USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 89 GLN : amide:sc= 0.831 K(o=0.82,f=-5.6!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0134 K(o=0.82,f=-2.8!) USER MOD Set 2.1: A 57 GLN : amide:sc= 1.07 K(o=1.8,f=-1.2) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.685 K(o=1.8,f=-1.3!) USER MOD Set 3.1: A 28 SER OG : rot -33:sc= 1.22 USER MOD Set 3.2: A 47 TYR OH : rot -166:sc= 1.36 USER MOD Set 3.3: A 51 GLN : amide:sc= 0.359 K(o=2.9,f=-1.7!) USER MOD Single : A 17 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.23) USER MOD Single : A 19 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0058) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.25 (180deg=0.964) USER MOD Single : A 25 GLN : amide:sc= 1.04 K(o=1,f=-0.82) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc=-0.00292 X(o=-0.0029,f=-0.31) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 41 SER OG : rot -134:sc= 1.41 USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.442) USER MOD Single : A 44 MET CE :methyl 173:sc= -0.158 (180deg=-0.283) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -65:sc= -0.968 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 55 MET CE :methyl 168:sc= 0 (180deg=-0.15) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0174 F(o=-0.92,f=-0.017) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0926 K(o=-0.093,f=-0.67) USER MOD Single : A 78 MET CE :methyl -116:sc= -0.364 (180deg=-1.79) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.167 USER MOD Single : B 357 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.13) USER MOD Single : B 358 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 -6.626 20.268 5.914 1.00 10.00 N ATOM 14 CA HIS A 17 -6.397 18.873 5.556 1.00 10.00 C ATOM 15 C HIS A 17 -7.275 18.474 4.377 1.00 10.00 C ATOM 16 O HIS A 17 -8.193 19.205 4.001 1.00 10.00 O ATOM 17 CB HIS A 17 -6.686 17.953 6.747 1.00 10.00 C ATOM 18 CG HIS A 17 -5.601 17.942 7.780 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.794 18.478 9.033 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.341 17.448 7.700 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.658 18.297 9.682 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.749 17.678 8.915 1.00 10.00 N ATOM 0 HA HIS A 17 -5.350 18.766 5.274 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.619 18.265 7.217 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.837 16.937 6.381 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.891 16.966 6.845 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.483 18.608 10.701 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.798 17.426 9.184 1.00 10.00 H new ATOM 30 N ILE A 18 -6.982 17.322 3.798 1.00 10.00 N ATOM 31 CA ILE A 18 -7.744 16.808 2.672 1.00 10.00 C ATOM 32 C ILE A 18 -8.102 15.343 2.926 1.00 10.00 C ATOM 33 O ILE A 18 -7.251 14.547 3.326 1.00 10.00 O ATOM 34 CB ILE A 18 -6.959 16.970 1.344 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.798 16.511 0.149 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.639 16.210 1.387 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.144 16.793 -1.189 1.00 10.00 C ATOM 0 H ILE A 18 -6.214 16.719 4.093 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.663 17.385 2.574 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.738 18.030 1.222 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.985 15.441 0.235 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.768 17.008 0.183 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.112 16.343 0.442 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -5.025 16.593 2.202 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.835 15.150 1.547 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.792 16.442 -1.992 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.982 17.866 -1.296 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.187 16.274 -1.243 1.00 10.00 H new ATOM 49 N ASN A 19 -9.367 15.001 2.728 1.00 10.00 N ATOM 50 CA ASN A 19 -9.830 13.637 2.955 1.00 10.00 C ATOM 51 C ASN A 19 -9.642 12.782 1.714 1.00 10.00 C ATOM 52 O ASN A 19 -10.398 12.896 0.748 1.00 10.00 O ATOM 53 CB ASN A 19 -11.305 13.617 3.370 1.00 10.00 C ATOM 54 CG ASN A 19 -11.556 14.314 4.691 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.510 13.697 5.758 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.835 15.604 4.630 1.00 10.00 N ATOM 0 H ASN A 19 -10.091 15.646 2.411 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.229 13.223 3.764 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.902 14.095 2.594 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.643 12.583 3.441 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.022 16.126 5.486 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.863 16.078 3.727 1.00 10.00 H new ATOM 63 N LEU A 20 -8.623 11.943 1.739 1.00 10.00 N ATOM 64 CA LEU A 20 -8.346 11.050 0.625 1.00 10.00 C ATOM 65 C LEU A 20 -8.820 9.644 0.971 1.00 10.00 C ATOM 66 O LEU A 20 -8.424 9.079 1.992 1.00 10.00 O ATOM 67 CB LEU A 20 -6.849 11.044 0.290 1.00 10.00 C ATOM 68 CG LEU A 20 -6.278 12.388 -0.174 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.812 12.240 -0.553 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.080 12.936 -1.346 1.00 10.00 C ATOM 0 H LEU A 20 -7.971 11.860 2.519 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.884 11.405 -0.254 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.297 