 C THR A 44 2.184 10.488 -4.785 1.00 0.00 C ATOM 603 O THR A 44 2.057 9.319 -4.437 1.00 0.00 O ATOM 604 CB THR A 44 4.691 11.114 -4.796 1.00 0.00 C ATOM 605 OG1 THR A 44 5.458 12.303 -4.592 1.00 0.00 O ATOM 606 CG2 THR A 44 4.699 10.764 -6.281 1.00 0.00 C ATOM 0 H THR A 44 3.615 10.370 -2.374 1.00 0.00 H new ATOM 0 HA THR A 44 2.979 12.374 -4.503 1.00 0.00 H new ATOM 0 HB THR A 44 5.105 10.242 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.360 12.177 -4.954 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.725 10.597 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.114 9.859 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.264 11.585 -6.851 1.00 0.00 H new ATOM 614 N ILE A 45 1.480 11.033 -5.771 1.00 0.00 N ATOM 615 CA ILE A 45 0.391 10.320 -6.469 1.00 0.00 C ATOM 616 C ILE A 45 0.991 9.315 -7.463 1.00 0.00 C ATOM 617 O ILE A 45 1.759 9.647 -8.373 1.00 0.00 O ATOM 618 CB ILE A 45 -0.588 11.291 -7.160 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.146 12.295 -6.141 1.00 0.00 C ATOM 620 CG2 ILE A 45 -1.741 10.521 -7.827 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.700 13.584 -6.757 1.00 0.00 C ATOM 0 H ILE A 45 1.640 11.979 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.195 9.776 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.043 11.834 -7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.938 11.811 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.356 12.554 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.419 11.226 -8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.338 9.838 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.284 9.953 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.073 14.235 -5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.908 14.095 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.514 13.340 -7.440 1.00 0.00 H new ATOM 633 N VAL A 46 0.559 8.087 -7.242 1.00 0.00 N ATOM 634 CA VAL A 46 0.954 6.898 -8.012 1.00 0.00 C ATOM 635 C VAL A 46 -0.260 6.110 -8.510 1.00 0.00 C ATOM 636 O VAL A 46 -1.347 6.182 -7.935 1.00 0.00 O ATOM 637 CB VAL A 46 1.922 5.988 -7.237 1.00 0.00 C ATOM 638 CG1 VAL A 46 3.253 6.703 -7.079 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.434 5.598 -5.842 1.00 0.00 C ATOM 0 H VAL A 46 -0.102 7.871 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 46 1.492 7.268 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 46 2.004 5.071 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.946 6.065 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.666 6.925 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.104 7.633 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.174 4.956 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.291 6.497 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.488 5.062 -5.924 1.00 0.00 H new ATOM 649 N HIS A 47 -0.017 5.376 -9.583 1.00 0.00 N ATOM 650 CA HIS A 47 -1.024 4.519 -10.214 1.00 0.00 C ATOM 651 C HIS A 47 -0.781 3.048 -9.855 1.00 0.00 C ATOM 652 O HIS A 47 0.272 2.474 -10.135 1.00 0.00 O ATOM 653 CB HIS A 47 -0.995 4.754 -11.721 1.00 0.00 C ATOM 654 CG HIS A 47 -2.419 4.704 -12.273 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.304 5.688 -12.187 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.956 3.708 -12.957 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.407 5.305 -12.826 1.00 0.00 C ATOM 658 NE2 HIS A 47 -4.185 4.088 -13.301 1.00 0.00 N ATOM 0 H HIS A 47 0.890 5.353 -10.049 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.017 4.772 -9.843 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.543 5.721 -11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.379 3.997 -12.206 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.164 6.581 -11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.486 2.764 -13.192 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.315 5.880 -12.937 1.00 0.00 H new ATOM 666 N PHE A 48 -1.750 2.551 -9.097 1.00 0.00 N ATOM 667 CA PHE A 48 -1.816 1.182 -8.563 1.00 0.00 C ATOM 668 C PHE A 48 -2.374 0.260 -9.648 1.00 0.00 C ATOM 669 O PHE A 48 -3.551 0.326 -10.010 1.00 0.00 O ATOM 670 CB PHE A 48 -2.758 1.143 -7.359 1.00 0.00 C ATOM 671 CG PHE A 48 -2.260 0.201 -6.268 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.471 -1.174 -6.315 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.575 0.748 -5.189 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.012 -1.969 -5.279 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.093 -0.041 -4.167 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.317 -1.408 -4.206 1.00 0.00 C ATOM 0 H PHE A 48 -2.555 3.113 -8.820 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.820 0.860 -8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.863 2.148 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.749 0.827 -7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.989 -1.617 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.417 1.816 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.193 -3.033 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.548 0.401 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.954 -2.038 -3.408 1.00 0.00 H new ATOM 686 N LYS A 49 -1.463 -0.487 -10.245 1.00 0.00 N ATOM 687 CA LYS A 49 -1.813 -1.432 -11.308 1.00 0.00 C ATOM 688 C LYS A 49 -1.715 -2.853 -10.761 1.00 0.00 C ATOM 689 O LYS A 49 -0.692 -3.277 -10.219 1.00 0.00 O ATOM 690 CB LYS A 49 -0.892 -1.192 -12.502 1.00 0.00 C ATOM 691 CG LYS A 49 -1.491 -1.759 -13.787 1.00 0.00 C ATOM 692 CD LYS A 49 -1.010 -0.916 -14.965 1.00 0.00 C ATOM 693 CE LYS A 49 -1.312 -1.603 -16.295 1.00 0.00 C ATOM 694 NZ LYS A 49 -1.022 -0.696 -17.413 1.00 0.00 N ATOM 0 H LYS A 49 -0.469 -0.462 -10.016 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.838 -1.286 -11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.718 -0.123 -12.620 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.077 -1.654 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.189 -2.798 -13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.580 -1.747 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.494 0.060 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.063 -0.742 -14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.714 -2.509 -16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.358 -1.907 -16.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.232 -1.175 -18.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.611 0.157 -17.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.018 -0.427 -17.390 1.00 0.00 H new ATOM 708 N VAL A 50 -2.870 -3.495 -10.783 1.00 0.00 N ATOM 709 CA VAL A 50 -2.993 -4.859 -10.246 1.00 0.00 C ATOM 710 C VAL A 50 -2.879 -5.814 -11.442 1.00 0.00 C ATOM 711 O VAL A 50 -3.337 -5.520 -12.550 1.00 0.00 O ATOM 712 CB VAL A 50 -4.272 -5.080 -9.391 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.770 -3.823 -8.660 1.00 0.00 C ATOM 714 CG2 VAL A 50 -5.405 -5.806 -10.119 1.00 0.00 C ATOM 0 H VAL A 50 -3.734 -3.107 -11.161 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.193 -5.055 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.931 -5.765 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.665 -4.066 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.994 -3.463 -7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.005 -3.047 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.257 -5.917 -9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.705 -5.228 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.062 -6.791 -10.435 1.00 0.00 H new ATOM 724 N SER A 51 -2.288 -6.960 -11.170 1.00 0.00 N ATOM 725 CA SER A 51 -2.256 -8.049 -12.156 1.00 0.00 C ATOM 726 C SER A 51 -2.573 -9.377 -11.465 1.00 0.00 C ATOM 727 O SER A 51 -2.598 -9.425 -10.234 1.00 0.00 O ATOM 728 CB SER A 51 -0.896 -8.067 -12.856 1.00 0.00 C ATOM 729 OG SER A 51 0.106 -8.792 -12.147 1.00 0.00 O ATOM 0 H SER A 51 -1.824 -7.171 -10.286 1.00 0.00 H new ATOM 0 HA SER A 51 -3.016 -7.890 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.014 -8.504 -13.848 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.557 -7.041 -12.998 1.00 0.00 H new ATOM 0 HG SER A 51 0.947 -8.764 -12.649 1.00 0.00 H new ATOM 735 N ALA A 52 -2.616 -10.435 -12.275 1.00 0.00 N ATOM 736 CA ALA A 52 -2.823 -11.825 -11.816 1.00 0.00 C ATOM 737 C ALA A 52 -1.970 -12.196 -10.587 1.00 0.00 C ATOM 738 O ALA A 52 -2.498 -12.798 -9.657 1.00 0.00 O ATOM 739 CB ALA A 52 -2.532 -12.782 -12.975 1.00 0.00 C ATOM 0 H ALA A 52 -2.507 -10.358 -13.286 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.862 -11.913 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.682 -13.810 -12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.206 -12.565 -13.804 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.500 -12.653 -13.303 1.00 0.00 H new ATOM 745 N GLN A 53 -0.770 -11.599 -10.523 1.00 0.00 N ATOM 746 CA GLN A 53 0.208 -11.698 -9.415 1.00 0.00 C ATOM 747 C GLN A 53 1.417 -10.756 -9.590 1.00 0.00 C ATOM 748 O GLN A 53 2.573 -11.174 -9.649 1.00 0.00 O ATOM 749 CB GLN A 53 0.682 -13.147 -9.228 1.00 0.00 C ATOM 750 CG GLN A 53 -0.105 -13.842 -8.117 1.00 0.00 C ATOM 751 CD GLN A 53 -0.632 -15.214 -8.535 1.00 0.00 C ATOM 752 OE1 GLN A 53 -0.044 -15.956 -9.312 1.00 0.00 O ATOM 753 NE2 GLN A 53 -1.775 -15.575 -8.003 1.00 0.00 N ATOM 0 H GLN A 53 -0.433 -11.002 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.317 -11.375 -8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.562 -13.696 -10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.745 -13.157 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.534 -13.955 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.943 -13.210 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.257 -14.950 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.182 -16.481 -8.235 1.00 0.00 H new ATOM 762 N GLY A 54 1.124 -9.450 -9.590 1.00 0.00 N ATOM 763 CA GLY A 54 2.176 -8.425 -9.758 1.00 0.00 C ATOM 764 C GLY A 54 1.597 -7.016 -9.696 1.00 0.00 C ATOM 765 O GLY A 54 0.916 -6.562 -10.613 1.00 0.00 O ATOM 0 H GLY A 54 0.182 -9.076 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.930 -8.545 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.679 -8.571 -10.714 1.00 0.00 H new ATOM 769 N ILE A 55 1.811 -6.392 -8.549 1.00 0.00 N ATOM 770 CA ILE A 55 1.297 -5.034 -8.327 1.00 0.00 C ATOM 771 C ILE A 55 2.382 -4.058 -8.786 1.00 0.00 C ATOM 772 O ILE A 55 3.551 -4.285 -8.516 1.00 0.00 O ATOM 773 CB ILE A 55 0.956 -4.813 -6.846 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.009 -5.868 -6.271 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.442 -3.382 -6.652 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.406 -5.940 -6.903 1.00 0.00 C ATOM 0 H ILE A 55 2.327 -6.789 -7.764 1.00 0.00 H new ATOM 0 HA ILE A 55 0.377 -4.877 -8.891 1.00 0.00 H new ATOM 0 HB ILE A 55 1.872 -4.943 -6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.460 -6.847 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.127 -5.676 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.199 -3.222 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.212 -2.674 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.451 -3.231 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.988 -6.720 -6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.910 -4.981 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.314 -6.170 -7.964 1.00 0.00 H new ATOM 788 N THR A 56 1.937 -2.966 -9.385 1.00 0.00 N ATOM 789 CA THR A 56 2.824 -1.920 -9.928 1.00 0.00 C ATOM 790 C THR A 56 2.322 -0.535 -9.490 1.00 0.00 C ATOM 791 O THR A 56 1.123 -0.310 -9.352 1.00 0.00 O ATOM 792 CB THR A 56 2.868 -2.061 -11.459 1.00 0.00 C ATOM 793 OG1 THR A 56 3.028 -3.445 -11.800 1.00 0.00 O ATOM 794 CG2 THR A 56 4.042 -1.285 -12.063 1.00 0.00 C ATOM 0 H THR A 56 0.945 -2.768 -9.515 1.00 0.00 H new ATOM 0 HA THR A 56 3.837 -2.033 -9.542 1.00 0.00 H new ATOM 0 HB THR A 56 1.936 -1.659 -11.857 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.055 -3.541 -12.775 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.041 -1.408 -13.146 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.944 -0.227 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.978 -1.666 -11.656 1.00 0.00 H new ATOM 802 N LEU A 57 3.281 0.311 -9.136 1.00 0.00 N ATOM 803 CA LEU A 57 3.064 1.680 -8.639 1.00 0.00 C ATOM 804 C LEU A 57 3.919 2.688 -9.404 1.00 0.00 C ATOM 805 O LEU A 57 5.132 2.785 -9.209 1.00 0.00 O ATOM 806 CB LEU A 57 3.398 1.717 -7.148 1.00 0.00 C ATOM 807 CG LEU A 57 2.302 0.998 -6.371 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.888 0.267 -5.167 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.279 2.036 -5.926 1.00 0.00 C ATOM 0 H LEU A 57 4.269 0.062 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 57 2.021 1.957 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.361 1.240 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.484 2.749 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 57 1.823 0.251 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.090 -0.240 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.619 -0.467 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.375 0.985 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.483 1.545 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.765 2.777 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.857 2.529 -6.801 1.00 0.00 H new ATOM 821 N THR A 58 3.253 3.313 -10.363 1.00 0.00 N ATOM 822 CA THR A 58 3.892 4.273 -11.285 1.00 0.00 C ATOM 823 C THR A 58 3.609 5.709 -10.828 1.00 0.00 C ATOM 824 O THR A 58 2.517 6.014 -10.357 1.00 0.00 O ATOM 825 CB THR A 58 3.399 4.084 -12.734 1.00 0.00 C ATOM 826 OG1 THR A 58 2.049 4.530 -12.866 1.00 0.00 O ATOM 827 CG2 THR A 58 3.488 2.625 -13.205 1.00 0.00 C ATOM 0 H THR A 58 2.257 3.178 -10.534 1.00 0.00 H new ATOM 0 HA THR A 58 4.966 4.085 -11.265 1.00 0.00 H new ATOM 0 HB THR A 58 4.059 4.683 -13.362 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.752 4.405 -13.792 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.128 2.551 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.524 2.290 -13.159 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.875 1.996 -12.559 1.00 0.00 H new ATOM 835 N ASP A 59 4.578 6.597 -11.007 1.00 0.00 N ATOM 836 CA ASP A 59 4.406 8.016 -10.653 1.00 0.00 C ATOM 837 C ASP A 59 3.596 8.716 -11.753 1.00 0.00 C ATOM 838 O ASP A 59 4.082 8.865 -12.871 1.00 0.00 O ATOM 839 CB ASP A 59 5.780 8.677 -10.513 1.00 0.00 C ATOM 840 CG ASP A 59 5.660 10.137 -10.077 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.264 10.988 -10.903 1.00 0.00 O ATOM 842 OD2 ASP A 59 5.944 10.408 -8.902 1.00 0.00 O ATOM 0 H ASP A 59 5.494 6.369 -11.394 1.00 0.00 H new ATOM 0 HA ASP A 59 3.874 8.099 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.376 8.127 -9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.309 8.623 -11.464 1.00 0.00 H new ATOM 847 N ASN A 60 2.452 9.253 -11.352 1.00 0.00 N ATOM 848 CA ASN A 60 1.602 10.039 -12.268 1.00 0.00 C ATOM 849 C ASN A 60 1.364 11.482 -11.794 1.00 0.00 C ATOM 850 O ASN A 60 0.683 12.262 -12.453 1.00 0.00 O ATOM 851 CB ASN A 60 0.280 9.296 -12.479 1.00 0.00 C ATOM 852 CG ASN A 60 -0.050 9.131 -13.966 1.00 0.00 C ATOM 853 OD1 ASN A 60 0.788 9.149 -14.858 1.00 0.00 O ATOM 854 ND2 ASN A 60 -1.310 8.913 -14.260 1.00 0.00 N ATOM 0 H ASN A 60 2.083 9.166 -10.405 1.00 0.00 H new ATOM 0 HA ASN A 60 2.132 10.134 -13.216 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.336 8.315 -12.008 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.525 9.841 -11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.588 8.759 -15.229 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.011 8.897 -13.519 1.00 0.00 H new ATOM 861 N GLN A 61 1.908 11.790 -10.617 1.00 0.00 N ATOM 862 CA GLN A 61 1.822 13.128 -10.017 1.00 0.00 C ATOM 863 C GLN A 61 2.620 14.154 -10.838 1.00 0.00 C ATOM 864 O GLN A 61 2.006 14.974 -11.510 1.00 0.00 O ATOM 865 CB GLN A 61 2.271 13.064 -8.556 1.00 0.00 C ATOM 866 CG GLN A 61 1.878 14.343 -7.813 1.00 0.00 C ATOM 867 CD GLN A 61 2.248 14.250 -6.336 1.00 0.00 C ATOM 868 OE1 GLN A 61 1.430 14.023 -5.457 1.00 0.00 O ATOM 869 NE2 GLN A 61 3.527 14.268 -6.056 1.00 0.00 N ATOM 0 H GLN A 61 2.423 11.118 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 61 0.786 13.467 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.818 12.201 -8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.351 12.927 -8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.379 15.199 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.806 14.512 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.208 14.458 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.843 14.092 -5.102 1.00 0.00 H new ATOM 983 N ARG A 67 9.154 3.803 -10.698 1.00 0.00 N ATOM 984 CA ARG A 67 7.968 2.949 -10.505 1.00 0.00 C ATOM 985 C ARG A 67 8.399 1.664 -9.789 1.00 0.00 C ATOM 986 O ARG A 67 9.363 1.008 -10.190 1.00 0.00 O ATOM 987 CB ARG A 67 7.325 2.595 -11.853 1.00 0.00 C ATOM 988 CG ARG A 67 7.148 3.810 -12.771 1.00 0.00 C ATOM 989 CD ARG A 67 8.027 3.622 -14.004 1.00 0.00 C ATOM 990 NE ARG A 67 8.250 4.902 -14.693 1.00 0.00 N ATOM 991 CZ ARG A 67 8.492 5.053 -15.998 1.00 0.00 C ATOM 992 NH1 ARG A 67 8.469 4.027 -16.840 1.00 0.00 N ATOM 993 NH2 ARG A 67 8.741 6.255 -16.492 1.00 0.00 N ATOM 0 HA ARG A 67 7.233 3.489 -9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.941 1.851 -12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.352 2.136 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.103 3.914 -13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.424 4.724 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.984 3.192 -13.710 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.556 2.915 -14.687 1.00 0.00 H new ATOM 0 HE ARG A 67 8.217 5.748 -14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.262 3.089 -16.496 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.658 4.176 -17.831 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.748 7.068 -15.876 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.926 6.369 -17.489 1.00 0.00 H new ATOM 1007 N ARG A 68 7.683 1.347 -8.718 1.00 0.00 N ATOM 1008 CA ARG A 68 7.953 0.137 -7.922 1.00 0.00 C ATOM 1009 C ARG A 68 6.819 -0.872 -8.137 1.00 0.00 C ATOM 1010 O ARG A 68 5.646 -0.513 -8.138 1.00 0.00 O ATOM 1011 CB ARG A 68 8.028 0.480 -6.430 1.00 0.00 C ATOM 1012 CG ARG A 68 8.835 -0.564 -5.650 1.00 0.00 C ATOM 1013 CD ARG A 68 10.331 -0.245 -5.734 1.00 0.00 C ATOM 1014 NE ARG A 68 11.142 -1.438 -5.430 1.00 0.00 N ATOM 1015 CZ ARG A 68 11.619 -2.300 -6.335 1.00 0.00 C ATOM 1016 NH1 ARG A 68 11.380 -2.152 -7.632 1.00 0.00 N ATOM 1017 NH2 ARG A 68 12.361 -3.328 -5.952 1.00 0.00 N ATOM 0 H ARG A 68 6.905 1.909 -8.372 1.00 0.00 H new ATOM 0 HA ARG A 68 8.906 -0.285 