USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 483 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 Single : A 1 GLY N :NH3+ -125:sc= 0.0924 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -108:sc= -0.183 (180deg=-1.13) USER MOD Single : A 23 MET CE :methyl 155:sc= -2.91! (180deg=-3.81!) USER MOD Single : A 26 CYS SG : rot 76:sc= -1.49 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -72:sc= 1.02 USER MOD Single : A 35 ASN : amide:sc= 0.00109 K(o=0.0011,f=-1) USER MOD Single : A 36 SER OG : rot 88:sc= 0.158 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.41) USER MOD Single : A 46 MET CE :methyl -115:sc= -0.529 (180deg=-2.85!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -18! C(o=-18!,f=-18!) USER MOD Single : A 49 MET CE :methyl -165:sc= -1.89 (180deg=-3.1!) USER MOD Single : A 56 ASN : amide:sc= -2.94! C(o=-2.9!,f=-9.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.304 30.658 2.561 1.00 0.00 N ATOM 2 CA GLY A 1 7.856 29.293 2.343 1.00 0.00 C ATOM 3 C GLY A 1 6.353 29.248 2.059 1.00 0.00 C ATOM 4 O GLY A 1 5.744 30.273 1.756 1.00 0.00 O ATOM 0 H1 GLY A 1 9.082 30.877 1.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.515 31.314 2.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.636 30.762 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.401 28.857 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.082 28.688 3.221 1.00 0.00 H new ATOM 8 N SER A 2 5.798 28.050 2.169 1.00 0.00 N ATOM 9 CA SER A 2 4.378 27.859 1.928 1.00 0.00 C ATOM 10 C SER A 2 3.981 26.418 2.258 1.00 0.00 C ATOM 11 O SER A 2 4.494 25.476 1.656 1.00 0.00 O ATOM 12 CB SER A 2 4.015 28.190 0.479 1.00 0.00 C ATOM 13 OG SER A 2 2.669 28.641 0.356 1.00 0.00 O ATOM 0 H SER A 2 6.306 27.202 2.422 1.00 0.00 H new ATOM 0 HA SER A 2 3.827 28.540 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.691 28.958 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.159 27.306 -0.142 1.00 0.00 H new ATOM 0 HG SER A 2 2.476 28.844 -0.583 1.00 0.00 H new ATOM 19 N SER A 3 3.071 26.293 3.213 1.00 0.00 N ATOM 20 CA SER A 3 2.600 24.984 3.630 1.00 0.00 C ATOM 21 C SER A 3 3.698 24.255 4.407 1.00 0.00 C ATOM 22 O SER A 3 3.517 23.919 5.576 1.00 0.00 O ATOM 23 CB SER A 3 2.157 24.148 2.427 1.00 0.00 C ATOM 24 OG SER A 3 1.364 24.904 1.515 1.00 0.00 O ATOM 0 H SER A 3 2.648 27.077 3.710 1.00 0.00 H new ATOM 0 HA SER A 3 1.736 25.123 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.036 23.762 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.588 23.286 2.774 1.00 0.00 H new ATOM 0 HG SER A 3 1.102 24.336 0.760 1.00 0.00 H new ATOM 30 N GLY A 4 4.812 24.032 3.726 1.00 0.00 N ATOM 31 CA GLY A 4 5.940 23.349 4.337 1.00 0.00 C ATOM 32 C GLY A 4 6.602 22.390 3.347 1.00 0.00 C ATOM 33 O GLY A 4 7.083 22.811 2.296 1.00 0.00 O ATOM 0 H GLY A 4 4.958 24.312 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.670 24.082 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.603 22.796 5.214 1.00 0.00 H new ATOM 37 N SER A 5 6.607 21.118 3.717 1.00 0.00 N ATOM 38 CA SER A 5 7.203 20.095 2.874 1.00 0.00 C ATOM 39 C SER A 5 6.107 19.298 2.165 1.00 0.00 C ATOM 40 O SER A 5 6.024 19.306 0.937 1.00 0.00 O ATOM 41 CB SER A 5 8.095 19.159 3.692 1.00 0.00 C ATOM 42 OG SER A 5 8.936 18.363 2.861 1.00 0.00 O ATOM 0 H SER A 5 6.208 20.772 4.590 1.00 0.00 H new ATOM 0 HA SER A 5 7.826 20.587 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.710 19.747 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.472 18.509 4.306 1.00 0.00 H new ATOM 0 HG SER A 5 9.491 17.780 3.420 1.00 0.00 H new ATOM 48 N SER A 6 5.292 18.628 2.967 1.00 0.00 N ATOM 49 CA SER A 6 4.205 17.828 2.431 1.00 0.00 C ATOM 50 C SER A 6 4.737 16.872 1.361 1.00 0.00 C ATOM 51 O SER A 6 4.804 17.227 0.185 1.00 0.00 O ATOM 52 CB SER A 6 3.102 18.715 1.850 1.00 0.00 C ATOM 53 OG SER A 6 2.033 17.948 1.302 1.00 0.00 O ATOM 0 H SER A 6 5.363 18.623 3.984 1.00 0.00 H new ATOM 0 HA SER A 6 3.774 17.247 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.715 19.370 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.523 19.356 1.075 1.00 0.00 H new ATOM 0 HG SER A 6 1.349 18.551 0.943 1.00 0.00 H new ATOM 59 N GLY A 7 5.101 15.679 1.807 1.00 0.00 N ATOM 60 CA GLY A 7 5.624 14.670 0.902 1.00 0.00 C ATOM 61 C GLY A 7 4.529 13.687 0.484 1.00 0.00 C ATOM 62 O GLY A 7 4.067 13.715 -0.656 1.00 0.00 O ATOM 0 H GLY A 7 5.044 15.388 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.042 15.151 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.438 14.129 1.386 1.00 0.00 H new ATOM 66 N LEU A 8 4.146 12.840 1.429 1.00 0.00 N ATOM 67 CA LEU A 8 3.114 11.850 1.173 1.00 0.00 C ATOM 68 C LEU A 8 1.738 12.503 1.323 1.00 0.00 C ATOM 69 O LEU A 8 1.634 13.641 1.780 1.00 0.00 O ATOM 70 CB LEU A 8 3.313 10.625 2.067 1.00 0.00 C ATOM 71 CG LEU A 8 3.495 9.289 1.344 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.968 9.042 1.010 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.890 8.140 2.154 1.00 0.00 C ATOM 0 H LEU A 8 4.532 12.819 2.373 1.00 0.00 H new ATOM 0 HA LEU A 8 3.184 11.484 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.187 10.797 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.453 10.542 2.732 1.00 0.00 H new ATOM 0 HG LEU A 8 2.954 9.336 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.069 8.086 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.334 9.841 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.552 9.023 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.033 7.202 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.381 8.081 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.824 8.317 2.297 1.00 0.00 H new ATOM 85 N ASP A 9 0.718 11.756 0.929 1.00 0.00 N ATOM 86 CA ASP A 9 -0.647 12.248 1.013 1.00 0.00 C ATOM 87 C ASP A 9 -1.557 11.129 1.521 1.00 0.00 C ATOM 88 O ASP A 9 -1.560 10.028 0.972 1.00 0.00 O ATOM 89 CB ASP A 9 -1.159 12.689 -0.359 1.00 0.00 C ATOM 90 CG ASP A 9 -1.736 14.105 -0.410 1.00 0.00 C ATOM 91 OD1 ASP A 9 -2.956 14.230 -0.171 1.00 0.00 O ATOM 92 OD2 ASP A 9 -0.943 15.031 -0.688 1.00 0.00 O ATOM 0 H ASP A 9 0.809 10.813 0.550 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.657 13.101 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.340 12.621 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.927 11.988 -0.686 1.00 0.00 H new ATOM 97 N GLU A 10 -2.309 11.448 2.564 1.00 0.00 N ATOM 98 CA GLU A 10 -3.222 10.483 3.152 1.00 0.00 C ATOM 99 C GLU A 10 -4.514 10.408 2.336 1.00 0.00 C ATOM 100 O GLU A 10 -5.074 9.329 2.151 1.00 0.00 O ATOM 101 CB GLU A 10 -3.517 10.827 4.614 1.00 0.00 C ATOM 102 CG GLU A 10 -4.278 12.150 4.723 1.00 0.00 C ATOM 103 CD GLU A 10 -4.686 12.429 6.171 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.875 13.069 6.876 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.799 11.997 6.541 1.00 0.00 O ATOM 0 H GLU A 10 -2.305 12.362 3.017 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.745 9.503 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.103 10.028 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.583 10.894 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.654 12.964 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.166 12.116 4.091 1.00 0.00 H new ATOM 112 N SER A 11 -4.949 11.569 1.869 1.00 0.00 N ATOM 113 CA SER A 11 -6.164 11.649 1.076 1.00 0.00 C ATOM 114 C SER A 11 -6.145 10.582 -0.020 1.00 0.00 C ATOM 115 O SER A 11 -7.179 9.997 -0.340 1.00 0.00 O ATOM 116 CB SER A 11 -6.330 13.040 0.460 1.00 0.00 C ATOM 117 OG SER A 11 -7.701 