10.718 1.172 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.671 10.303 -0.489 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.352 13.096 0.651 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.422 13.204 -0.880 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.246 11.894 0.312 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.717 11.516 -1.362 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.659 13.891 -1.661 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.040 12.231 -2.176 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.117 13.080 -1.042 1.00 10.00 H new ATOM 82 N LYS A 21 -9.675 9.085 0.129 1.00 10.00 N ATOM 83 CA LYS A 21 -10.205 7.754 0.362 1.00 10.00 C ATOM 84 C LYS A 21 -9.455 6.709 -0.449 1.00 10.00 C ATOM 85 O LYS A 21 -9.640 6.587 -1.660 1.00 10.00 O ATOM 86 CB LYS A 21 -11.694 7.706 0.024 1.00 10.00 C ATOM 87 CG LYS A 21 -12.585 8.239 1.133 1.00 10.00 C ATOM 88 CD LYS A 21 -14.034 8.307 0.692 1.00 10.00 C ATOM 89 CE LYS A 21 -14.960 8.625 1.854 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.333 8.941 1.392 1.00 10.00 N ATOM 0 H LYS A 21 -10.016 9.534 -0.721 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.071 7.525 1.419 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.871 8.284 -0.883 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.976 6.676 -0.194 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.500 7.598 2.010 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.246 9.232 1.429 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.144 9.068 -0.080 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.324 7.356 0.245 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.992 7.776 2.536 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.562 9.470 2.416 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.909 9.251 2.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.294 9.701 0.683 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.760 8.093 0.968 1.00 10.00 H new ATOM 104 N VAL A 22 -8.596 5.970 0.223 1.00 10.00 N ATOM 105 CA VAL A 22 -7.832 4.918 -0.421 1.00 10.00 C ATOM 106 C VAL A 22 -8.541 3.591 -0.200 1.00 10.00 C ATOM 107 O VAL A 22 -8.768 3.186 0.942 1.00 10.00 O ATOM 108 CB VAL A 22 -6.390 4.837 0.124 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.546 3.889 -0.710 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.756 6.217 0.165 1.00 10.00 C ATOM 0 H VAL A 22 -8.408 6.078 1.220 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.766 5.144 -1.485 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.435 4.446 1.140 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.535 3.850 -0.305 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.986 2.892 -0.684 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.511 4.244 -1.740 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.740 6.139 0.552 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.730 6.636 -0.841 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.342 6.868 0.814 1.00 10.00 H new ATOM 120 N ALA A 23 -8.909 2.929 -1.283 1.00 10.00 N ATOM 121 CA ALA A 23 -9.610 1.660 -1.194 1.00 10.00 C ATOM 122 C ALA A 23 -8.933 0.610 -2.058 1.00 10.00 C ATOM 123 O ALA A 23 -8.700 0.828 -3.247 1.00 10.00 O ATOM 124 CB ALA A 23 -11.068 1.828 -1.606 1.00 10.00 C ATOM 0 H ALA A 23 -8.734 3.250 -2.235 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.578 1.323 -0.158 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.579 0.868 -1.534 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.552 2.548 -0.946 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.117 2.189 -2.633 1.00 10.00 H new ATOM 130 N GLY A 24 -8.606 -0.516 -1.453 1.00 10.00 N ATOM 131 CA GLY A 24 -7.970 -1.584 -2.188 1.00 10.00 C ATOM 132 C GLY A 24 -8.987 -2.529 -2.787 1.00 10.00 C ATOM 133 O GLY A 24 -10.185 -2.409 -2.519 1.00 10.00 O ATOM 0 H GLY A 24 -8.769 -0.711 -0.465 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.352 -1.163 -2.981 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.305 -2.137 -1.525 1.00 10.00 H new ATOM 137 N GLN A 25 -8.516 -3.479 -3.581 1.00 10.00 N ATOM 138 CA GLN A 25 -9.393 -4.459 -4.218 1.00 10.00 C ATOM 139 C GLN A 25 -9.875 -5.503 -3.210 1.00 10.00 C ATOM 140 O GLN A 25 -10.447 -6.528 -3.584 1.00 10.00 O ATOM 141 CB GLN A 25 -8.665 -5.141 -5.377 1.00 10.00 C ATOM 142 CG GLN A 25 -8.407 -4.215 -6.553 1.00 10.00 C ATOM 143 CD GLN A 25 -9.671 -3.886 -7.323 1.00 10.00 C ATOM 144 OE1 GLN A 25 -10.555 -4.731 -7.484 1.00 10.00 O ATOM 145 NE2 GLN A 25 -9.779 -2.654 -7.783 1.00 10.00 N ATOM 0 H GLN A 25 -7.527 -3.595 -3.802 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.266 -3.933 -4.605 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.714 -5.535 -5.018 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.255 -5.992 -5.717 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.955 -3.291 -6.191 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.686 -4.680 -7.226 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -9.025 -1.984 -7.629 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -10.616 -2.371 -8.293 1.00 10.00 H new ATOM 154 N ASP A 26 -9.632 -5.238 -1.936 1.00 10.00 N ATOM 155 CA ASP A 26 -10.040 -6.129 -0.865 1.00 10.00 C ATOM 156 C ASP A 26 -11.369 -5.663 -0.277 1.00 10.00 C ATOM 157 O ASP A 26 -12.181 -6.474 0.174 1.00 10.00 O ATOM 158 CB ASP A 26 -8.966 -6.179 0.229 