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.485 1.462 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.020 0.543 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.516 -0.577 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.644 -1.558 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.574 0.120 -6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.576 0.554 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 68 11.357 -1.621 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.820 -1.366 -7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.756 -2.825 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.571 -3.465 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.722 -3.983 -6.646 1.00 0.00 H new ATOM 1031 N HIS A 69 7.205 -2.123 -8.348 1.00 0.00 N ATOM 1032 CA HIS A 69 6.234 -3.218 -8.485 1.00 0.00 C ATOM 1033 C HIS A 69 6.581 -4.375 -7.532 1.00 0.00 C ATOM 1034 O HIS A 69 7.725 -4.827 -7.485 1.00 0.00 O ATOM 1035 CB HIS A 69 6.124 -3.600 -9.972 1.00 0.00 C ATOM 1036 CG HIS A 69 6.638 -4.991 -10.353 1.00 0.00 C ATOM 1037 ND1 HIS A 69 7.918 -5.295 -10.494 1.00 0.00 N ATOM 1038 CD2 HIS A 69 5.916 -6.096 -10.484 1.00 0.00 C ATOM 1039 CE1 HIS A 69 7.996 -6.609 -10.704 1.00 0.00 C ATOM 1040 NE2 HIS A 69 6.762 -7.103 -10.696 1.00 0.00 N ATOM 0 H HIS A 69 8.180 -2.412 -8.429 1.00 0.00 H new ATOM 0 HA HIS A 69 5.237 -2.906 -8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.077 -3.529 -10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.671 -2.861 -10.557 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.840 -6.166 -10.429 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.904 -7.174 -10.854 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.507 -8.082 -10.829 1.00 0.00 H new ATOM 1048 N TYR A 70 5.565 -4.836 -6.819 1.00 0.00 N ATOM 1049 CA TYR A 70 5.676 -5.945 -5.861 1.00 0.00 C ATOM 1050 C TYR A 70 4.676 -7.066 -6.223 1.00 0.00 C ATOM 1051 O TYR A 70 3.468 -6.817 -6.265 1.00 0.00 O ATOM 1052 CB TYR A 70 5.505 -5.412 -4.427 1.00 0.00 C ATOM 1053 CG TYR A 70 4.084 -4.989 -4.068 1.00 0.00 C ATOM 1054 CD1 TYR A 70 3.613 -3.713 -4.358 1.00 0.00 C ATOM 1055 CD2 TYR A 70 3.229 -5.935 -3.516 1.00 0.00 C ATOM 1056 CE1 TYR A 70 2.299 -3.390 -4.072 1.00 0.00 C ATOM 1057 CE2 TYR A 70 1.910 -5.620 -3.258 1.00 0.00 C ATOM 1058 CZ TYR A 70 1.448 -4.341 -3.516 1.00 0.00 C ATOM 1059 OH TYR A 70 0.152 -4.060 -3.256 1.00 0.00 O ATOM 0 H TYR A 70 4.623 -4.450 -6.885 1.00 0.00 H new ATOM 0 HA TYR A 70 6.669 -6.392 -5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.828 -6.183 -3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.169 -4.559 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.269 -2.979 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.599 -6.924 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.932 -2.396 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.242 -6.368 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 70 0.092 -3.514 -2.444 1.00 0.00 H new ATOM 1069 N PRO A 71 5.156 -8.212 -6.713 1.00 0.00 N ATOM 1070 CA PRO A 71 4.279 -9.371 -6.979 1.00 0.00 C ATOM 1071 C PRO A 71 3.725 -9.953 -5.673 1.00 0.00 C ATOM 1072 O PRO A 71 4.273 -9.702 -4.600 1.00 0.00 O ATOM 1073 CB PRO A 71 5.156 -10.354 -7.757 1.00 0.00 C ATOM 1074 CG PRO A 71 6.579 -10.018 -7.313 1.00 0.00 C ATOM 1075 CD PRO A 71 6.550 -8.503 -7.100 1.00 0.00 C ATOM 0 HA PRO A 71 3.392 -9.109 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.899 -11.387 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.035 -10.230 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.847 -10.545 -6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.311 -10.301 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.250 -8.198 -6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.830 -7.969 -8.008 1.00 0.00 H new ATOM 1083 N LEU A 72 2.658 -10.745 -5.779 1.00 0.00 N ATOM 1084 CA LEU A 72 2.075 -11.475 -4.626 1.00 0.00 C ATOM 1085 C LEU A 72 3.081 -12.366 -3.865 1.00 0.00 C ATOM 1086 O LEU A 72 2.973 -12.544 -2.656 1.00 0.00 O ATOM 1087 CB LEU A 72 0.858 -12.289 -5.066 1.00 0.00 C ATOM 1088 CG LEU A 72 -0.317 -12.180 -4.085 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.043 -10.838 -4.228 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -1.286 -13.344 -4.298 1.00 0.00 C ATOM 0 H LEU A 72 2.166 -10.906 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 72 1.767 -10.708 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.536 -11.949 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.144 -13.336 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 72 0.080 -12.231 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.870 -10.794 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.347 -10.024 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.430 -10.740 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.117 -13.259 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.668 -13.318 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.765 -14.287 -4.130 1.00 0.00 H new ATOM 1102 N ASN A 73 4.190 -12.664 -4.546 1.00 0.00 N ATOM 1103 CA ASN A 73 5.374 -13.341 -3.980 1.00 0.00 C ATOM 1104 C ASN A 73 6.085 -12.546 -2.867 1.00 0.00 C ATOM 1105 O ASN A 73 7.043 -13.038 -2.273 1.00 0.00 O ATOM 1106 CB ASN A 73 6.363 -13.636 -5.110 1.00 0.00 C ATOM 1107 CG ASN A 73 6.461 -15.138 -5.384 1.00 0.00 C ATOM 1108 OD1 ASN A 73 5.499 -15.890 -5.350 1.00 0.00 O ATOM 1109 ND2 ASN A 73 7.649 -15.595 -5.702 1.00 0.00 N ATOM 0 H ASN A 73 4.299 -12.437 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 73 5.016 -14.257 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.048 -13.119 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.347 -13.247 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.773 -16.583 -5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.449 -14.962 -5.729 1.00 0.00 H new ATOM 1116 N THR A 74 5.772 -11.253 -2.806 1.00 0.00 N ATOM 1117 CA THR A 74 6.293 -10.322 -1.789 1.00 0.00 C ATOM 1118 C THR A 74 5.170 -9.460 -1.177 1.00 0.00 C ATOM 1119 O THR A 74 5.198 -8.233 -1.215 1.00 0.00 O ATOM 1120 CB THR A 74 7.475 -9.527 -2.377 1.00 0.00 C ATOM 1121 OG1 THR A 74 8.188 -8.886 -1.320 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.116 -8.510 -3.466 1.00 0.00 C ATOM 0 H THR A 74 5.139 -10.809 -3.471 1.00 0.00 H new ATOM 0 HA THR A 74 6.689 -10.880 -0.940 1.00 0.00 H new ATOM 0 HB THR A 74 8.095 -10.265 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.941 -8.381 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.021 -8.008 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.647 -9.025 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.424 -7.772 -3.061 1.00 0.00 H new ATOM 1130 N VAL A 75 4.102 -10.127 -0.741 1.00 0.00 N ATOM 1131 CA VAL A 75 2.930 -9.473 -0.114 1.00 0.00 C ATOM 1132 C VAL A 75 1.910 -10.516 0.357 1.00 0.00 C ATOM 1133 O VAL A 75 1.314 -11.251 -0.426 1.00 0.00 O ATOM 1134 CB VAL A 75 2.286 -8.393 -1.016 1.00 0.00 C ATOM 1135 CG1 VAL A 75 1.801 -8.944 -2.359 1.00 0.00 C ATOM 1136 CG2 VAL A 75 1.176 -7.615 -0.299 1.00 0.00 C ATOM 0 H VAL A 75 4.015 -11.141 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 75 3.295 -8.940 0.764 1.00 0.00 H new ATOM 0 HB VAL A 75 3.087 -7.687 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.360 -8.138 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.644 -9.369 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.053 -9.718 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.758 -6.870 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.391 -8.304 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.589 -7.117 0.578 1.00 0.00 H new ATOM 1146 N THR A 76 1.796 -10.578 1.672 1.00 0.00 N ATOM 1147 CA THR A 76 0.883 -11.535 2.334 1.00 0.00 C ATOM 1148 C THR A 76 -0.220 -10.829 3.138 1.00 0.00 C ATOM 1149 O THR A 76 -1.218 -11.428 3.531 1.00 0.00 O ATOM 1150 CB THR A 76 1.657 -12.500 3.245 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.246 -11.781 4.333 1.00 0.00 O ATOM 1152 CG2 THR A 76 2.735 -13.277 2.478 1.00 0.00 C ATOM 0 H THR A 76 2.318 -9.983 2.315 1.00 0.00 H new ATOM 0 HA THR A 76 0.403 -12.104 1.538 1.00 0.00 H new ATOM 0 HB THR A 76 0.945 -13.228 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.736 -12.404 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.257 -13.947 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.268 -13.860 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.447 -12.577 2.042 1.00 0.00 H new ATOM 1160 N PHE A 77 0.008 -9.543 3.386 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.851 -8.701 4.223 1.00 0.00 C ATOM 1162 C PHE A 77 -1.033 -7.351 3.538 1.00 0.00 C ATOM 1163 O PHE A 77 -0.039 -6.721 3.200 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.131 -8.494 5.552 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.089 -8.796 6.684 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.936 -7.806 7.160 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -1.163 -10.091 7.184 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.848 -8.099 8.148 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -2.088 -10.388 8.168 1.00 0.00 C ATOM 1170 CZ PHE A 77 -2.935 -9.399 8.650 1.00 0.00 C ATOM 0 H PHE A 77 0.811 -9.043 3.004 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.825 -9.164 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.741 -9.145 5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.231 -7.469 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.880 -6.806 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.504 -10.859 6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.495 -7.325 8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.152 -11.391 8.562 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.661 -9.635 9.413 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.265 -7.054 3.158 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.609 -5.783 2.495 1.00 0.00 C ATOM 1182 C CYS A 78 -3.969 -5.258 2.962 1.00 0.00 C ATOM 1183 O CYS A 78 -5.024 -5.631 2.451 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.515 -5.951 0.971 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.115 -7.559 0.329 1.00 0.00 S ATOM 0 H CYS A 78 -3.061 -7.677 3.295 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.887 -5.019 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.085 -5.152 0.497 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.475 -5.822 0.670 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.361 -7.721 0.661 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.895 -4.512 4.060 1.00 0.00 N ATOM 1192 CA ASP A 79 -5.095 -3.951 4.701 1.00 0.00 C ATOM 1193 C ASP A 79 -4.889 -2.487 5.119 1.00 0.00 C ATOM 1194 O ASP A 79 -3.782 -1.951 5.088 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.620 -4.828 5.854 1.00 0.00 C ATOM 1196 CG ASP A 79 -4.754 -4.877 7.117 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -3.932 -3.958 7.294 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -4.996 -5.794 7.927 1.00 0.00 O ATOM 0 H ASP A 79 -3.020 -4.278 4.530 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.881 -3.954 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.611 -4.470 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.741 -5.845 5.482 1.00 0.00 H new ATOM 1203 N LEU A 80 -6.000 -1.843 5.444 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.989 -0.498 6.048 1.00 0.00 C ATOM 1205 C LEU A 80 -5.216 -0.514 7.366 1.00 0.00 C ATOM 1206 O LEU A 80 -5.043 -1.555 7.998 1.00 0.00 O ATOM 1207 CB LEU A 80 -7.437 -0.045 6.291 1.00 0.00 C ATOM 1208 CG LEU A 80 -8.179 0.609 5.111 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.917 2.112 5.075 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.799 0.024 3.756 1.00 0.00 C ATOM 0 H LEU A 80 -6.935 -2.226 5.302 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.496 0.199 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.013 -0.913 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.435 0.661 7.121 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.236 0.403 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.451 2.554 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.265 2.564 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.848 2.292 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.359 0.531 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.731 0.162 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.034 -1.040 3.740 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.750 0.662 7.755 1.00 0.00 N ATOM 1223 CA ASP A 81 -4.033 0.804 9.029 1.00 0.00 C ATOM 1224 C ASP A 81 -4.879 0.288 10.221 1.00 0.00 C ATOM 1225 O ASP A 81 -5.936 0.865 10.487 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.665 2.277 9.199 1.00 0.00 C ATOM 1227 CG ASP A 81 -2.989 2.513 10.545 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -2.183 1.658 10.973 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -3.478 3.422 11.232 1.00 0.00 O ATOM 0 H ASP A 81 -4.849 1.526 7.221 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.129 0.195 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.999 2.586 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.562 2.892 9.124 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.340 -0.647 11.022 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.993 -1.140 12.252 1.00 0.00 C ATOM 1236 C PRO A 82 -5.049 -0.100 13.389 1.00 0.00 C ATOM 1237 O PRO A 82 -5.631 -0.354 14.437 1.00 0.00 O ATOM 1238 CB PRO A 82 -4.193 -2.385 12.641 1.00 0.00 C ATOM 1239 CG PRO A 82 -2.784 -2.062 12.152 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.038 -1.319 10.841 1.00 0.00 C ATOM 0 HA PRO A 82 -6.045 -1.360 12.072 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.216 -2.558 13.717 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.588 -3.282 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.240 -1.445 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.194 -2.965 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.247 -0.597 10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.065 -2.008 9.997 1.00 0.00 H new ATOM 1248 N GLN A 83 -4.431 1.058 13.160 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.491 2.215 14.069 1.00 0.00 C ATOM 1250 C GLN A 83 -5.471 3.316 13.622 1.00 0.00 C ATOM 1251 O GLN A 83 -5.478 4.400 14.199 1.00 0.00 O ATOM 1252 CB GLN A 83 -3.076 2.788 14.219 1.00 0.00 C ATOM 1253 CG GLN A 83 -2.362 2.232 15.452 1.00 0.00 C ATOM 1254 CD GLN A 83 -3.037 2.703 16.745 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.462 3.837 16.914 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -3.116 1.823 17.714 1.00 0.00 N ATOM 0 H GLN A 83 -3.865 1.227 12.328 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.877 1.858 15.024 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.494 2.556 13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.130 3.874 14.290 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.362 1.143 15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.320 2.551 15.446 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.762 0.877 17.574 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.532 2.085 18.608 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.288 3.032 12.597 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.306 3.970 12.064 1.00 0.00 C ATOM 1267 C GLU A 84 -6.773 5.412 11.898 1.00 0.00 C ATOM 1268 O GLU A 84 -7.346 6.394 12.367 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.557 3.896 12.951 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.713 3.122 12.309 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.529 4.002 11.358 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -11.344 4.795 11.879 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -10.342 3.846 10.130 1.00 0.00 O ATOM 0 H GLU A 84 -6.266 2.139 12.105 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.570 3.663 11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.295 3.424 13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.891 4.908 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.318 2.266 11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.365 2.729 13.089 1.00 0.00 H new ATOM 1280 N ARG A 85 -5.582 5.464 11.311 1.00 0.00 N ATOM 1281 CA ARG A 85 -4.831 6.703 11.042 1.00 0.00 C ATOM 1282 C ARG A 85 -5.101 7.185 9.617 1.00 0.00 C ATOM 1283 O ARG A 85 -5.657 6.466 8.782 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.326 6.484 11.219 1.00 0.00 C ATOM 1285 CG ARG A 85 -2.946 6.295 12.687 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.068 7.450 13.172 1.00 0.00 C ATOM 1287 NE ARG A 85 -1.948 7.382 14.638 1.00 0.00 N ATOM 1288 CZ ARG A 85 -2.841 7.826 15.530 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -3.975 8.413 15.163 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -2.610 7.681 16.824 1.00 0.00 N ATOM 0 H ARG A 85 -5.092 4.626 10.997 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.165 7.456 11.756 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.017 5.608 10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.785 7.337 10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.848 6.237 13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.415 5.351 12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.082 7.392 12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.503 8.404 12.874 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.100 6.954 15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.188 8.537 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.633 8.739 15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.751 7.231 17.142 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.290 8.019 17.505 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.701 8.428 9.387 1.00 0.00 N ATOM 1305 CA LYS A 86 -4.932 9.128 8.111 1.00 0.00 C ATOM 1306 C LYS A 86 -3.721 10.024 7.836 1.00 0.00 C ATOM 1307 O LYS A 86 -3.188 10.656 8.749 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.222 9.966 8.176 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.438 9.104 8.541 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.762 9.862 8.618 1.00 0.00 C ATOM 1311 CE LYS A 86 -9.782 9.068 9.441 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.505 9.172 10.884 1.00 0.00 N ATOM 0 H LYS A 86 -4.204 8.990 10.078 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.053 8.404 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.104 10.760 8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.393 10.448 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.535 8.307 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.252 8.628 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.603 10.841 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.149 10.034 