13.380 0.271 1.00 0.00 O ATOM 0 H SER A 11 -4.482 12.462 2.025 1.00 0.00 H new ATOM 0 HA SER A 11 -7.014 11.469 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.858 13.781 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.812 13.076 -0.498 1.00 0.00 H new ATOM 0 HG SER A 11 -7.765 14.275 -0.122 1.00 0.00 H new ATOM 123 N VAL A 12 -4.958 10.360 -0.565 1.00 0.00 N ATOM 124 CA VAL A 12 -4.791 9.373 -1.618 1.00 0.00 C ATOM 125 C VAL A 12 -4.925 7.970 -1.023 1.00 0.00 C ATOM 126 O VAL A 12 -5.534 7.090 -1.630 1.00 0.00 O ATOM 127 CB VAL A 12 -3.457 9.593 -2.335 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.202 8.495 -3.369 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.404 10.979 -2.982 1.00 0.00 C ATOM 0 H VAL A 12 -4.103 10.847 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.572 9.483 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.664 9.541 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.248 8.676 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.175 7.526 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.001 8.500 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.446 11.109 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.211 11.072 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.518 11.744 -2.214 1.00 0.00 H new ATOM 139 N ILE A 13 -4.347 7.805 0.158 1.00 0.00 N ATOM 140 CA ILE A 13 -4.395 6.524 0.842 1.00 0.00 C ATOM 141 C ILE A 13 -5.847 6.188 1.185 1.00 0.00 C ATOM 142 O ILE A 13 -6.330 5.104 0.863 1.00 0.00 O ATOM 143 CB ILE A 13 -3.461 6.529 2.054 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.023 6.843 1.638 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.560 5.213 2.827 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.262 7.532 2.772 1.00 0.00 C ATOM 0 H ILE A 13 -3.843 8.537 0.658 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.030 5.730 0.191 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.781 7.324 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.512 5.921 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.027 7.484 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.886 5.242 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.583 5.071 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.281 4.386 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.243 7.744 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.762 8.465 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.238 6.878 3.644 1.00 0.00 H new ATOM 158 N ILE A 14 -6.503 7.138 1.835 1.00 0.00 N ATOM 159 CA ILE A 14 -7.891 6.956 2.226 1.00 0.00 C ATOM 160 C ILE A 14 -8.679 6.391 1.043 1.00 0.00 C ATOM 161 O ILE A 14 -9.366 5.379 1.177 1.00 0.00 O ATOM 162 CB ILE A 14 -8.467 8.261 2.781 1.00 0.00 C ATOM 163 CG1 ILE A 14 -8.033 8.478 4.232 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.988 8.299 2.625 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.856 9.452 4.313 1.00 0.00 C ATOM 0 H ILE A 14 -6.099 8.036 2.101 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.967 6.231 3.036 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.063 9.088 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.871 8.866 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.751 7.524 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.372 9.237 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.247 8.224 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.430 7.463 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.568 9.588 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.012 9.050 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.149 10.412 3.889 1.00 0.00 H new ATOM 177 N GLN A 15 -8.555 7.068 -0.089 1.00 0.00 N ATOM 178 CA GLN A 15 -9.247 6.646 -1.295 1.00 0.00 C ATOM 179 C GLN A 15 -9.024 5.152 -1.539 1.00 0.00 C ATOM 180 O GLN A 15 -9.973 4.369 -1.533 1.00 0.00 O ATOM 181 CB GLN A 15 -8.799 7.472 -2.502 1.00 0.00 C ATOM 182 CG GLN A 15 -9.047 8.963 -2.268 1.00 0.00 C ATOM 183 CD GLN A 15 -9.973 9.540 -3.342 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.187 9.523 -3.225 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.333 10.049 -4.391 1.00 0.00 N ATOM 0 H GLN A 15 -7.985 7.907 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.315 6.816 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.739 7.301 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.338 7.145 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.490 9.112 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.098 9.499 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.314 10.031 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.861 10.458 -5.162 1.00 0.00 H new ATOM 194 N LEU A 16 -7.763 4.801 -1.748 1.00 0.00 N ATOM 195 CA LEU A 16 -7.403 3.415 -1.994 1.00 0.00 C ATOM 196 C LEU A 16 -8.069 2.525 -0.942 1.00 0.00 C ATOM 197 O LEU A 16 -8.733 1.547 -1.281 1.00 0.00 O ATOM 198 CB LEU A 16 -5.883 3.259 -2.058 1.00 0.00 C ATOM 199 CG LEU A 16 -5.169 4.080 -3.134 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.675 4.204 -2.829 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.423 3.497 -4.526 1.00 0.00 C ATOM 0 H LEU A 16 -6.978 5.453 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.774 3.092 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.469 3.531 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.652 2.206 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.584 5.088 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.192 4.792 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.540 4.697 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.227 3.211 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.905 4.099 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.053 2.473 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.493 3.504 -4.734 1.00 0.00 H new ATOM 213 N VAL A 17 -7.867 2.896 0.314 1.00 0.00 N ATOM 214 CA VAL A 17 -8.439 2.144 1.418 1.00 0.00 C ATOM 215 C VAL A 17 -9.957 2.068 1.245 1.00 0.00 C ATOM 216 O VAL A 17 -10.568 1.041 1.536 1.00 0.00 O ATOM 217 CB VAL A 17 -8.020 2.770 2.750 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.743 2.102 3.921 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.502 2.704 2.933 1.00 0.00 C ATOM 0 H VAL A 17 -7.315 3.708 0.592 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.060 1.122 1.421 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.310 3.821 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.427 2.565 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.820 2.224 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.498 1.040 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.231 3.155 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.179 1.663 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.014 3.246 2.123 1.00 0.00 H new ATOM 229 N GLU A 18 -10.523 3.169 0.772 1.00 0.00 N ATOM 230 CA GLU A 18 -11.958 3.239 0.556 1.00 0.00 C ATOM 231 C GLU A 18 -12.413 2.105 -0.364 1.00 0.00 C ATOM 232 O GLU A 18 -13.487 1.537 -0.171 1.00 0.00 O ATOM 233 CB GLU A 18 -12.361 4.601 -0.012 1.00 0.00 C ATOM 234 CG GLU A 18 -13.385 5.291 0.891 1.00 0.00 C ATOM 235 CD GLU A 18 -14.588 4.382 1.150 1.00 0.00 C ATOM 236 OE1 GLU A 18 -15.178 3.922 0.148 1.00 0.00 O ATOM 237 OE2 GLU A 18 -14.891 4.168 2.344 1.00 0.00 O ATOM 0 H GLU A 18 -10.014 4.020 0.532 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.456 3.121 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.478 5.232 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.779 