1.00 10.00 C ATOM 159 CG ASP A 26 -8.951 -4.938 1.098 1.00 10.00 C ATOM 160 OD1 ASP A 26 -8.958 -3.815 0.546 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.938 -5.076 2.337 1.00 10.00 O ATOM 0 H ASP A 26 -9.147 -4.399 -1.617 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.165 -7.132 -1.273 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.135 -7.054 0.857 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -7.988 -6.303 -0.235 1.00 10.00 H new ATOM 166 N GLY A 27 -11.590 -4.353 -0.299 1.00 10.00 N ATOM 167 CA GLY A 27 -12.818 -3.798 0.227 1.00 10.00 C ATOM 168 C GLY A 27 -12.586 -2.827 1.369 1.00 10.00 C ATOM 169 O GLY A 27 -13.537 -2.280 1.925 1.00 10.00 O ATOM 0 H GLY A 27 -10.936 -3.665 -0.674 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.352 -3.288 -0.574 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.459 -4.609 0.571 1.00 10.00 H new ATOM 173 N SER A 28 -11.325 -2.608 1.726 1.00 10.00 N ATOM 174 CA SER A 28 -11.008 -1.696 2.813 1.00 10.00 C ATOM 175 C SER A 28 -10.868 -0.265 2.305 1.00 10.00 C ATOM 176 O SER A 28 -10.084 0.012 1.397 1.00 10.00 O ATOM 177 CB SER A 28 -9.721 -2.121 3.534 1.00 10.00 C ATOM 178 OG SER A 28 -8.623 -2.214 2.642 1.00 10.00 O ATOM 0 H SER A 28 -10.516 -3.045 1.283 1.00 10.00 H new ATOM 0 HA SER A 28 -11.835 -1.736 3.522 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.491 -1.402 4.320 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.878 -3.084 4.019 1.00 10.00 H new ATOM 0 HG SER A 28 -8.941 -2.502 1.761 1.00 10.00 H new ATOM 184 N VAL A 29 -11.654 0.633 2.879 1.00 10.00 N ATOM 185 CA VAL A 29 -11.598 2.038 2.511 1.00 10.00 C ATOM 186 C VAL A 29 -11.062 2.840 3.694 1.00 10.00 C ATOM 187 O VAL A 29 -11.554 2.715 4.819 1.00 10.00 O ATOM 188 CB VAL A 29 -12.981 2.577 2.061 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.034 2.367 3.138 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.888 4.045 1.675 1.00 10.00 C ATOM 0 H VAL A 29 -12.339 0.413 3.602 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.929 2.146 1.658 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.288 2.011 1.182 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.992 2.756 2.791 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.130 1.302 3.350 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.736 2.893 4.045 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.869 4.402 1.363 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.546 4.626 2.532 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.181 4.161 0.853 1.00 10.00 H new ATOM 200 N VAL A 30 -10.029 3.628 3.455 1.00 10.00 N ATOM 201 CA VAL A 30 -9.433 4.419 4.518 1.00 10.00 C ATOM 202 C VAL A 30 -9.775 5.893 4.397 1.00 10.00 C ATOM 203 O VAL A 30 -10.110 6.388 3.320 1.00 10.00 O ATOM 204 CB VAL A 30 -7.893 4.296 4.548 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.454 2.847 4.605 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.268 4.996 3.358 1.00 10.00 C ATOM 0 H VAL A 30 -9.588 3.737 2.542 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.853 4.015 5.439 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.544 4.787 5.456 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.365 2.797 4.625 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.855 2.380 5.505 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.825 2.319 3.726 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.184 4.894 3.404 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.636 4.545 2.436 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.534 6.053 3.377 1.00 10.00 H new ATOM 216 N GLN A 31 -9.700 6.577 5.526 1.00 10.00 N ATOM 217 CA GLN A 31 -9.929 8.007 5.587 1.00 10.00 C ATOM 218 C GLN A 31 -8.597 8.657 5.913 1.00 10.00 C ATOM 219 O GLN A 31 -8.222 8.782 7.081 1.00 10.00 O ATOM 220 CB GLN A 31 -10.978 8.353 6.645 1.00 10.00 C ATOM 221 CG GLN A 31 -11.377 9.821 6.655 1.00 10.00 C ATOM 222 CD GLN A 31 -12.489 10.115 7.638 1.00 10.00 C ATOM 223 OE1 GLN A 31 -13.353 9.274 7.891 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.477 11.313 8.204 1.00 10.00 N ATOM 0 H GLN A 31 -9.478 6.154 6.427 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.314 8.373 4.635 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.867 7.745 6.475 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.592 8.084 7.628 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.507 10.428 6.904 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.695 10.114 5.654 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.744 11.981 7.968 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -13.201 11.567 8.876 1.00 10.00 H new ATOM 233 N PHE A 32 -7.865 9.016 4.874 1.00 10.00 N ATOM 234 CA PHE A 32 -6.544 9.601 5.032 1.00 10.00 C ATOM 235 C PHE A 32 -6.589 11.045 5.501 1.00 10.00 C ATOM 236 O PHE A 32 -7.049 11.931 4.781 1.00 10.00 O ATOM 237 CB PHE A 32 -5.770 9.519 3.715 1.00 10.00 C ATOM 238 CG PHE A 32 -4.554 8.644 3.790 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.615 7.320 3.397 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.347 9.149 4.246 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.500 6.510 3.463 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.228 8.343 4.316 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.304 7.024 3.920 1.00 10.00 C ATOM 0 H PHE A 32 -8.165 8.912 3.905 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.038 9.023 5.805 