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.786 9.438 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.760 8.021 9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.341 8.865 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.695 8.566 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.283 10.159 11.125 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.247 9.957 6.599 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.120 10.794 6.150 1.00 0.00 C ATOM 1328 C TRP A 87 -2.577 12.256 6.026 1.00 0.00 C ATOM 1329 O TRP A 87 -3.759 12.567 5.853 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.550 10.275 4.826 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.232 10.965 4.437 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.103 12.026 3.640 1.00 0.00 C ATOM 1333 CD2 TRP A 87 1.041 10.591 4.817 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.186 12.338 3.515 1.00 0.00 N ATOM 1335 CE2 TRP A 87 1.920 11.484 4.209 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.531 9.541 5.576 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.292 11.325 4.353 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.896 9.432 5.780 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.781 10.311 5.160 1.00 0.00 C ATOM 0 H TRP A 87 -3.619 9.335 5.882 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.322 10.742 6.891 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.384 9.200 4.903 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.283 10.428 4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.919 12.552 3.168 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.551 13.117 2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.855 8.815 6.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.973 11.987 3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.279 8.657 6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.845 10.202 5.308 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.274 15.585 4.099 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.429 14.491 4.612 1.00 0.00 C ATOM 1439 C PRO A 95 -7.630 13.216 3.784 1.00 0.00 C ATOM 1440 O PRO A 95 -8.670 13.010 3.157 1.00 0.00 O ATOM 1441 CB PRO A 95 -7.841 14.328 6.078 1.00 0.00 C ATOM 1442 CG PRO A 95 -9.315 14.737 6.088 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.405 15.830 5.022 1.00 0.00 C ATOM 0 HA PRO A 95 -6.363 14.706 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.708 13.301 6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.245 14.962 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.964 13.894 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.619 15.108 7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.358 15.784 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.336 16.821 5.471 1.00 0.00 H new ATOM 1451 N ALA A 96 -6.576 12.413 3.741 1.00 0.00 N ATOM 1452 CA ALA A 96 -6.598 11.131 3.020 1.00 0.00 C ATOM 1453 C ALA A 96 -6.394 10.002 4.030 1.00 0.00 C ATOM 1454 O ALA A 96 -5.536 10.097 4.908 1.00 0.00 O ATOM 1455 CB ALA A 96 -5.475 11.118 1.979 1.00 0.00 C ATOM 0 H ALA A 96 -5.687 12.621 4.197 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.552 10.996 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.488 10.169 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.623 11.936 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.514 11.239 2.479 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.195 8.949 3.882 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.078 7.740 4.722 1.00 0.00 C ATOM 1463 C LYS A 97 -5.672 7.126 4.629 1.00 0.00 C ATOM 1464 O LYS A 97 -4.838 7.575 3.843 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.141 6.701 4.346 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.453 6.965 5.088 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.023 5.641 5.604 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.121 5.847 6.650 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.472 5.936 6.075 1.00 0.00 N ATOM 0 H LYS A 97 -7.939 8.901 3.186 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.246 8.045 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.316 6.727 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.778 5.701 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.282 7.648 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.169 7.447 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.425 5.071 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.219 5.047 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.092 5.023 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.912 6.759 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.165 6.075 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.517 6.739 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.691 5.057 5.565 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.429 6.080 5.405 1.00 0.00 N ATOM 1484 CA LEU A 98 -4.102 5.453 5.406 1.00 0.00 C ATOM 1485 C LEU A 98 -4.222 3.930 5.376 1.00 0.00 C ATOM 1486 O LEU A 98 -5.059 3.322 6.049 1.00 0.00 O ATOM 1487 CB LEU A 98 -3.302 6.009 6.595 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.771 5.955 6.480 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -1.266 4.531 6.646 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -1.240 6.515 5.157 1.00 0.00 C ATOM 0 H LEU A 98 -6.111 5.651 6.031 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.547 5.703 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.596 7.048 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.596 5.460 7.490 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.396 6.589 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.179 4.518 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.558 4.153 7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.698 3.899 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.152 6.446 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.651 5.940 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.539 7.559 5.058 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.437 3.359 4.476 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.396 1.910 4.245 1.00 0.00 C ATOM 1504 C PHE A 99 -1.986 1.480 3.829 1.00 0.00 C ATOM 1505 O PHE A 99 -1.281 2.193 3.118 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.439 1.534 3.180 1.00 0.00 C ATOM 1507 CG PHE A 99 -4.026 1.793 1.731 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -3.326 0.784 1.075 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -4.338 2.972 1.056 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -2.952 0.938 -0.244 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.980 3.119 -0.274 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.290 2.103 -0.931 1.00 0.00 C ATOM 0 H PHE A 99 -2.802 3.886 3.876 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.641 1.382 5.167 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.677 0.476 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.355 2.089 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.074 -0.125 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.857 3.768 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.398 0.157 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.237 4.025 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.018 2.217 -1.970 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.660 0.246 4.197 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.339 -0.304 3.885 1.00 0.00 C ATOM 1524 C GLY A 100 -0.361 -1.825 3.844 1.00 0.00 C ATOM 1525 O GLY A 100 -1.238 -2.484 4.404 1.00 0.00 O ATOM 0 H GLY A 100 -2.279 -0.387 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.002 0.082 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.381 0.030 4.632 1.00 0.00 H new ATOM 1529 N PHE A 101 0.620 -2.340 3.128 1.00 0.00 N ATOM 1530 CA PHE A 101 0.808 -3.787 3.025 1.00 0.00 C ATOM 1531 C PHE A 101 2.198 -4.211 3.506 1.00 0.00 C ATOM 1532 O PHE A 101 3.165 -3.446 3.473 1.00 0.00 O ATOM 1533 CB PHE A 101 0.515 -4.265 1.596 1.00 0.00 C ATOM 1534 CG PHE A 101 1.436 -3.699 0.533 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.769 -4.099 0.486 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.954 -2.736 -0.343 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.632 -3.522 -0.417 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.814 -2.175 -1.260 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.157 -2.550 -1.293 1.00 0.00 C ATOM 0 H PHE A 101 1.301 -1.786 2.608 1.00 0.00 H new ATOM 0 HA PHE A 101 0.093 -4.274 3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.581 -5.353 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.512 -4.002 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.126 -4.864 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.081 -2.431 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.669 -3.821 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.446 -1.439 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.829 -2.086 -1.999 1.00 0.00 H new ATOM 1549 N VAL A 102 2.262 -5.494 3.817 1.00 0.00 N ATOM 1550 CA VAL A 102 3.464 -6.212 4.260 1.00 0.00 C ATOM 1551 C VAL A 102 3.958 -7.089 3.102 1.00 0.00 C ATOM 1552 O VAL A 102 3.287 -8.033 2.675 1.00 0.00 O ATOM 1553 CB VAL A 102 3.092 -7.022 5.513 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.101 -8.114 5.874 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.923 -6.068 