4.473 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.917 5.560 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.719 6.218 0.426 1.00 0.00 H new ATOM 244 N MET A 19 -11.573 1.809 -1.345 1.00 0.00 N ATOM 245 CA MET A 19 -11.876 0.752 -2.296 1.00 0.00 C ATOM 246 C MET A 19 -11.876 -0.617 -1.613 1.00 0.00 C ATOM 247 O MET A 19 -12.437 -1.577 -2.139 1.00 0.00 O ATOM 248 CB MET A 19 -10.836 0.763 -3.419 1.00 0.00 C ATOM 249 CG MET A 19 -10.841 2.102 -4.158 1.00 0.00 C ATOM 250 SD MET A 19 -10.943 1.827 -5.919 1.00 0.00 S ATOM 251 CE MET A 19 -9.243 1.410 -6.266 1.00 0.00 C ATOM 0 H MET A 19 -10.683 2.282 -1.502 1.00 0.00 H new ATOM 0 HA MET A 19 -12.870 0.932 -2.707 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.846 0.576 -3.004 1.00 0.00 H new ATOM 0 HB3 MET A 19 -11.045 -0.044 -4.121 1.00 0.00 H new ATOM 0 HG2 MET A 19 -11.685 2.707 -3.827 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.936 2.661 -3.921 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.769 2.232 -6.803 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.713 1.234 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.207 0.509 -6.878 1.00 0.00 H new ATOM 261 N GLY A 20 -11.241 -0.663 -0.451 1.00 0.00 N ATOM 262 CA GLY A 20 -11.160 -1.898 0.309 1.00 0.00 C ATOM 263 C GLY A 20 -9.746 -2.481 0.262 1.00 0.00 C ATOM 264 O GLY A 20 -9.559 -3.634 -0.123 1.00 0.00 O ATOM 0 H GLY A 20 -10.778 0.136 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.446 -1.711 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.869 -2.622 -0.092 1.00 0.00 H new ATOM 268 N PHE A 21 -8.788 -1.656 0.658 1.00 0.00 N ATOM 269 CA PHE A 21 -7.396 -2.075 0.665 1.00 0.00 C ATOM 270 C PHE A 21 -6.732 -1.747 2.004 1.00 0.00 C ATOM 271 O PHE A 21 -7.201 -0.877 2.737 1.00 0.00 O ATOM 272 CB PHE A 21 -6.689 -1.297 -0.446 1.00 0.00 C ATOM 273 CG PHE A 21 -7.019 -1.789 -1.857 1.00 0.00 C ATOM 274 CD1 PHE A 21 -7.002 -3.121 -2.134 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.330 -0.895 -2.834 1.00 0.00 C ATOM 276 CE1 PHE A 21 -7.308 -3.577 -3.444 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.636 -1.352 -4.143 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.619 -2.683 -4.420 1.00 0.00 C ATOM 0 H PHE A 21 -8.948 -0.700 0.976 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.331 -3.152 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.959 -0.244 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.612 -1.362 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.756 -3.831 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.344 0.162 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.294 -4.634 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.882 -0.642 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.853 -3.030 -5.416 1.00 0.00 H new ATOM 288 N PRO A 22 -5.622 -2.478 2.289 1.00 0.00 N ATOM 289 CA PRO A 22 -4.888 -2.273 3.527 1.00 0.00 C ATOM 290 C PRO A 22 -4.066 -0.984 3.469 1.00 0.00 C ATOM 291 O PRO A 22 -3.388 -0.720 2.478 1.00 0.00 O ATOM 292 CB PRO A 22 -4.031 -3.518 3.686 1.00 0.00 C ATOM 293 CG PRO A 22 -3.965 -4.159 2.309 1.00 0.00 C ATOM 294 CD PRO A 22 -5.038 -3.516 1.445 1.00 0.00 C ATOM 0 HA PRO A 22 -5.543 -2.144 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.034 -3.262 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.467 -4.202 4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.980 -4.013 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.126 -5.235 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.613 -3.093 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.788 -4.245 1.138 1.00 0.00 H new ATOM 302 N MET A 23 -4.153 -0.216 4.545 1.00 0.00 N ATOM 303 CA MET A 23 -3.426 1.039 4.630 1.00 0.00 C ATOM 304 C MET A 23 -1.962 0.852 4.227 1.00 0.00 C ATOM 305 O MET A 23 -1.510 1.424 3.236 1.00 0.00 O ATOM 306 CB MET A 23 -3.497 1.574 6.062 1.00 0.00 C ATOM 307 CG MET A 23 -4.949 1.718 6.522 1.00 0.00 C ATOM 308 SD MET A 23 -5.176 3.284 7.348 1.00 0.00 S ATOM 309 CE MET A 23 -6.500 3.965 6.364 1.00 0.00 C ATOM 0 H MET A 23 -4.716 -0.439 5.366 1.00 0.00 H new ATOM 0 HA MET A 23 -3.885 1.751 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.964 0.900 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.996 2.541 6.118 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.619 1.649 5.665 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.208 0.901 7.196 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.059 4.688 6.957 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.084 4.460 5.486 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.167 3.163 6.046 1.00 0.00 H new ATOM 319 N ASP A 24 -1.262 0.050 5.015 1.00 0.00 N ATOM 320 CA ASP A 24 0.142 -0.219 4.752 1.00 0.00 C ATOM 321 C ASP A 24 0.353 -0.375 3.245 1.00 0.00 C ATOM 322 O ASP A 24 1.118 0.376 2.640 1.00 0.00 O ATOM 323 CB ASP A 24 0.590 -1.515 5.429 1.00 0.00 C ATOM 324 CG ASP A 24 0.059 -1.721 6.849 1.00 0.00 C ATOM 325 OD1 ASP A 24 -1.181 -1.689 7.001 1.00 0.00 O ATOM 326 OD2 ASP A 24 0.905 -1.904 7.751 1.00 0.00 O ATOM 0 H ASP A 24 -1.640 -0.423 5.836 1.00 0.00 H new ATOM 0 HA ASP A 24 0.725 0.614 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.273 -2.357 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.679 -1.534 5.459 1.00 0.00 H new ATOM 331 N ALA A 25 -0.338 -1.355 2.681 1.00 0.00 N ATOM 332 CA ALA A 25 -0.235 -1.619 1.256 1.00 0.00 C ATOM 333 C ALA A 25 -0.412 -0.310 0.485 1.00 0.00 C ATOM 334 O ALA A 25 0.345 -0.024 -0.442 1.00 0.00 O ATOM 335 CB ALA A 25 -1.268 -2.675 0.857 1.00 0.00 C ATOM 0 H ALA A 25 -0.971 -1.976 3.185 1.00 0.00 H new ATOM 0 HA ALA A 25 0.750 -2.016 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.191 -2.873 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.081 -3.595 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.269 -2.310 1.087 1.00 0.00 H new ATOM 341 N CYS A 26 -1.416 0.451 0.896 1.00 0.00 N ATOM 342 CA CYS A 26 -1.701 1.724 0.255 1.00 0.00 C ATOM 343 C CYS A 26 -0.492 2.641 0.448 1.00 0.00 C ATOM 344 O CYS A 26 0.075 3.139 -0.523 1.00 0.00 O ATOM 345 CB CYS A 26 -2.987 2.353 0.795 1.00 0.00 C ATOM 346 SG CYS A 26 -4.441 1.420 0.193 1.00 0.00 S ATOM 0 H CYS A 26 -2.042 0.211 1.665 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.870 1.568 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.971 2.354 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.055 3.393 0.476 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.550 0.309 0.859 1.00 0.00 H new ATOM 352 N ARG A 27 -0.132 2.835 1.709 1.00 0.00 N ATOM 353 CA ARG A 27 0.999 3.684 2.041 1.00 0.00 C ATOM 354 C ARG A 27 2.244 3.233 1.275 1.00 0.00 C ATOM 355 O ARG A 27 3.070 4.057 0.886 1.00 0.00 O ATOM 356 CB ARG A 27 1.292 3.647 3.543 1.00 0.00 C ATOM 357 CG ARG A 27 0.458 4.690 4.290 1.00 0.00 C ATOM 358 CD ARG A 27 0.270 4.294 5.756 1.00 0.00 C ATOM 359 NE ARG A 27 1.116 5.145 6.622 1.00 0.00 N ATOM 360 CZ ARG A 27 0.836 6.419 6.928 1.00 0.00 C ATOM 361 NH1 ARG A 27 -0.270 6.998 6.440 1.00 0.00 N ATOM 362 NH2 ARG A 27 1.661 7.114 7.722 1.00 0.00 N ATOM 0 H ARG A 27 -0.604 2.419 2.512 1.00 0.00 H new ATOM 0 HA ARG A 27 0.743 4.705 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.075 2.654 3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.352 3.833 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.948 5.662 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.515 4.794 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.777 4.401 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.532 