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.432 9.141 2.936 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.468 10.523 3.417 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.548 6.914 3.034 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.281 10.183 4.550 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.563 5.476 3.158 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.294 8.745 4.680 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.428 6.394 3.968 1.00 10.00 H new ATOM 253 N LYS A 33 -6.117 11.265 6.719 1.00 10.00 N ATOM 254 CA LYS A 33 -6.032 12.602 7.277 1.00 10.00 C ATOM 255 C LYS A 33 -4.657 13.150 6.931 1.00 10.00 C ATOM 256 O LYS A 33 -3.707 13.011 7.706 1.00 10.00 O ATOM 257 CB LYS A 33 -6.231 12.576 8.795 1.00 10.00 C ATOM 258 CG LYS A 33 -6.395 13.956 9.412 1.00 10.00 C ATOM 259 CD LYS A 33 -7.858 14.323 9.571 1.00 10.00 C ATOM 260 CE LYS A 33 -8.021 15.721 10.146 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.451 16.080 10.329 1.00 10.00 N ATOM 0 H LYS A 33 -5.786 10.528 7.342 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.816 13.235 6.862 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.111 11.977 9.027 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.377 12.080 9.256 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.905 13.981 10.385 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -5.899 14.697 8.786 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.356 14.266 8.603 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -8.347 13.600 10.224 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.506 15.782 11.105 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.547 16.444 9.483 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.520 17.040 10.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.938 16.047 9.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.898 15.405 10.982 1.00 10.00 H new ATOM 275 N ILE A 34 -4.544 13.737 5.752 1.00 10.00 N ATOM 276 CA ILE A 34 -3.268 14.245 5.276 1.00 10.00 C ATOM 277 C ILE A 34 -3.396 15.669 4.729 1.00 10.00 C ATOM 278 O ILE A 34 -4.506 16.170 4.537 1.00 10.00 O ATOM 279 CB ILE A 34 -2.725 13.293 4.184 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.234 13.514 3.936 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.511 13.450 2.887 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.585 12.409 3.124 1.00 10.00 C ATOM 0 H ILE A 34 -5.321 13.874 5.106 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.572 14.284 6.114 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.854 12.273 4.547 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.097 14.463 3.418 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.723 13.597 4.895 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.111 12.771 2.134 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.560 13.215 3.067 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.425 14.477 2.531 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.473 12.632 2.987 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.691 11.460 3.651 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.070 12.340 2.151 1.00 10.00 H new ATOM 294 N LYS A 35 -2.258 16.325 4.515 1.00 10.00 N ATOM 295 CA LYS A 35 -2.241 17.673 3.969 1.00 10.00 C ATOM 296 C LYS A 35 -2.214 17.612 2.445 1.00 10.00 C ATOM 297 O LYS A 35 -2.276 16.534 1.860 1.00 10.00 O ATOM 298 CB LYS A 35 -1.024 18.457 4.469 1.00 10.00 C ATOM 299 CG LYS A 35 -1.131 18.954 5.900 1.00 10.00 C ATOM 300 CD LYS A 35 -0.027 19.954 6.206 1.00 10.00 C ATOM 301 CE LYS A 35 0.119 20.208 7.696 1.00 10.00 C ATOM 302 NZ LYS A 35 1.408 20.885 8.012 1.00 10.00 N ATOM 0 H LYS A 35 -1.334 15.940 4.713 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.143 18.185 4.304 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.141 17.823 4.384 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.866 19.313 3.813 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.104 19.420 6.057 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.066 18.112 6.589 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.918 19.583 5.808 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.240 20.895 5.698 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.711 20.823 8.044 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.062 19.262 8.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.475 21.043 9.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.200 20.286 7.702 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.451 21.799 7.517 1.00 10.00 H new ATOM 316 N ARG A 36 -2.092 18.764 1.805 1.00 10.00 N ATOM 317 CA ARG A 36 -2.067 18.817 0.350 1.00 10.00 C ATOM 318 C ARG A 36 -0.635 18.841 -0.188 1.00 10.00 C ATOM 319 O ARG A 36 -0.409 18.592 -1.371 1.00 10.00 O ATOM 320 CB ARG A 36 -2.835 20.043 -0.146 1.00 10.00 C ATOM 321 CG ARG A 36 -4.303 20.040 0.257 1.00 10.00 C ATOM 322 CD ARG A 36 -5.083 21.131 -0.458 1.00 10.00 C ATOM 323 NE ARG A 36 -5.044 20.962 -1.910 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.081 20.570 -2.652 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.263 20.337 -2.092 1.00 10.00 N ATOM 326 NH2 ARG A 36 -5.943 20.429 -3.963 1.00 10.00 N ATOM 0 H ARG A 36 -2.009 19.670 2.266 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.549 17.914 -0.024 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.360 20.943 0.245 