6.696 1.00 0.00 C ATOM 0 H VAL A 102 1.443 -6.100 3.768 1.00 0.00 H new ATOM 0 HA VAL A 102 4.279 -5.539 4.527 1.00 0.00 H new ATOM 0 HB VAL A 102 2.159 -7.537 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.765 -8.638 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.183 -8.821 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.075 -7.662 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.659 -6.637 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.858 -5.534 6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.132 -5.352 6.475 1.00 0.00 H new ATOM 1565 N ALA A 103 5.087 -6.641 2.569 1.00 0.00 N ATOM 1566 CA ALA A 103 5.820 -7.337 1.501 1.00 0.00 C ATOM 1567 C ALA A 103 6.723 -8.455 2.049 1.00 0.00 C ATOM 1568 O ALA A 103 7.793 -8.172 2.588 1.00 0.00 O ATOM 1569 CB ALA A 103 6.630 -6.302 0.711 1.00 0.00 C ATOM 0 H ALA A 103 5.532 -5.772 2.865 1.00 0.00 H new ATOM 0 HA ALA A 103 5.103 -7.827 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.180 -6.802 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.954 -5.565 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.332 -5.803 1.379 1.00 0.00 H new ATOM 1575 N ARG A 104 6.266 -9.698 1.891 1.00 0.00 N ATOM 1576 CA ARG A 104 6.982 -10.889 2.389 1.00 0.00 C ATOM 1577 C ARG A 104 7.531 -11.704 1.213 1.00 0.00 C ATOM 1578 O ARG A 104 6.796 -12.436 0.553 1.00 0.00 O ATOM 1579 CB ARG A 104 6.071 -11.768 3.259 1.00 0.00 C ATOM 1580 CG ARG A 104 6.875 -12.781 4.085 1.00 0.00 C ATOM 1581 CD ARG A 104 6.541 -14.220 3.702 1.00 0.00 C ATOM 1582 NE ARG A 104 6.038 -14.928 4.892 1.00 0.00 N ATOM 1583 CZ ARG A 104 5.772 -16.235 4.978 1.00 0.00 C ATOM 1584 NH1 ARG A 104 5.950 -17.053 3.949 1.00 0.00 N ATOM 1585 NH2 ARG A 104 5.321 -16.750 6.110 1.00 0.00 N ATOM 0 H ARG A 104 5.390 -9.915 1.415 1.00 0.00 H new ATOM 0 HA ARG A 104 7.811 -10.547 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.487 -11.136 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.363 -12.299 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.941 -12.604 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.669 -12.630 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.792 -14.235 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.427 -14.721 3.312 1.00 0.00 H new ATOM 0 HE ARG A 104 5.878 -14.368 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.299 -16.689 3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.738 -18.046 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.175 -16.149 6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.119 -17.748 6.172 1.00 0.00 H new ATOM 1684 N ASP A 111 12.894 -10.516 6.075 1.00 0.00 N ATOM 1685 CA ASP A 111 13.116 -9.133 5.621 1.00 0.00 C ATOM 1686 C ASP A 111 11.940 -8.636 4.774 1.00 0.00 C ATOM 1687 O ASP A 111 11.862 -8.831 3.563 1.00 0.00 O ATOM 1688 CB ASP A 111 14.448 -9.055 4.856 1.00 0.00 C ATOM 1689 CG ASP A 111 14.567 -9.952 3.611 1.00 0.00 C ATOM 1690 OD1 ASP A 111 13.798 -10.936 3.492 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.502 -9.682 2.829 1.00 0.00 O ATOM 0 HA ASP A 111 13.177 -8.474 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.608 -8.021 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.254 -9.313 5.543 1.00 0.00 H new ATOM 1696 N ASN A 112 10.990 -8.063 5.487 1.00 0.00 N ATOM 1697 CA ASN A 112 9.784 -7.502 4.864 1.00 0.00 C ATOM 1698 C ASN A 112 9.802 -5.977 4.920 1.00 0.00 C ATOM 1699 O ASN A 112 10.415 -5.383 5.808 1.00 0.00 O ATOM 1700 CB ASN A 112 8.536 -7.994 5.580 1.00 0.00 C ATOM 1701 CG ASN A 112 8.033 -9.381 5.222 1.00 0.00 C ATOM 1702 OD1 ASN A 112 6.836 -9.614 5.209 1.00 0.00 O ATOM 1703 ND2 ASN A 112 8.926 -10.318 5.031 1.00 0.00 N ATOM 0 H ASN A 112 11.021 -7.968 6.502 1.00 0.00 H new ATOM 0 HA ASN A 112 9.770 -7.830 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.730 -7.971 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.733 -7.283 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.629 -11.279 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 112 9.919 -10.087 5.049 1.00 0.00 H new ATOM 1710 N VAL A 113 9.079 -5.398 3.974 1.00 0.00 N ATOM 1711 CA VAL A 113 8.941 -3.939 3.892 1.00 0.00 C ATOM 1712 C VAL A 113 7.455 -3.565 3.965 1.00 0.00 C ATOM 1713 O VAL A 113 6.610 -4.145 3.277 1.00 0.00 O ATOM 1714 CB VAL A 113 9.720 -3.440 2.658 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.912 -3.193 1.376 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.579 -2.242 3.055 1.00 0.00 C ATOM 0 H VAL A 113 8.576 -5.910 3.249 1.00 0.00 H new ATOM 0 HA VAL A 113 9.390 -3.420 4.739 1.00 0.00 H new ATOM 0 HB VAL A 113 10.350 -4.276 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.579 -2.846 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.433 -4.121 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.150 -2.437 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.131 -1.886 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.939 -1.443 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.281 -2.540 3.834 1.00 0.00 H new ATOM 1726 N CYS A 114 7.161 -2.669 4.889 1.00 0.00 N ATOM 1727 CA CYS A 114 5.782 -2.217 5.076 1.00 0.00 C ATOM 1728 C CYS A 114 5.594 -0.889 4.344 1.00 0.00 C ATOM 1729 O CYS A 114 6.300 0.088 4.594 1.00 0.00 O ATOM 1730 CB CYS A 114 5.479 -2.151 6.566 1.00 0.00 C ATOM 1731 SG CYS A 114 3.688 -2.361 6.858 1.00 0.00 S ATOM 0 H CYS A 114 7.842 -2.241 5.516 1.00 0.00 H new ATOM 0 HA CYS A 114 5.064 -2.915 4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.034 -2.928 7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.811 -1.194 6.970 1.00 0.00 H new ATOM 0 HG CYS A 114 3.116 -2.775 5.767 1.00 0.00 H new ATOM 1737 N HIS A 115 4.938 -1.039 3.201 1.00 0.00 N ATOM 1738 CA HIS A 115 4.670 0.103 2.314 1.00 0.00 C ATOM 1739 C HIS A 115 3.466 0.887 2.816 1.00 0.00 C ATOM 1740 O HIS A 115 2.443 0.303 3.163 1.00 0.00 O ATOM 1741 CB HIS A 115 4.379 -0.366 0.897 1.00 0.00 C ATOM 1742 CG HIS A 115 5.492 0.030 -0.077 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.288 -0.824 -0.702 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.801 1.261 -0.471 1.00 0.00 C ATOM 1745 CE1 HIS A 115 7.094 -0.121 -1.499 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.796 1.164 -1.350 1.00 0.00 N ATOM 0 H HIS A 115 4.580 -1.932 2.861 1.00 0.00 H new ATOM 0 HA HIS A 115 5.558 0.735 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.260 -1.449 0.891 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.434 0.060 0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.330 2.174 -0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.855 -0.526 -2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.251 1.943 -1.827 1.00 0.00 H new ATOM 1754 N LEU A 116 3.621 2.199 2.778 1.00 0.00 N ATOM 1755 CA LEU A 116 2.564 3.115 3.213 1.00 0.00 C ATOM 1756 C LEU A 116 1.977 3.866 2.028 1.00 0.00 C ATOM 1757 O LEU A 116 2.692 4.324 1.135 1.00 0.00 O ATOM 1758 CB LEU A 116 3.080 4.096 4.270 1.00 0.00 C ATOM 1759 CG LEU A 116 3.253 3.534 5.686 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.977 2.852 6.158 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.463 2.616 5.819 1.00 0.00 C ATOM 0 H LEU A 116 4.469 2.662 2.450 1.00 0.00 H new ATOM 0 HA LEU A 116 1.774 2.517 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.042 4.486 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.393 4.941 4.318 1.00 0.00 H new ATOM 0 HG LEU A 116 3.449 4.384 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.124 2.461 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.160 3.573 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.732 2.032 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.532 2.250 6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.355 1.771 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.369 3.169 5.570 1.00 0.00 H new ATOM 1773 N PHE A 117 0.655 3.890 2.052 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.162 4.458 0.977 1.00 0.00 C ATOM 1775 C PHE A 117 -1.443 5.089 1.525 1.00 0.00 C ATOM 1776 O PHE A 117 -2.085 4.601 2.452 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.521 3.354 -0.019 1.00 0.00 C ATOM 1778 CG PHE A 117 0.663 2.822 -0.815 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.287 3.659 -1.735 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.133 1.522 -0.636 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.364 3.222 -2.470 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.222 1.094 -1.371 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.848 1.931 -2.282 1.00 0.00 C ATOM 0 H PHE A 117 0.106 3.513 2.825 1.00 0.00 H new ATOM 0 HA PHE A 117 0.415 5.240 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.981 2.527 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.269 3.736 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.921 4.665 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.653 0.858 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.832 3.878 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.592 0.089 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.704 1.584 -2.841 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.754 6.241 0.965 1.00 0.00 N ATOM 1794 CA ALA A 118 -2.977 6.977 1.317 1.00 0.00 C ATOM 1795 C ALA A 118 -3.887 7.075 0.092 1.00 0.00 C ATOM 1796 O ALA A 118 -3.438 7.325 -1.022 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.589 8.370 1.813 1.00 0.00 C ATOM 0 