3.245 5.895 1.00 0.00 H new ATOM 0 HE ARG A 27 1.966 4.736 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.899 6.469 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.483 7.968 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.502 6.673 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.448 8.084 7.955 1.00 0.00 H new ATOM 376 N LYS A 28 2.340 1.926 1.081 1.00 0.00 N ATOM 377 CA LYS A 28 3.470 1.355 0.368 1.00 0.00 C ATOM 378 C LYS A 28 3.529 1.947 -1.042 1.00 0.00 C ATOM 379 O LYS A 28 4.541 2.527 -1.434 1.00 0.00 O ATOM 380 CB LYS A 28 3.402 -0.173 0.391 1.00 0.00 C ATOM 381 CG LYS A 28 3.983 -0.727 1.693 1.00 0.00 C ATOM 382 CD LYS A 28 4.357 -2.203 1.542 1.00 0.00 C ATOM 383 CE LYS A 28 3.208 -2.999 0.920 1.00 0.00 C ATOM 384 NZ LYS A 28 3.665 -4.353 0.534 1.00 0.00 N ATOM 0 H LYS A 28 1.653 1.245 1.406 1.00 0.00 H new ATOM 0 HA LYS A 28 4.405 1.616 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.367 -0.496 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.952 -0.578 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.865 -0.152 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.256 -0.613 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.247 -2.294 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.607 -2.620 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.384 -3.075 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.826 -2.474 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.873 -4.880 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.436 -4.275 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.008 -4.857 1.377 1.00 0.00 H new ATOM 398 N ALA A 29 2.432 1.780 -1.766 1.00 0.00 N ATOM 399 CA ALA A 29 2.346 2.290 -3.124 1.00 0.00 C ATOM 400 C ALA A 29 2.791 3.754 -3.143 1.00 0.00 C ATOM 401 O ALA A 29 3.810 4.088 -3.745 1.00 0.00 O ATOM 402 CB ALA A 29 0.921 2.107 -3.649 1.00 0.00 C ATOM 0 H ALA A 29 1.595 1.298 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 29 3.011 1.734 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.857 2.490 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.664 1.048 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.226 2.653 -3.012 1.00 0.00 H new ATOM 408 N VAL A 30 2.005 4.587 -2.477 1.00 0.00 N ATOM 409 CA VAL A 30 2.305 6.007 -2.411 1.00 0.00 C ATOM 410 C VAL A 30 3.803 6.196 -2.163 1.00 0.00 C ATOM 411 O VAL A 30 4.495 6.819 -2.967 1.00 0.00 O ATOM 412 CB VAL A 30 1.434 6.677 -1.346 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.680 8.186 -1.307 1.00 0.00 C ATOM 414 CG2 VAL A 30 -0.047 6.367 -1.575 1.00 0.00 C ATOM 0 H VAL A 30 1.161 4.306 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 30 2.068 6.492 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 30 1.715 6.267 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.049 8.638 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.727 8.378 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.440 8.619 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.644 6.855 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.348 6.735 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.205 5.289 -1.528 1.00 0.00 H new ATOM 424 N TYR A 31 4.260 5.646 -1.047 1.00 0.00 N ATOM 425 CA TYR A 31 5.663 5.747 -0.684 1.00 0.00 C ATOM 426 C TYR A 31 6.563 5.391 -1.869 1.00 0.00 C ATOM 427 O TYR A 31 7.281 6.246 -2.386 1.00 0.00 O ATOM 428 CB TYR A 31 5.883 4.725 0.433 1.00 0.00 C ATOM 429 CG TYR A 31 7.346 4.571 0.857 1.00 0.00 C ATOM 430 CD1 TYR A 31 8.060 5.672 1.284 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.950 3.331 0.811 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.436 5.527 1.682 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.326 3.186 1.210 1.00 0.00 C ATOM 434 CZ TYR A 31 10.002 4.291 1.625 1.00 0.00 C ATOM 435 OH TYR A 31 11.301 4.154 2.001 1.00 0.00 O ATOM 0 H TYR A 31 3.683 5.129 -0.383 1.00 0.00 H new ATOM 0 HA TYR A 31 5.908 6.763 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.293 5.018 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.507 3.756 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.587 6.642 1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.391 2.470 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.006 6.380 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.811 2.221 1.180 1.00 0.00 H new ATOM 0 HH TYR A 31 11.571 3.216 1.910 1.00 0.00 H new ATOM 445 N TYR A 32 6.496 4.128 -2.264 1.00 0.00 N ATOM 446 CA TYR A 32 7.296 3.649 -3.378 1.00 0.00 C ATOM 447 C TYR A 32 7.181 4.590 -4.580 1.00 0.00 C ATOM 448 O TYR A 32 8.176 4.881 -5.242 1.00 0.00 O ATOM 449 CB TYR A 32 6.717 2.285 -3.757 1.00 0.00 C ATOM 450 CG TYR A 32 7.090 1.160 -2.789 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.407 0.977 -2.418 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.110 0.329 -2.286 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.757 -0.081 -1.506 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.460 -0.729 -1.374 1.00 0.00 C ATOM 455 CZ TYR A 32 7.767 -0.882 -1.030 1.00 0.00 C ATOM 456 OH TYR A 32 8.098 -1.881 -0.169 1.00 0.00 O ATOM 0 H TYR A 32 5.900 3.422 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 32 8.348 3.594 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.631 2.364 -3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.062 2.020 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.174 1.627 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.080 0.472 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.783 -0.235 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.702 -1.386 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 32 7.290 -2.371 0.089 1.00 0.00 H new ATOM 466 N THR A 33 5.959 5.039 -4.825 1.00 0.00 N ATOM 467 CA THR A 33 5.702 5.940 -5.935 1.00 0.00 C ATOM 468 C THR A 33 5.862 7.395 -5.489 1.00 0.00 C ATOM 469 O THR A 33 5.348 8.306 -6.135 1.00 0.00 O ATOM 470 CB THR A 33 4.310 5.624 -6.487 1.00 0.00 C ATOM 471 OG1 THR A 33 3.420 6.122 -5.492 1.00 0.00 O ATOM 472 CG2 THR A 33 4.023 4.122 -6.526 1.00 0.00 C ATOM 0 H THR A 33 5.136 4.796 -4.274 1.00 0.00 H new ATOM 0 HA THR A 33 6.427 5.797 -6.737 1.00 0.00 H new ATOM 0 HB THR A 33 4.215 6.038 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.453 5.541 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.023 3.953 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.757 3.628 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.085 3.714 -5.517 1.00 0.00 H new ATOM 480 N GLY A 34 6.579 7.567 -4.388 1.00 0.00 N ATOM 481 CA GLY A 34 6.814 8.895 -3.848 1.00 0.00 C ATOM 482 C GLY A 34 5.576 9.780 -4.012 1.00 0.00 C ATOM 483 O GLY A 34 5.683 10.929 -4.440 1.00 0.00 O ATOM 0 H GLY A 34 7.005 6.808 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.076 8.821 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.663 9.353 -4.356 1.00 0.00 H new ATOM 487 N ASN A 35 4.432 9.213 -3.661 1.00 0.00 N ATOM 488 CA ASN A 35 3.176 9.936 -3.764 1.00 0.00 C ATOM 489 C ASN A 35 3.166 10.752 -5.058 1.00 0.00 C ATOM 490 O ASN A 35 3.517 11.931 -5.055 1.00 0.00 O ATOM 491 CB ASN A 35 3.000 10.905 -2.593 1.00 0.00 C ATOM 492 CG ASN A 35 1.730 11.741 -2.758 1.00 0.00 C ATOM 493 OD1 ASN A 35 0.762 11.331 -3.378 1.00 0.00 O ATOM 494 ND2 ASN A 35 1.787 12.933 -2.171 1.00 0.00 N ATOM 0 H ASN A 35 4.348 8.261 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 35 2.366 9.207 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.953 10.346 -1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.867 