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.764 20.092 -1.233 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.742 19.069 0.028 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.385 20.180 1.335 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.119 21.120 -0.118 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.671 22.105 -0.194 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.164 21.157 -2.388 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.384 20.458 -1.086 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.050 20.038 -2.668 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.044 20.620 -4.405 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -6.736 20.129 -4.530 1.00 10.00 H new ATOM 340 N HIS A 37 0.332 19.120 0.682 1.00 10.00 N ATOM 341 CA HIS A 37 1.729 19.185 0.255 1.00 10.00 C ATOM 342 C HIS A 37 2.513 17.943 0.691 1.00 10.00 C ATOM 343 O HIS A 37 3.678 17.777 0.328 1.00 10.00 O ATOM 344 CB HIS A 37 2.399 20.473 0.773 1.00 10.00 C ATOM 345 CG HIS A 37 2.884 20.411 2.198 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.155 20.812 2.533 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.245 19.996 3.317 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.260 20.630 3.837 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.131 20.136 4.354 1.00 10.00 N ATOM 0 H HIS A 37 0.179 19.303 1.674 1.00 10.00 H new ATOM 0 HA HIS A 37 1.740 19.208 -0.835 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.245 20.709 0.127 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.689 21.295 0.682 1.00 10.00 H new ATOM 0 HD1 HIS A 37 4.871 21.176 1.904 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.232 19.626 3.381 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.146 20.852 4.413 1.00 10.00 H new ATOM 357 N THR A 38 1.871 17.079 1.464 1.00 10.00 N ATOM 358 CA THR A 38 2.509 15.859 1.935 1.00 10.00 C ATOM 359 C THR A 38 2.628 14.853 0.787 1.00 10.00 C ATOM 360 O THR A 38 1.639 14.543 0.122 1.00 10.00 O ATOM 361 CB THR A 38 1.715 15.241 3.103 1.00 10.00 C ATOM 362 OG1 THR A 38 1.249 16.282 3.974 1.00 10.00 O ATOM 363 CG2 THR A 38 2.568 14.258 3.898 1.00 10.00 C ATOM 0 H THR A 38 0.908 17.201 1.778 1.00 10.00 H new ATOM 0 HA THR A 38 3.507 16.109 2.295 1.00 10.00 H new ATOM 0 HB THR A 38 0.868 14.697 2.684 1.00 10.00 H new ATOM 0 HG1 THR A 38 0.743 15.887 4.715 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.978 13.841 4.714 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.901 13.453 3.243 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.436 14.776 4.306 1.00 10.00 H new ATOM 371 N PRO A 39 3.849 14.358 0.522 1.00 10.00 N ATOM 372 CA PRO A 39 4.104 13.396 -0.559 1.00 10.00 C ATOM 373 C PRO A 39 3.229 12.150 -0.471 1.00 10.00 C ATOM 374 O PRO A 39 3.044 11.576 0.608 1.00 10.00 O ATOM 375 CB PRO A 39 5.575 13.024 -0.365 1.00 10.00 C ATOM 376 CG PRO A 39 6.171 14.167 0.376 1.00 10.00 C ATOM 377 CD PRO A 39 5.081 14.702 1.256 1.00 10.00 C ATOM 0 HA PRO A 39 3.877 13.826 -1.535 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.676 12.095 0.196 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.073 12.873 -1.323 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.027 13.844 0.968 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.529 14.933 -0.311 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.101 14.243 2.245 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.174 15.778 1.402 1.00 10.00 H new ATOM 385 N LEU A 40 2.715 11.717 -1.620 1.00 10.00 N ATOM 386 CA LEU A 40 1.864 10.534 -1.687 1.00 10.00 C ATOM 387 C LEU A 40 2.677 9.275 -1.419 1.00 10.00 C ATOM 388 O LEU A 40 2.127 8.186 -1.253 1.00 10.00 O ATOM 389 CB LEU A 40 1.172 10.446 -3.050 1.00 10.00 C ATOM 390 CG LEU A 40 0.081 11.494 -3.293 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.436 11.402 -4.716 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.061 11.318 -2.306 1.00 10.00 C ATOM 0 H LEU A 40 2.874 12.170 -2.520 1.00 10.00 H new ATOM 0 HA LEU A 40 1.097 10.619 -0.917 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.927 10.542 -3.830 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.731 9.454 -3.153 1.00 10.00 H new ATOM 0 HG LEU A 40 0.517 12.482 -3.144 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.210 12.153 -4.871 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.384 11.576 -5.413 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.854 10.410 -4.888 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.825 12.072 -2.496 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.494 10.325 -2.424 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.684 11.431 -1.290 1.00 10.00 H new ATOM 404 N SER A 41 3.993 9.434 -1.377 1.00 10.00 N ATOM 405 CA SER A 41 4.891 8.333 -1.095 1.00 10.00 C ATOM 406 C SER A 41 4.630 7.813 0.314 1.00 10.00 C ATOM 407 O SER A 41 4.675 6.607 0.566 1.00 10.00 O ATOM 408 CB SER A 41 6.328 8.818 -1.231 1.00 10.00 C ATOM 409 OG SER A 41 6.349 10.202 -1.544 1.00 10.00 O ATOM 0 H SER A 41 4.461 10.326 -1.537 1.00 10.00 H new ATOM 0 HA SER A 41 4.723 7.520 -1.801 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.870 8.639 -0.302 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.838 8.253 -2.011 1.00 10.00 H new ATOM 0 HG SER A 41 6.987 10.363 -2.270 1.00 10.00 H new ATOM 415 N LYS A 42 4.333 8.736 1.228 1.00 10.00 N ATOM 416 CA LYS A 42 4.038 8.376 2.607 1.00 10.00 C ATOM 417 C LYS A 42 