H ALA A 118 -1.179 6.700 0.258 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.518 6.454 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.489 8.926 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.948 8.279 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.053 8.900 1.026 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.163 6.771 0.281 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.129 6.898 -0.825 1.00 0.00 C ATOM 1805 C GLU A 119 -6.313 8.380 -1.189 1.00 0.00 C ATOM 1806 O GLU A 119 -6.590 9.186 -0.306 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.458 6.271 -0.408 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.558 6.423 -1.459 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.558 7.511 -1.066 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.525 7.149 -0.365 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.316 8.671 -1.454 1.00 0.00 O ATOM 0 H GLU A 119 -5.556 6.442 1.163 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.755 6.375 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.303 5.211 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.790 6.728 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.111 6.668 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.080 5.474 -1.582 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.304 8.653 -2.492 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.639 9.999 -3.008 1.00 0.00 C ATOM 1820 C LEU A 120 -7.682 9.983 -4.148 1.00 0.00 C ATOM 1821 O LEU A 120 -7.787 10.878 -4.985 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.356 10.747 -3.392 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.858 10.404 -4.795 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -4.707 11.688 -5.603 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -3.541 9.657 -4.722 1.00 0.00 C ATOM 0 H LEU A 120 -6.071 7.971 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.128 10.544 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.536 11.820 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.575 10.512 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.583 9.756 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.352 11.448 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.672 12.191 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.989 12.345 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.201 9.420 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.797 10.279 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.677 8.734 -4.159 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.533 8.971 -4.095 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.598 8.756 -5.085 1.00 0.00 C ATOM 1839 C ASP A 121 -10.959 8.678 -4.380 1.00 0.00 C ATOM 1840 O ASP A 121 -11.190 7.713 -3.647 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.328 7.493 -5.913 1.00 0.00 C ATOM 1842 CG ASP A 121 -8.295 7.678 -7.034 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -7.719 8.783 -7.148 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.171 6.716 -7.822 1.00 0.00 O ATOM 0 H ASP A 121 -8.511 8.264 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.614 9.601 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -8.984 6.703 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.266 7.154 -6.352 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.850 9.643 -4.651 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.236 9.617 -4.142 1.00 0.00 C ATOM 1851 C PRO A 122 -14.104 8.509 -4.775 1.00 0.00 C ATOM 1852 O PRO A 122 -15.245 8.308 -4.377 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.766 11.027 -4.415 1.00 0.00 C ATOM 1854 CG PRO A 122 -13.006 11.465 -5.666 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.621 10.839 -5.489 1.00 0.00 C ATOM 0 HA PRO A 122 -13.270 9.366 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.843 11.024 -4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.575 11.696 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.492 11.110 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.948 12.551 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.183 10.570 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.932 11.533 -5.008 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.524 7.783 -5.734 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.162 6.630 -6.399 1.00 0.00 C ATOM 1865 C ASP A 123 -13.635 5.283 -5.866 1.00 0.00 C ATOM 1866 O ASP A 123 -14.393 4.334 -5.698 1.00 0.00 O ATOM 1867 CB ASP A 123 -13.907 6.758 -7.905 1.00 0.00 C ATOM 1868 CG ASP A 123 -14.868 5.897 -8.728 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -16.026 6.340 -8.871 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -14.416 4.823 -9.176 1.00 0.00 O ATOM 0 H ASP A 123 -12.584 7.978 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.231 6.640 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.011 7.802 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.880 6.465 -8.124 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.339 5.238 -5.561 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.685 4.037 -5.021 1.00 0.00 C ATOM 1877 C GLN A 124 -11.089 4.325 -3.637 1.00 0.00 C ATOM 1878 O GLN A 124 -9.974 4.845 -3.554 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.638 3.501 -6.005 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.234 2.399 -6.885 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.481 1.120 -6.078 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -12.667 0.978 -5.527 1.00 0.00 O flip ATOM 1883 NE2 GLN A 124 -10.600 0.299 -5.863 1.00 0.00 N flip ATOM 0 H GLN A 124 -11.709 6.031 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.433 3.255 -4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.271 4.314 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.782 3.110 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.172 2.745 -7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.558 2.185 -7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.682 0.412 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.784 -0.499 -5.255 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.896 4.164 -2.577 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.430 4.360 -1.196 1.00 0.00 C ATOM 1894 C PRO A 125 -10.413 3.285 -0.807 1.00 0.00 C ATOM 1895 O PRO A 125 -10.478 2.156 -1.284 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.691 4.350 -0.329 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.689 3.523 -1.133 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.332 3.812 -2.592 1.00 0.00 C ATOM 0 HA PRO A 125 -10.898 5.302 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.500 3.905 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -13.061 5.360 -0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.600 2.461 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.716 3.812 -0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.518 2.943 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.934 4.629 -2.990 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.485 3.669 0.064 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.417 2.778 0.565 1.00 0.00 C ATOM 1908 C ALA A 126 -8.960 1.414 1.020 1.00 0.00 C ATOM 1909 O ALA A 126 -8.530 0.387 0.508 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.688 3.464 1.721 1.00 0.00 C ATOM 0 H ALA A 126 -9.443 4.612 0.451 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.727 2.589 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.900 2.810 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.249 4.398 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.395 3.673 2.524 1.00 0.00 H new ATOM 1916 N ALA A 127 -10.061 1.455 1.778 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.796 0.253 2.217 1.00 0.00 C ATOM 1918 C ALA A 127 -11.219 -0.652 1.050 1.00 0.00 C ATOM 1919 O ALA A 127 -10.808 -1.800 1.029 1.00 0.00 O ATOM 1920 CB ALA A 127 -12.001 0.643 3.075 1.00 0.00 C ATOM 0 H ALA A 127 -10.474 2.327 2.109 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.106 -0.334 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.530 -0.257 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.660 1.189 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.673 1.275 2.494 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.762 -0.057 -0.013 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.092 -0.773 -1.266 1.00 0.00 C ATOM 1928 C ALA A 128 -10.859 -1.327 -2.003 1.00 0.00 C ATOM 1929 O ALA A 128 -10.851 -2.503 -2.361 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.901 0.124 -2.202 1.00 0.00 C ATOM 0 H ALA A 128 -11.989 0.937 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.691 -1.634 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.133 -0.421 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.828 0.420 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.320 1.013 -2.447 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.759 -0.574 -1.978 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.438 -1.018 -2.482 1.00 0.00 C ATOM 1938 C ILE A 129 -7.903 -2.235 -1.700 1.00 0.00 C ATOM 1939 O ILE A 129 -7.272 -3.117 -2.279 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.493 0.208 -2.569 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.653 0.915 -3.929 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.016 -0.018 -2.198 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.263 