11.563 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.989 13.566 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.628 13.214 -1.668 1.00 0.00 H new ATOM 501 N SER A 36 2.761 10.093 -6.133 1.00 0.00 N ATOM 502 CA SER A 36 2.702 10.742 -7.432 1.00 0.00 C ATOM 503 C SER A 36 1.293 10.617 -8.016 1.00 0.00 C ATOM 504 O SER A 36 1.130 10.264 -9.183 1.00 0.00 O ATOM 505 CB SER A 36 3.730 10.145 -8.394 1.00 0.00 C ATOM 506 OG SER A 36 5.048 10.616 -8.127 1.00 0.00 O ATOM 0 H SER A 36 2.470 9.115 -6.131 1.00 0.00 H new ATOM 0 HA SER A 36 2.941 11.797 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.711 9.058 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.456 10.396 -9.419 1.00 0.00 H new ATOM 0 HG SER A 36 5.472 10.040 -7.457 1.00 0.00 H new ATOM 512 N GLY A 37 0.311 10.913 -7.177 1.00 0.00 N ATOM 513 CA GLY A 37 -1.079 10.838 -7.595 1.00 0.00 C ATOM 514 C GLY A 37 -1.699 9.496 -7.199 1.00 0.00 C ATOM 515 O GLY A 37 -0.991 8.580 -6.784 1.00 0.00 O ATOM 0 H GLY A 37 0.450 11.205 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.644 11.652 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.145 10.969 -8.675 1.00 0.00 H new ATOM 519 N ALA A 38 -3.014 9.424 -7.342 1.00 0.00 N ATOM 520 CA ALA A 38 -3.737 8.210 -7.004 1.00 0.00 C ATOM 521 C ALA A 38 -3.569 7.190 -8.133 1.00 0.00 C ATOM 522 O ALA A 38 -3.147 6.060 -7.895 1.00 0.00 O ATOM 523 CB ALA A 38 -5.205 8.547 -6.738 1.00 0.00 C ATOM 0 H ALA A 38 -3.597 10.186 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.334 7.765 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.747 7.636 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.272 9.252 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.643 8.994 -7.630 1.00 0.00 H new ATOM 529 N GLU A 39 -3.909 7.627 -9.337 1.00 0.00 N ATOM 530 CA GLU A 39 -3.801 6.767 -10.503 1.00 0.00 C ATOM 531 C GLU A 39 -2.450 6.048 -10.509 1.00 0.00 C ATOM 532 O GLU A 39 -2.397 4.819 -10.496 1.00 0.00 O ATOM 533 CB GLU A 39 -4.003 7.564 -11.793 1.00 0.00 C ATOM 534 CG GLU A 39 -5.315 7.176 -12.478 1.00 0.00 C ATOM 535 CD GLU A 39 -5.176 5.840 -13.210 1.00 0.00 C ATOM 536 OE1 GLU A 39 -4.582 4.921 -12.607 1.00 0.00 O ATOM 537 OE2 GLU A 39 -5.669 5.768 -14.357 1.00 0.00 O ATOM 0 H GLU A 39 -4.259 8.565 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.590 6.017 -10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.007 8.631 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.168 7.384 -12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.111 7.107 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.605 7.954 -13.185 1.00 0.00 H new ATOM 544 N ALA A 40 -1.391 6.844 -10.527 1.00 0.00 N ATOM 545 CA ALA A 40 -0.045 6.299 -10.535 1.00 0.00 C ATOM 546 C ALA A 40 0.088 5.264 -9.416 1.00 0.00 C ATOM 547 O ALA A 40 0.265 4.076 -9.681 1.00 0.00 O ATOM 548 CB ALA A 40 0.968 7.438 -10.399 1.00 0.00 C ATOM 0 H ALA A 40 -1.438 7.863 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 40 0.158 5.793 -11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.978 7.029 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.852 8.130 -11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.796 7.967 -9.462 1.00 0.00 H new ATOM 554 N ALA A 41 -0.002 5.753 -8.187 1.00 0.00 N ATOM 555 CA ALA A 41 0.106 4.885 -7.027 1.00 0.00 C ATOM 556 C ALA A 41 -0.713 3.615 -7.267 1.00 0.00 C ATOM 557 O ALA A 41 -0.183 2.507 -7.195 1.00 0.00 O ATOM 558 CB ALA A 41 -0.348 5.644 -5.778 1.00 0.00 C ATOM 0 H ALA A 41 -0.148 6.739 -7.970 1.00 0.00 H new ATOM 0 HA ALA A 41 1.141 4.584 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.267 4.993 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.284 6.521 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.384 5.959 -5.900 1.00 0.00 H new ATOM 564 N MET A 42 -1.992 3.818 -7.548 1.00 0.00 N ATOM 565 CA MET A 42 -2.889 2.703 -7.799 1.00 0.00 C ATOM 566 C MET A 42 -2.192 1.612 -8.615 1.00 0.00 C ATOM 567 O MET A 42 -2.110 0.464 -8.181 1.00 0.00 O ATOM 568 CB MET A 42 -4.121 3.199 -8.558 1.00 0.00 C ATOM 569 CG MET A 42 -5.386 3.041 -7.712 1.00 0.00 C ATOM 570 SD MET A 42 -6.814 2.883 -8.772 1.00 0.00 S ATOM 571 CE MET A 42 -7.543 4.497 -8.552 1.00 0.00 C ATOM 0 H MET A 42 -2.428 4.738 -7.607 1.00 0.00 H new ATOM 0 HA MET A 42 -3.188 2.279 -6.840 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.989 4.247 -8.829 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.229 2.641 -9.488 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.298 2.163 -7.073 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.504 3.903 -7.055 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.452 4.570 -9.149 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.787 4.646 -7.500 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.836 5.262 -8.873 1.00 0.00 H new ATOM 581 N ASN A 43 -1.708 2.009 -9.783 1.00 0.00 N ATOM 582 CA ASN A 43 -1.021 1.080 -10.663 1.00 0.00 C ATOM 583 C ASN A 43 -0.106 0.178 -9.832 1.00 0.00 C ATOM 584 O ASN A 43 -0.236 -1.045 -9.868 1.00 0.00 O ATOM 585 CB ASN A 43 -0.154 1.824 -11.681 1.00 0.00 C ATOM 586 CG ASN A 43 -0.376 1.278 -13.093 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.648 0.107 -13.298 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.243 2.190 -14.052 1.00 0.00 N ATOM 0 H ASN A 43 -1.778 2.962 -10.140 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.775 0.495 -11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.391 2.888 -11.657 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.897 1.725 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.370 1.925 -15.029 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.014 3.154 -13.811 1.00 0.00 H new ATOM 595 N TRP A 44 0.798 0.816 -9.104 1.00 0.00 N ATOM 596 CA TRP A 44 1.733 0.087 -8.265 1.00 0.00 C ATOM 597 C TRP A 44 0.945 -0.964 -7.481 1.00 0.00 C ATOM 598 O TRP A 44 1.368 -2.115 -7.380 1.00 0.00 O ATOM 599 CB TRP A 44 2.520 1.040 -7.364 1.00 0.00 C ATOM 600 CG TRP A 44 3.510 0.340 -6.431 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.841 0.253 -6.556 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.191 -0.372 -5.217 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.402 -0.461 -5.516 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.366 -0.853 -4.676 1.00 0.00 C ATOM 605 CE3 TRP A 44 1.951 -0.603 -4.596 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.417 -1.594 -3.489 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.019 -1.345 -3.411 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.193 -1.836 -2.853 1.00 0.00 C ATOM 0 H TRP A 44 0.903 1.830 -9.078 1.00 0.00 H new ATOM 0 HA TRP A 44 2.481 -0.421 -8.873 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.064 1.748 -7.989 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.818 1.619 -6.764 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.405 0.687 -7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.393 -0.663 -5.388 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.019 -0.237 -5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.350 -1.959 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.093 -1.550 -2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.162 -2.401 -1.933 1.00 0.00 H new ATOM 619 N VAL A 45 -0.186 -0.531 -6.945 1.00 0.00 N ATOM 620 CA VAL A 45 -1.037 -1.420 -6.172 1.00 0.00 C ATOM 621 C VAL A 45 -1.634 -2.481 -7.099 1.00 0.00 C ATOM 622 O VAL A 45 -1.462 -3.677 -6.872 1.00 0.00 O ATOM 623 CB VAL A 45 -2.100 -0.611 -5.427 1.00 0.00 C ATOM 624 CG1 VAL A 45 -2.984 -1.522 -4.572 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.458 0.486 -4.576 1.00 0.00 C ATOM 0 H VAL A 45 -0.533 0.424 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.454 -1.942 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.736 -0.129 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.731 -0.921 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.484 -2.249 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.368 -2.045 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.236 1.046 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.787 0.034 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.892 1.161 -5.219 1.00 0.00 H new ATOM 635 N MET A 46 -2.323 -2.004 -8.125 1.00 0.00 N ATOM 636 CA MET A 46 -2.947 -2.896 -9.088 1.00 0.00 C ATOM 637 C MET A 46 -2.057 -4.109 -9.367 1.00 0.00 C ATOM 638 O MET A 46 -2.556 -5.195 -9.659 1.00 0.00 O ATOM 639 CB MET A 46 -3.203 -2.140 -10.393 1.00 0.00 C ATOM 640 CG MET A 46 -4.207 -1.005 -10.181 1.00 0.00 C ATOM 641 SD MET A 46 -5.739 -1.657 -9.537 1.00 0.00 S ATOM 642 CE MET A 46 -6.068 -0.461 -8.253 1.00 0.00 C ATOM 0 H MET A 46 -2.463 -1.011 -8.311 1.00 0.00 H new ATOM 0 HA MET A 46 -3.890 -3.248 -8.671 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.265 -1.735 -10.773 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.581 -2.829 -11.148 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.796 -0.269 -9.489 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.390 -0.489 -11.124 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.022 -0.950 -7.280 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.322 0.333 -8.295 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.061 -0.035 -8.399 1.00 0.00 H new ATOM 652 N SER A 47 -0.756 -3.884 -9.266 1.00 0.00 N ATOM 653 CA SER A 47 0.208 -4.946 -9.504 1.00 0.00 C ATOM 654 C SER A 47 0.549 -5.647 -8.187 1.00 0.00 C ATOM 655 O SER A 47 0.364 -6.857 -8.058 1.00 0.00 O ATOM 656 CB SER A 47 1.478 -4.400 -10.159 1.00 0.00 C ATOM 657 OG SER A 47 1.383 -4.389 -11.580 1.00 0.00 O ATOM 0 H SER A 47 -0.346 -2.982 -9.023 1.00 0.00 H new ATOM 0 HA SER A 47 -0.239 -5.668 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.664 -3.388 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.331 -5.007 -9.857 1.00 0.00 H new ATOM 0 HG SER A 47 2.213 -4.032 -11.961 1.00 0.00 H new ATOM 663 N HIS A 48 1.041 -4.859 -7.243 1.00 0.00 N ATOM 664 CA HIS A 48 1.409 -5.389 -5.942 1.00 0.00 C ATOM 665 C HIS A 48 0.266 -6.247 -5.395 1.00 0.00 C ATOM 666 O HIS A 48 0.503 -7.293 -4.793 1.00 0.00 O ATOM 667 CB HIS A 48 1.812 -4.261 -4.990 1.00 0.00 C ATOM 668 CG HIS A 48 3.298 -3.996 -4.946 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.107 -4.433 -3.912 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.112 -3.336 -5.819 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.350 -4.046 -4.161 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.350 -3.366 -5.344 1.00 0.00 N ATOM 0 H HIS A 48 1.193 -3.857 -7.354 1.00 0.00 H new ATOM 0 HA HIS A 48 2.284 -6.032 -6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.299 -3.347 -5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.467 -4.507 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.801 -2.868 -6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.211 -4.236 -3.537 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.167 -2.949 -5.790 1.00 0.00 H new ATOM 680 N MET A 49 -0.949 -5.772 -5.625 1.00 0.00 N ATOM 681 CA MET A 49 -2.130 -6.482 -5.163 1.00 0.00 C ATOM 682 C MET A 49 -2.175 -7.901 -5.734 1.00 0.00 C ATOM 683 O MET A 49 -2.923 -8.747 -5.247 1.00 0.00 O ATOM 684 CB MET A 49 -3.385 -5.719 -5.590 1.00 0.00 C ATOM 685 CG MET A 49 -3.601 -5.822 -7.101 1.00 0.00 C ATOM 686 SD MET A 49 -5.251 -6.409 -7.444 1.00 0.00 S ATOM 687 CE MET A 49 -5.063 -8.132 -7.013 1.00 0.00 C ATOM 0 H MET A 49 -1.141 -4.904 -6.125 1.00 0.00 H new ATOM 0 HA MET A 49 -2.088 -6.549 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.254 -6.119 -5.067 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.294 -4.672 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.449 -4.848 -7.565 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.867 -6.500 -7.536 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.903 -8.701 -7.411 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.134 -8.514 -7.436 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.037 -8.235 -5.928 1.00 0.00 H new ATOM 697 N ASP A 50 -1.364 -8.117 -6.760 1.00 0.00 N ATOM 698 CA ASP A 50 -1.303 -9.419 -7.403 1.00 0.00 C ATOM 699 C ASP A 50 -0.223 -10.266 -6.726 1.00 0.00 C ATOM 700 O ASP A 50 0.544 -10.953 -7.399 1.00 0.00 O ATOM 701 CB ASP A 50 -0.940 -9.285 -8.883 1.00 0.00 C ATOM 702 CG ASP A 50 -1.480 -10.397 -9.785 1.00 0.00 C ATOM 703 OD1 ASP A 50 -2.579 -10.902 -9.466 1.00 0.00 O ATOM 704 OD2 ASP A 50 -0.783 -10.717 -10.771 1.00 0.00 O ATOM 0 H ASP A 50 -0.744 -7.413 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.283 -9.887 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.314 -8.328 -9.248 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.146 -9.259 -8.974 1.00 0.00 H new ATOM 709 N ASP A 51 -0.199 -10.190 -5.404 1.00 0.00 N ATOM 710 CA ASP A 51 0.773 -10.942 -4.629 1.00 0.00 C ATOM 711 C ASP A 51 0.289 -11.053 -3.182 1.00 0.00 C ATOM 712 O ASP A 51 -0.448 -10.193 -2.702 1.00 0.00 O ATOM 713 CB ASP A 51 2.132 -10.239 -4.620 1.00 0.00 C ATOM 714 CG ASP A 51 3.326 -11.136 -4.956 1.00 0.00 C ATOM 715 OD1 ASP A 51 3.197 -11.911 -5.928 1.00 0.00 O ATOM 716 OD2 ASP A 51 4.340 -11.025 -4.234 1.00 0.00 O ATOM 0 H ASP A 51 -0.837 -9.619 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 51 0.879 -11.927 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.103 -9.416 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.291 -9.801 -3.635 1.00 0.00 H new ATOM 721 N PRO A 52 0.735 -12.148 -2.509 1.00 0.00 N ATOM 722 CA PRO A 52 0.356 -12.383 -1.126 1.00 0.00 C ATOM 723 C PRO A 52 1.117 -11.450 -0.182 1.00 0.00 C ATOM 724 O PRO A 52 0.729 -11.277 0.972 1.00 0.00 O ATOM 725 CB PRO A 52 0.657 -13.852 -0.880 1.00 0.00 C ATOM 726 CG PRO A 52 1.621 -14.270 -1.979 1.00 0.00 C ATOM 727 CD PRO A 52 1.610 -13.187 -3.045 1.00 0.00 C ATOM 0 HA PRO A 52 -0.696 -12.168 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.100 -14.000 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.255 -14.448 -0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.626 -14.399 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.322 -15.228 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.613 -12.803 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.235 -13.570 -3.994 1.00 0.00 H new ATOM 735 N ASP A 53 2.188 -10.873 -0.709 1.00 0.00 N ATOM 736 CA ASP A 53 3.007 -9.963 0.073 1.00 0.00 C ATOM 737 C ASP A 53 2.519 -8.529 -0.145 1.00 0.00 C ATOM 738 O ASP A 53 3.296 -7.582 -0.042 1.00 0.00 O ATOM 739 CB ASP A 53 4.473 -10.033 -0.359 1.00 0.00 C ATOM 740 CG ASP A 53 4.798 -9.307 -1.666 1.00 0.00 C ATOM 741 OD1 ASP A 53 3.831 -8.907 -2.349 1.00 0.00 O ATOM 742 OD2 ASP A 53 6.007 -9.169 -1.954 1.00 0.00 O ATOM 0 H ASP A 53 2.507 -11.018 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 53 2.925 -10.251 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.090 -9.613 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.756 -11.081 -0.463 1.00 0.00 H new ATOM 747 N PHE A 54 1.233 -8.415 -0.443 1.00 0.00 N ATOM 748 CA PHE A 54 0.631 -7.114 -0.676 1.00 0.00 C ATOM 749 C PHE A 54 0.189 -6.470 0.639 1.00 0.00 C ATOM 750 O PHE