2.692 7.669 2.673 1.00 10.00 C ATOM 418 O LYS A 42 2.482 6.779 3.494 1.00 10.00 O ATOM 419 CB LYS A 42 4.025 9.615 3.510 1.00 10.00 C ATOM 420 CG LYS A 42 3.931 9.276 4.993 1.00 10.00 C ATOM 421 CD LYS A 42 3.813 10.520 5.861 1.00 10.00 C ATOM 422 CE LYS A 42 4.033 10.178 7.329 1.00 10.00 C ATOM 423 NZ LYS A 42 4.322 11.378 8.164 1.00 10.00 N ATOM 0 H LYS A 42 4.291 9.737 1.035 1.00 10.00 H new ATOM 0 HA LYS A 42 4.820 7.706 2.964 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.931 10.195 3.333 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.182 10.249 3.235 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.067 8.633 5.163 1.00 10.00 H new ATOM 0 HG3 LYS A 42 4.813 8.710 5.291 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.545 11.262 5.542 1.00 10.00 H new ATOM 0 HD3 LYS A 42 2.828 10.968 5.731 1.00 10.00 H new ATOM 0 HE2 LYS A 42 3.147 9.676 7.717 1.00 10.00 H new ATOM 0 HE3 LYS A 42 4.861 9.474 7.413 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.038 11.139 8.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.680 12.144 7.559 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 3.450 11.690 8.637 1.00 10.00 H new ATOM 437 N LEU A 43 1.792 8.066 1.779 1.00 10.00 N ATOM 438 CA LEU A 43 0.463 7.480 1.705 1.00 10.00 C ATOM 439 C LEU A 43 0.560 5.995 1.386 1.00 10.00 C ATOM 440 O LEU A 43 -0.120 5.169 1.995 1.00 10.00 O ATOM 441 CB LEU A 43 -0.370 8.202 0.642 1.00 10.00 C ATOM 442 CG LEU A 43 -1.857 7.847 0.623 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.695 9.091 0.375 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.143 6.794 -0.440 1.00 10.00 C ATOM 0 H LEU A 43 1.964 8.799 1.090 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.028 7.595 2.671 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.272 9.277 0.796 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.052 7.981 -0.338 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.125 7.435 1.596 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.751 8.822 0.364 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.513 9.816 1.168 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.422 9.528 -0.586 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.206 6.555 -0.438 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.860 7.179 -1.419 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.568 5.894 -0.224 1.00 10.00 H new ATOM 456 N MET A 44 1.428 5.664 0.439 1.00 10.00 N ATOM 457 CA MET A 44 1.627 4.280 0.035 1.00 10.00 C ATOM 458 C MET A 44 2.265 3.477 1.165 1.00 10.00 C ATOM 459 O MET A 44 1.834 2.366 1.474 1.00 10.00 O ATOM 460 CB MET A 44 2.503 4.213 -1.218 1.00 10.00 C ATOM 461 CG MET A 44 1.906 4.931 -2.416 1.00 10.00 C ATOM 462 SD MET A 44 2.755 4.538 -3.958 1.00 10.00 S ATOM 463 CE MET A 44 4.315 5.387 -3.720 1.00 10.00 C ATOM 0 H MET A 44 2.006 6.337 -0.064 1.00 10.00 H new ATOM 0 HA MET A 44 0.653 3.846 -0.192 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.477 4.647 -0.994 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.671 3.168 -1.478 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.853 4.663 -2.507 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.948 6.007 -2.247 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.994 5.135 -4.534 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.145 6.464 -3.709 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.756 5.080 -2.772 1.00 10.00 H new ATOM 473 N LYS A 45 3.277 4.061 1.797 1.00 10.00 N ATOM 474 CA LYS A 45 3.987 3.402 2.889 1.00 10.00 C ATOM 475 C LYS A 45 3.085 3.181 4.103 1.00 10.00 C ATOM 476 O LYS A 45 3.097 2.109 4.698 1.00 10.00 O ATOM 477 CB LYS A 45 5.211 4.221 3.299 1.00 10.00 C ATOM 478 CG LYS A 45 6.302 4.260 2.239 1.00 10.00 C ATOM 479 CD LYS A 45 7.532 5.011 2.730 1.00 10.00 C ATOM 480 CE LYS A 45 7.265 6.503 2.852 1.00 10.00 C ATOM 481 NZ LYS A 45 8.374 7.218 3.533 1.00 10.00 N ATOM 0 H LYS A 45 3.626 4.993 1.571 1.00 10.00 H new ATOM 0 HA LYS A 45 4.307 2.426 2.525 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.897 5.241 3.523 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.624 3.806 4.218 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.581 3.242 1.965 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.918 4.738 1.338 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.838 4.615 3.698 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.360 4.844 2.041 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.118 6.926 1.858 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.339 6.661 3.406 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.148 8.231 3.