0.083 -5.161 1.00 0.00 C ATOM 0 H ILE A 129 -9.749 0.375 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.521 -1.405 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.830 0.864 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.692 1.225 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.049 1.822 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.467 0.918 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.949 -0.366 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.584 -0.767 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.414 0.676 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.214 -0.206 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -7.883 -0.812 -5.207 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.309 -2.329 -0.440 1.00 0.00 N ATOM 1956 CA VAL A 130 -8.009 -3.451 0.467 1.00 0.00 C ATOM 1957 C VAL A 130 -9.057 -4.578 0.438 1.00 0.00 C ATOM 1958 O VAL A 130 -8.753 -5.721 0.761 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.694 -2.833 1.836 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -8.053 -3.679 3.066 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.200 -2.495 1.816 1.00 0.00 C ATOM 0 H VAL A 130 -8.876 -1.606 0.002 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.133 -4.008 0.135 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.333 -1.959 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.783 -3.136 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.124 -3.880 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.507 -4.622 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.915 -2.049 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.623 -3.406 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.997 -1.789 1.011 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.268 -4.244 0.014 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.377 -5.195 -0.161 1.00 0.00 C ATOM 1973 C ASN A 131 -11.170 -6.024 -1.438 1.00 0.00 C ATOM 1974 O ASN A 131 -11.431 -7.221 -1.471 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.688 -4.416 -0.242 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.821 -5.246 0.356 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -14.227 -6.279 -0.150 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.302 -4.825 1.503 1.00 0.00 N ATOM 0 H ASN A 131 -10.521 -3.285 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.410 -5.879 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.594 -3.472 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.913 -4.172 -1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.024 -5.364 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.954 -3.959 1.915 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.565 -5.369 -2.426 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.158 -5.969 -3.702 1.00 0.00 C ATOM 1987 C PHE A 132 -8.830 -6.724 -3.563 1.00 0.00 C ATOM 1988 O PHE A 132 -8.768 -7.893 -3.916 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.079 -4.857 -4.755 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.364 -5.305 -6.023 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -7.969 -5.252 -6.057 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -10.069 -5.846 -7.096 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -7.286 -5.762 -7.133 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -9.385 -6.325 -8.190 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.997 -6.300 -8.203 1.00 0.00 C ATOM 0 H PHE A 132 -10.336 -4.377 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.895 -6.708 -4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.087 -4.527 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.559 -3.997 -4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.426 -4.809 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.148 -5.889 -7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -6.206 -5.746 -7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.927 -6.720 -9.037 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.463 -6.702 -9.051 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.786 -6.063 -3.057 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.450 -6.685 -2.922 1.00 0.00 C ATOM 2007 C VAL A 133 -6.459 -7.956 -2.044 1.00 0.00 C ATOM 2008 O VAL A 133 -5.618 -8.832 -2.218 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.416 -5.627 -2.492 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.462 -5.283 -1.000 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.008 -5.991 -2.964 1.00 0.00 C ATOM 0 H VAL A 133 -7.832 -5.097 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.143 -7.053 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.705 -4.707 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.705 -4.532 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.447 -4.891 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.267 -6.181 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.306 -5.222 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.717 -6.950 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.996 -6.061 -4.052 1.00 0.00 H new ATOM 2021 N SER A 134 -7.458 -8.027 -1.167 1.00 0.00 N ATOM 2022 CA SER A 134 -7.721 -9.180 -0.285 1.00 0.00 C ATOM 2023 C SER A 134 -8.636 -10.235 -0.936 1.00 0.00 C ATOM 2024 O SER A 134 -8.494 -11.426 -0.675 1.00 0.00 O ATOM 2025 CB SER A 134 -8.349 -8.680 1.015 1.00 0.00 C ATOM 2026 OG SER A 134 -8.015 -9.553 2.093 1.00 0.00 O ATOM 0 H SER A 134 -8.129 -7.269 -1.041 1.00 0.00 H new ATOM 0 HA SER A 134 -6.767 -9.669 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.998 -7.671 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.432 -8.624 0.906 1.00 0.00 H new ATOM 0 HG SER A 134 -8.422 -9.221 2.921 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.488 -9.808 -1.871 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.370 -10.730 -2.618 1.00 0.00 C ATOM 2034 C ARG A 135 -9.687 -11.313 -3.872 1.00 0.00 C ATOM 2035 O ARG A 135 -9.987 -12.430 -4.291 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.729 -10.060 -2.901 1.00 0.00 C ATOM 2037 CG ARG A 135 -11.909 -9.190 -4.154 1.00 0.00 C ATOM 2038 CD ARG A 135 -12.184 -10.065 -5.377 1.00 0.00 C ATOM 2039 NE ARG A 135 -12.987 -9.331 -6.365 1.00 0.00 N ATOM 2040 CZ ARG A 135 -13.880 -9.874 -7.197 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -14.095 -11.183 -7.247 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -14.571 -9.094 -8.013 1.00 0.00 N ATOM 0 H ARG A 135 -9.591 -8.828 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.571 -11.598 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -12.478 -10.851 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.971 -9.440 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.734 -8.493 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -11.013 -8.592 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.242 -10.379 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.709 -10.970 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.851 -8.322 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.570 -11.810 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.785 -11.562 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.420 -8.085 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.255 -9.502 -8.651 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.826 -10.497 -4.481 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.028 -10.832 -5.676 1.00 0.00 C ATOM 2058 C VAL A 136 -6.961 -11.898 -5.363 1.00 0.00 C ATOM 2059 O VAL A 136 -6.660 -12.749 -6.195 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.458 -9.540 -6.310 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.134 -9.022 -5.728 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -7.384 -9.694 -7.829 1.00 0.00 C ATOM 0 H VAL A 136 -8.654 -9.548 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.673 -11.291 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.167 -8.757 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.837 -8.114 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.263 -8.803 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.361 -9.781 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.982 -8.781 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.735 -10.533 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.383 -9.878 -8.225 1.00 0.00 H new ATOM 2072 N MET A 137 -6.475 -11.868 -4.122 1.00 0.00 N ATOM 2073 CA MET A 137 -5.494 -12.840 -3.601 1.00 0.00 C ATOM 2074 C MET A 137 -6.161 -14.111 -3.028 1.00 0.00 C ATOM 2075 O MET A 137 -5.644 -14.720 -2.092 1.00 0.00 O ATOM 2076 CB MET A 137 -4.596 -12.150 -2.559 1.00 0.00 C ATOM 2077 CG MET A 137 -5.336 -11.757 -1.276 1.00 0.00 C ATOM 2078 SD MET A 137 -4.313 -11.925 0.228 1.00 0.00 S ATOM 2079 CE MET A 137 -5.501 -12.738 1.273 1.00 0.00 C ATOM 0 H MET A 137 -6.750 -11.164 -3.437 1.00 0.00 H new ATOM 0 HA MET A 137 -4.879 -13.181 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.772 -12.816 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.158 -11.257 -3.004 1.00 0.00 H new ATOM 0 HG2 MET A 137 -5.676 -10.725 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A 137 -6.226 -12.378 -1.173 1.00 0.00 H new ATOM 0 HE1 MET A 137 -5.057 -12.928 2.250 1.00 0.00 H new ATOM 0 HE2 MET A 137 -6.378 -12.101 1.391 1.00 0.00 H new ATOM 0 HE3 MET A 137 -5.798 -13.684 0.819 1.00 0.00 H new