A 54 0.508 -5.313 0.907 1.00 0.00 O ATOM 751 CB PHE A 54 -0.599 -7.341 -1.558 1.00 0.00 C ATOM 752 CG PHE A 54 -1.430 -6.080 -1.803 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.833 -4.952 -2.272 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.767 -6.087 -1.552 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.605 -3.782 -2.499 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.539 -4.917 -1.779 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.941 -3.789 -2.248 1.00 0.00 C ATOM 0 H PHE A 54 0.591 -9.203 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 54 1.354 -6.450 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.276 -7.743 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.232 -8.097 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.228 -4.946 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.242 -6.983 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.130 -2.886 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.600 -4.923 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.528 -2.899 -2.421 1.00 0.00 H new ATOM 767 N ALA A 55 -0.539 -7.248 1.427 1.00 0.00 N ATOM 768 CA ALA A 55 -1.028 -6.769 2.708 1.00 0.00 C ATOM 769 C ALA A 55 0.145 -6.640 3.681 1.00 0.00 C ATOM 770 O ALA A 55 0.196 -5.705 4.478 1.00 0.00 O ATOM 771 CB ALA A 55 -2.115 -7.713 3.226 1.00 0.00 C ATOM 0 H ALA A 55 -0.802 -8.208 1.202 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.478 -5.782 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.482 -7.353 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.939 -7.746 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.700 -8.714 3.347 1.00 0.00 H new ATOM 777 N ASN A 56 1.060 -7.594 3.585 1.00 0.00 N ATOM 778 CA ASN A 56 2.230 -7.599 4.446 1.00 0.00 C ATOM 779 C ASN A 56 2.759 -6.171 4.589 1.00 0.00 C ATOM 780 O ASN A 56 2.500 -5.321 3.738 1.00 0.00 O ATOM 781 CB ASN A 56 3.347 -8.461 3.854 1.00 0.00 C ATOM 782 CG ASN A 56 2.823 -9.845 3.464 1.00 0.00 C ATOM 783 OD1 ASN A 56 1.630 -10.095 3.418 1.00 0.00 O ATOM 784 ND2 ASN A 56 3.780 -10.726 3.187 1.00 0.00 N ATOM 0 H ASN A 56 1.014 -8.369 2.924 1.00 0.00 H new ATOM 0 HA ASN A 56 1.935 -8.007 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.767 -7.967 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.154 -8.565 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.534 -11.678 2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.760 -10.450 3.245 1.00 0.00 H new ATOM 791 N PRO A 57 3.512 -5.945 5.699 1.00 0.00 N ATOM 792 CA PRO A 57 4.080 -4.634 5.964 1.00 0.00 C ATOM 793 C PRO A 57 5.280 -4.363 5.054 1.00 0.00 C ATOM 794 O PRO A 57 5.524 -5.106 4.104 1.00 0.00 O ATOM 795 CB PRO A 57 4.446 -4.655 7.439 1.00 0.00 C ATOM 796 CG PRO A 57 4.500 -6.121 7.834 1.00 0.00 C ATOM 797 CD PRO A 57 3.839 -6.927 6.728 1.00 0.00 C ATOM 0 HA PRO A 57 3.384 -3.823 5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.406 -4.169 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.706 -4.118 8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.533 -6.441 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.986 -6.280 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.509 -7.696 6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.945 -7.435 7.089 1.00 0.00 H new ATOM 805 N LEU A 58 5.997 -3.296 5.375 1.00 0.00 N ATOM 806 CA LEU A 58 7.165 -2.917 4.599 1.00 0.00 C ATOM 807 C LEU A 58 8.360 -3.766 5.037 1.00 0.00 C ATOM 808 O LEU A 58 8.394 -4.263 6.161 1.00 0.00 O ATOM 809 CB LEU A 58 7.410 -1.410 4.700 1.00 0.00 C ATOM 810 CG LEU A 58 6.841 -0.561 3.561 1.00 0.00 C ATOM 811 CD1 LEU A 58 5.847 0.473 4.093 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.963 0.088 2.748 1.00 0.00 C ATOM 0 H LEU A 58 5.791 -2.682 6.163 1.00 0.00 H new ATOM 0 HA LEU A 58 7.001 -3.119 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.985 -1.055 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.485 -1.239 4.752 1.00 0.00 H new ATOM 0 HG LEU A 58 6.293 -1.218 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.457 1.063 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.024 -0.037 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.350 1.131 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.532 0.686 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.559 0.729 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.599 -0.688 2.321 1.00 0.00 H new ATOM 824 N ILE A 59 9.313 -3.904 4.127 1.00 0.00 N ATOM 825 CA ILE A 59 10.507 -4.683 4.405 1.00 0.00 C ATOM 826 C ILE A 59 11.052 -4.298 5.782 1.00 0.00 C ATOM 827 O ILE A 59 11.475 -3.162 5.991 1.00 0.00 O ATOM 828 CB ILE A 59 11.526 -4.525 3.275 1.00 0.00 C ATOM 829 CG1 ILE A 59 10.936 -4.981 1.938 1.00 0.00 C ATOM 830 CG2 ILE A 59 12.829 -5.255 3.605 1.00 0.00 C ATOM 831 CD1 ILE A 59 10.786 -3.803 0.975 1.00 0.00 C ATOM 0 H ILE A 59 9.282 -3.489 3.196 1.00 0.00 H new ATOM 0 HA ILE A 59 10.268 -5.746 4.441 1.00 0.00 H new ATOM 0 HB ILE A 59 11.767 -3.466 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.579 -5.740 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.964 -5.445 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.536 -5.126 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.255 -4.843 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.626 -6.317 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.365 -4.154 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.123 -3.057 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.763 -3.356 0.791 1.00 0.00 H new ATOM 843 N LEU A 60 11.024 -5.267 6.686 1.00 0.00 N ATOM 844 CA LEU A 60 11.510 -5.044 8.037 1.00 0.00 C ATOM 845 C LEU A 60 12.861 -4.327 7.977 1.00 0.00 C ATOM 846 O LEU A 60 13.533 -4.348 6.947 1.00 0.00 O ATOM 847 CB LEU A 60 11.546 -6.359 8.818 1.00 0.00 C ATOM 848 CG LEU A 60 10.203 -6.856 9.356 1.00 0.00 C ATOM 849 CD1 LEU A 60 9.962 -6.351 10.780 1.00 0.00 C ATOM 850 CD2 LEU A 60 9.060 -6.478 8.412 1.00 0.00 C ATOM 0 H LEU A 60 10.672 -6.208 6.509 1.00 0.00 H new ATOM 0 HA LEU A 60 10.828 -4.394 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.964 -7.131 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.230 -6.241 9.658 1.00 0.00 H new ATOM 0 HG LEU A 60 10.235 -7.945 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.001 -6.719 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.756 -6.713 11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.958 -5.261 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.117 -6.843 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.016 -5.394 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.232 -6.927 7.434 1.00 0.00 H new ATOM 862 N PRO A 61 13.227 -3.694 9.123 1.00 0.00 N ATOM 863 CA PRO A 61 14.485 -2.972 9.210 1.00 0.00 C ATOM 864 C PRO A 61 15.665 -3.940 9.327 1.00 0.00 C ATOM 865 O PRO A 61 15.521 -5.039 9.859 1.00 0.00 O ATOM 866 CB PRO A 61 14.337 -2.068 10.423 1.00 0.00 C ATOM 867 CG PRO A 61 13.193 -2.648 11.238 1.00 0.00 C ATOM 868 CD PRO A 61 12.456 -3.648 10.362 1.00 0.00 C ATOM 0 HA PRO A 61 14.696 -2.385 8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.258 -2.042 11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.122 -1.043 10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.573 -3.135 12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.518 -1.857 11.565 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.408 -4.629 10.835 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.429 -3.332 10.178 1.00 0.00 H new ATOM 876 N GLY A 62 16.806 -3.495 8.821 1.00 