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.499 6.833 4.491 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.253 7.091 2.992 1.00 10.00 H new ATOM 495 N ALA A 46 2.297 4.192 4.451 1.00 10.00 N ATOM 496 CA ALA A 46 1.401 4.106 5.602 1.00 10.00 C ATOM 497 C ALA A 46 0.427 2.940 5.461 1.00 10.00 C ATOM 498 O ALA A 46 0.258 2.144 6.385 1.00 10.00 O ATOM 499 CB ALA A 46 0.644 5.410 5.783 1.00 10.00 C ATOM 0 H ALA A 46 2.259 5.082 3.953 1.00 10.00 H new ATOM 0 HA ALA A 46 2.011 3.927 6.488 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.019 5.329 6.644 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.352 6.222 5.945 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.054 5.616 4.890 1.00 10.00 H new ATOM 505 N TYR A 47 -0.204 2.837 4.297 1.00 10.00 N ATOM 506 CA TYR A 47 -1.150 1.758 4.043 1.00 10.00 C ATOM 507 C TYR A 47 -0.410 0.427 3.927 1.00 10.00 C ATOM 508 O TYR A 47 -0.936 -0.628 4.291 1.00 10.00 O ATOM 509 CB TYR A 47 -1.959 2.034 2.769 1.00 10.00 C ATOM 510 CG TYR A 47 -3.023 0.994 2.489 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.873 0.080 1.451 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.176 0.919 3.266 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.834 -0.879 1.200 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.142 -0.039 3.017 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.967 -0.932 1.983 1.00 10.00 C ATOM 516 OH TYR A 47 -5.919 -1.895 1.739 1.00 10.00 O ATOM 0 H TYR A 47 -0.079 3.484 3.518 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.844 1.702 4.881 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.432 3.012 2.854 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.278 2.082 1.919 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.990 0.121 0.831 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.318 1.620 4.076 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.699 -1.585 0.394 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.030 -0.087 3.631 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.744 -1.668 2.217 1.00 10.00 H new ATOM 526 N CYS A 48 0.820 0.494 3.435 1.00 10.00 N ATOM 527 CA CYS A 48 1.663 -0.684 3.271 1.00 10.00 C ATOM 528 C CYS A 48 1.949 -1.330 4.624 1.00 10.00 C ATOM 529 O CYS A 48 1.833 -2.546 4.784 1.00 10.00 O ATOM 530 CB CYS A 48 2.973 -0.287 2.592 1.00 10.00 C ATOM 531 SG CYS A 48 3.898 -1.669 1.898 1.00 10.00 S ATOM 0 H CYS A 48 1.261 1.365 3.139 1.00 10.00 H new ATOM 0 HA CYS A 48 1.139 -1.408 2.648 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.755 0.425 1.796 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.603 0.229 3.317 1.00 10.00 H new ATOM 0 HG CYS A 48 4.287 -2.456 2.857 1.00 10.00 H new ATOM 537 N GLU A 49 2.317 -0.501 5.596 1.00 10.00 N ATOM 538 CA GLU A 49 2.608 -0.970 6.945 1.00 10.00 C ATOM 539 C GLU A 49 1.345 -1.543 7.581 1.00 10.00 C ATOM 540 O GLU A 49 1.385 -2.553 8.281 1.00 10.00 O ATOM 541 CB GLU A 49 3.130 0.182 7.805 1.00 10.00 C ATOM 542 CG GLU A 49 4.348 0.885 7.231 1.00 10.00 C ATOM 543 CD GLU A 49 5.570 -0.002 7.180 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.862 -0.677 8.192 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.255 -0.019 6.138 1.00 10.00 O ATOM 0 H GLU A 49 2.421 0.506 5.472 1.00 10.00 H new ATOM 0 HA GLU A 49 3.370 -1.747 6.885 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.332 0.912 7.938 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.379 -0.202 8.794 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.118 1.236 6.225 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.570 1.766 7.833 1.00 10.00 H new ATOM 552 N ARG A 50 0.224 -0.890 7.300 1.00 10.00 N ATOM 553 CA ARG A 50 -1.079 -1.289 7.821 1.00 10.00 C ATOM 554 C ARG A 50 -1.431 -2.713 7.396 1.00 10.00 C ATOM 555 O ARG A 50 -1.838 -3.537 8.213 1.00 10.00 O ATOM 556 CB ARG A 50 -2.136 -0.318 7.302 1.00 10.00 C ATOM 557 CG ARG A 50 -3.417 -0.254 8.117 1.00 10.00 C ATOM 558 CD ARG A 50 -3.768 1.181 8.409 1.00 10.00 C ATOM 559 NE ARG A 50 -3.023 1.701 9.549 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.546 2.520 10.444 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.818 2.861 10.346 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.802 2.974 11.443 1.00 10.00 N ATOM 0 H ARG A 50 0.192 -0.065 6.701 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.046 -1.264 8.910 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.700 0.680 7.262 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.390 -0.596 6.279 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.230 -0.732 7.571 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.293 -0.804 9.050 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.560 1.792 7.530 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.837 1.260 8.607 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.049 1.418 9.661 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.388 2.493 9.584 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.231 3.493 11.032 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.825 2.691 11.521 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.206 3.606 12.134 1.00 10.00 H new ATOM 576 N GLN A 51 -1.266 -2.995 6.110 1.00 10.00 N ATOM 577 CA GLN A 51 -1.568 -4.313 5.568 1.00 10.00 C ATOM 578 C GLN A 51 -0.449 -5.310 5.865 1.00 10.00 C ATOM 579 O GLN A 51 -0.620 -6.516 5.689 1.00 10.00 O ATOM 580 CB GLN A 51 -1.804 -4.217 4.058 1.00 10.00 C ATOM 581 CG GLN A 51 -3.127 -3.560 3.687 1.00 10.00 C ATOM 582 CD GLN A 51 -4.321 -4.470 3.927 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.283 -5.352 4.782 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.394 -4.254 3.182 1.00 10.00 N ATOM 0 H GLN A 51 -0.923 -2.326 5.421 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.474 -4.676 6.052 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.988 -3.652 3.607 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.773 -5.219 3.630 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.250 -2.646 4.268 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.102 -3.270 2.637 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.388 -3.512 2.482 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.227 -4.829 3.308 