0.00 N ATOM 877 CA GLY A 62 18.010 -4.307 8.862 1.00 0.00 C ATOM 878 C GLY A 62 18.458 -4.552 10.304 1.00 0.00 C ATOM 879 O GLY A 62 17.854 -5.352 11.018 1.00 0.00 O ATOM 0 H GLY A 62 16.922 -2.582 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.826 -5.261 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.807 -3.810 8.309 1.00 0.00 H new ATOM 883 N SER A 63 19.512 -3.849 10.690 1.00 0.00 N ATOM 884 CA SER A 63 20.048 -3.979 12.034 1.00 0.00 C ATOM 885 C SER A 63 19.035 -3.456 13.054 1.00 0.00 C ATOM 886 O SER A 63 18.671 -2.281 13.026 1.00 0.00 O ATOM 887 CB SER A 63 21.376 -3.232 12.173 1.00 0.00 C ATOM 888 OG SER A 63 22.484 -4.124 12.256 1.00 0.00 O ATOM 0 H SER A 63 20.010 -3.187 10.095 1.00 0.00 H new ATOM 0 HA SER A 63 20.235 -5.035 12.226 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.509 -2.567 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.348 -2.605 13.064 1.00 0.00 H new ATOM 0 HG SER A 63 23.313 -3.609 12.342 1.00 0.00 H new ATOM 894 N SER A 64 18.608 -4.353 13.931 1.00 0.00 N ATOM 895 CA SER A 64 17.645 -3.996 14.958 1.00 0.00 C ATOM 896 C SER A 64 17.700 -5.009 16.103 1.00 0.00 C ATOM 897 O SER A 64 18.195 -6.122 15.928 1.00 0.00 O ATOM 898 CB SER A 64 16.229 -3.922 14.383 1.00 0.00 C ATOM 899 OG SER A 64 15.311 -3.331 15.299 1.00 0.00 O ATOM 0 H SER A 64 18.912 -5.327 13.951 1.00 0.00 H new ATOM 0 HA SER A 64 17.905 -3.009 15.342 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.243 -3.343 13.459 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.889 -4.925 14.126 1.00 0.00 H new ATOM 0 HG SER A 64 14.419 -3.300 14.894 1.00 0.00 H new ATOM 905 N GLY A 65 17.185 -4.588 17.249 1.00 0.00 N ATOM 906 CA GLY A 65 17.170 -5.446 18.422 1.00 0.00 C ATOM 907 C GLY A 65 16.892 -6.899 18.035 1.00 0.00 C ATOM 908 O GLY A 65 15.740 -7.284 17.839 1.00 0.00 O ATOM 0 H GLY A 65 16.775 -3.665 17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.128 -5.380 18.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.408 -5.100 19.120 1.00 0.00 H new ATOM 912 N PRO A 66 17.995 -7.689 17.935 1.00 0.00 N ATOM 913 CA PRO A 66 17.881 -9.092 17.576 1.00 0.00 C ATOM 914 C PRO A 66 17.353 -9.918 18.751 1.00 0.00 C ATOM 915 O PRO A 66 17.811 -9.758 19.881 1.00 0.00 O ATOM 916 CB PRO A 66 19.278 -9.502 17.141 1.00 0.00 C ATOM 917 CG PRO A 66 20.217 -8.451 17.712 1.00 0.00 C ATOM 918 CD PRO A 66 19.375 -7.268 18.161 1.00 0.00 C ATOM 0 HA PRO A 66 17.163 -9.264 16.774 1.00 0.00 H new ATOM 0 HB2 PRO A 66 19.528 -10.494 17.516 1.00 0.00 H new ATOM 0 HB3 PRO A 66 19.352 -9.543 16.054 1.00 0.00 H new ATOM 0 HG2 PRO A 66 20.781 -8.858 18.551 1.00 0.00 H new ATOM 0 HG3 PRO A 66 20.943 -8.140 16.961 1.00 0.00 H new ATOM 0 HD2 PRO A 66 19.550 -7.033 19.211 1.00 0.00 H new ATOM 0 HD3 PRO A 66 19.614 -6.372 17.589 1.00 0.00 H new ATOM 926 N GLY A 67 16.398 -10.783 18.443 1.00 0.00 N ATOM 927 CA GLY A 67 15.804 -11.635 19.460 1.00 0.00 C ATOM 928 C GLY A 67 14.328 -11.902 19.156 1.00 0.00 C ATOM 929 O GLY A 67 13.455 -11.153 19.592 1.00 0.00 O ATOM 0 H GLY A 67 16.021 -10.912 17.504 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.346 -12.580 19.510 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.898 -11.161 20.437 1.00 0.00 H new ATOM 933 N SER A 68 14.095 -12.973 18.411 1.00 0.00 N ATOM 934 CA SER A 68 12.740 -13.349 18.045 1.00 0.00 C ATOM 935 C SER A 68 11.946 -13.729 19.296 1.00 0.00 C ATOM 936 O SER A 68 12.411 -14.522 20.113 1.00 0.00 O ATOM 937 CB SER A 68 12.741 -14.506 17.044 1.00 0.00 C ATOM 938 OG SER A 68 11.718 -14.364 16.063 1.00 0.00 O ATOM 0 H SER A 68 14.822 -13.592 18.051 1.00 0.00 H new ATOM 0 HA SER A 68 12.264 -12.492 17.568 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.712 -14.558 16.551 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.604 -15.447 17.577 1.00 0.00 H new ATOM 0 HG SER A 68 11.753 -15.121 15.442 1.00 0.00 H new ATOM 944 N SER A 69 10.761 -13.146 19.406 1.00 0.00 N ATOM 945 CA SER A 69 9.898 -13.414 20.544 1.00 0.00 C ATOM 946 C SER A 69 8.482 -13.734 20.062 1.00 0.00 C ATOM 947 O SER A 69 7.738 -12.837 19.670 1.00 0.00 O ATOM 948 CB SER A 69 9.875 -12.228 21.510 1.00 0.00 C ATOM 949 OG SER A 69 11.084 -12.124 22.257 1.00 0.00 O ATOM 0 H SER A 69 10.378 -12.489 18.726 1.00 0.00 H new ATOM 0 HA SER A 69 10.296 -14.276 21.080 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.715 -11.307 20.949 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.034 -12.335 22.195 1.00 0.00 H new ATOM 0 HG SER A 69 11.030 -11.354 22.861 1.00 0.00 H new ATOM 955 N GLY A 70 8.151 -15.017 20.108 1.00 0.00 N ATOM 956 CA GLY A 70 6.837 -15.466 19.681 1.00 0.00 C ATOM 957 C GLY A 70 6.807 -16.986 19.508 1.00 0.00 C ATOM 958 O GLY A 70 6.873 -17.488 18.387 1.00 0.00 O ATOM 0 H GLY A 70 8.770 -15.759 20.434 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.090 -15.165 20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.572 -14.984 18.740 1.00 0.00 H new ATOM 962 N PRO A 71 6.705 -17.694 20.664 1.00 0.00 N ATOM 963 CA PRO A 71 6.665 -19.147 20.651 1.00 0.00 C ATOM 964 C PRO A 71 5.301 -19.654 20.179 1.00 0.00 C ATOM 965 O PRO A 71 4.413 -19.904 20.992 1.00 0.00 O ATOM 966 CB PRO A 71 6.993 -19.562 22.076 1.00 0.00 C ATOM 967 CG PRO A 71 6.747 -18.333 22.936 1.00 0.00 C ATOM 968 CD PRO A 71 6.624 -17.134 22.010 1.00 0.00 C ATOM 0 HA PRO A 71 7.378 -19.581 19.950 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.365 -20.394 22.395 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.028 -19.895 22.157 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.838 -18.455 23.525 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.567 -18.189 23.640 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.681 -16.610 22.164 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.422 -16.413 22.188 1.00 0.00 H new ATOM 976 N SER A 72 5.178 -19.791 18.867 1.00 0.00 N ATOM 977 CA SER A 72 3.937 -20.264 18.278 1.00 0.00 C ATOM 978 C SER A 72 3.545 -21.609 18.892 1.00 0.00 C ATOM 979 O SER A 72 4.146 -22.636 18.581 1.00 0.00 O ATOM 980 CB SER A 72 4.062 -20.390 16.758 1.00 0.00 C ATOM 981 OG SER A 72 2.790 -20.472 16.122 1.00 0.00 O ATOM 0 H SER A 72 5.917 -19.583 18.196 1.00 0.00 H new ATOM 0 HA SER A 72 3.157 -19.534 18.492 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.608 -19.531 16.367 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.647 -21.277 16.515 1.00 0.00 H new ATOM 0 HG SER A 72 2.913 -20.550 15.153 1.00 0.00 H new ATOM 987 N SER A 73 2.539 -21.560 19.753 1.00 0.00 N ATOM 988 CA SER A 73 2.060 -22.762 20.413 1.00 0.00 C ATOM 989 C SER A 73 3.174 -23.368 21.270 1.00 0.00 C ATOM 990 O SER A 73 4.354 -23.204 20.966 1.00 0.00 O ATOM 991 CB SER A 73 1.557 -23.787 19.395 1.00 0.00 C ATOM 992 OG SER A 73 0.661 -23.206 18.451 1.00 0.00 O ATOM 0 H SER A 73 2.043 -20.706 20.009 1.00 0.00 H new ATOM 0 HA SER A 73 1.223 -22.488 21.056 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.406 -24.222 18.868 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.055 -24.601 19.918 1.00 0.00 H new ATOM 0 HG SER A 73 0.364 -23.892 17.817 1.00 0.00 H new ATOM 998 N GLY A 74 2.758 -24.056 22.323 1.00 0.00 N ATOM 999 CA GLY A 74 3.706 -24.687 23.226 1.00 0.00 C ATOM 1000 C GLY A 74 3.365 -24.376 24.685 1.00 0.00 C ATOM 1001 O GLY A 74 2.846 -23.303 24.989 1.00 0.00 O ATOM 0 H GLY A 74 1.778 -24.190 22.571 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.700 -25.766 23.069 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.714 -24.338 23.002 1.00 0.00 H new TER 1005 GLY A 74