1.00 10.00 H new ATOM 593 N GLY A 52 0.687 -4.804 6.325 1.00 10.00 N ATOM 594 CA GLY A 52 1.812 -5.668 6.636 1.00 10.00 C ATOM 595 C GLY A 52 2.431 -6.260 5.389 1.00 10.00 C ATOM 596 O GLY A 52 2.787 -7.441 5.357 1.00 10.00 O ATOM 0 H GLY A 52 0.851 -3.811 6.489 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.566 -5.100 7.181 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.481 -6.472 7.294 1.00 10.00 H new ATOM 600 N LEU A 53 2.551 -5.439 4.358 1.00 10.00 N ATOM 601 CA LEU A 53 3.117 -5.873 3.094 1.00 10.00 C ATOM 602 C LEU A 53 4.286 -4.983 2.695 1.00 10.00 C ATOM 603 O LEU A 53 4.672 -4.075 3.435 1.00 10.00 O ATOM 604 CB LEU A 53 2.049 -5.838 1.995 1.00 10.00 C ATOM 605 CG LEU A 53 0.802 -6.689 2.254 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.289 -6.348 1.252 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.138 -8.172 2.186 1.00 10.00 C ATOM 0 H LEU A 53 2.261 -4.461 4.374 1.00 10.00 H new ATOM 0 HA LEU A 53 3.476 -6.895 3.216 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.737 -4.804 1.850 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.504 -6.168 1.061 1.00 10.00 H new ATOM 0 HG LEU A 53 0.438 -6.466 3.257 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.169 -6.961 1.449 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.553 -5.294 1.346 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.071 -6.544 0.242 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.238 -8.758 2.373 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.528 -8.412 1.197 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.889 -8.410 2.940 1.00 10.00 H new ATOM 619 N SER A 54 4.847 -5.258 1.531 1.00 10.00 N ATOM 620 CA SER A 54 5.951 -4.481 1.004 1.00 10.00 C ATOM 621 C SER A 54 5.455 -3.603 -0.139 1.00 10.00 C ATOM 622 O SER A 54 4.599 -4.016 -0.927 1.00 10.00 O ATOM 623 CB SER A 54 7.069 -5.406 0.519 1.00 10.00 C ATOM 624 OG SER A 54 8.125 -4.665 -0.075 1.00 10.00 O ATOM 0 H SER A 54 4.550 -6.024 0.927 1.00 10.00 H new ATOM 0 HA SER A 54 6.352 -3.846 1.794 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.455 -5.986 1.357 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.669 -6.117 -0.203 1.00 10.00 H new ATOM 0 HG SER A 54 8.827 -5.279 -0.375 1.00 10.00 H new ATOM 630 N MET A 55 6.004 -2.397 -0.232 1.00 10.00 N ATOM 631 CA MET A 55 5.617 -1.444 -1.269 1.00 10.00 C ATOM 632 C MET A 55 5.988 -1.963 -2.654 1.00 10.00 C ATOM 633 O MET A 55 5.502 -1.470 -3.668 1.00 10.00 O ATOM 634 CB MET A 55 6.289 -0.093 -1.013 1.00 10.00 C ATOM 635 CG MET A 55 5.600 1.075 -1.704 1.00 10.00 C ATOM 636 SD MET A 55 6.415 2.656 -1.391 1.00 10.00 S ATOM 637 CE MET A 55 7.900 2.475 -2.377 1.00 10.00 C ATOM 0 H MET A 55 6.724 -2.053 0.403 1.00 10.00 H new ATOM 0 HA MET A 55 4.535 -1.318 -1.234 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.311 0.094 0.061 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.325 -0.143 -1.350 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.574 0.891 -2.778 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.565 1.132 -1.366 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.401 3.439 -2.460 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.569 1.759 -1.900 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.635 2.117 -3.372 1.00 10.00 H new ATOM 647 N ARG A 56 6.841 -2.976 -2.689 1.00 10.00 N ATOM 648 CA ARG A 56 7.275 -3.561 -3.945 1.00 10.00 C ATOM 649 C ARG A 56 6.259 -4.587 -4.447 1.00 10.00 C ATOM 650 O ARG A 56 6.383 -5.104 -5.553 1.00 10.00 O ATOM 651 CB ARG A 56 8.649 -4.211 -3.772 1.00 10.00 C ATOM 652 CG ARG A 56 9.324 -4.564 -5.085 1.00 10.00 C ATOM 653 CD ARG A 56 10.711 -5.143 -4.865 1.00 10.00 C ATOM 654 NE ARG A 56 11.305 -5.614 -6.114 1.00 10.00 N ATOM 655 CZ ARG A 56 12.259 -4.967 -6.780 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.740 -3.817 -6.320 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.728 -5.469 -7.915 1.00 10.00 N ATOM 0 H ARG A 56 7.246 -3.409 -1.859 1.00 10.00 H new ATOM 0 HA ARG A 56 7.350 -2.768 -4.689 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.294 -3.534 -3.212 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.541 -5.116 -3.174 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.711 -5.284 -5.628 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.396 -3.673 -5.708 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.355 -4.385 -4.419 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.652 -5.969 -4.156 1.00 10.00 H new ATOM 0 HE ARG A 56 10.967 -6.495 -6.501 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.378 -3.424 -5.451 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.471 -3.327 -6.836 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.358 -6.348 -8.275 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.459 -4.975 -8.427 1.00 10.00 H new ATOM 671 N GLN A 57 5.242 -4.865 -3.642 1.00 10.00 N ATOM 672 CA GLN A 57 4.220 -5.839 -4.017 1.00 10.00 C ATOM 673 C GLN A 57 2.904 -5.160 -4.407 1.00 10.00 C ATOM 674 O GLN A 57 2.225 -5.594 -5.338 1.00 10.00 O ATOM 675 CB GLN A 57 3.985 -6.818 -2.865 1.00 10.00 C ATOM 676 CG GLN A 57 2.971 -7.905 -3.185 1.00 10.00 C ATOM 677 CD GLN A 57 2.867 -8.949 -2.089 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.844 -9.243 -1.399 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.685 -9.513 -1.923 1.00 10.00 N ATOM 0 H GLN A 57 5.101 -4.433 -2.729 1.00 10.00 H new ATOM 0 HA GLN A 57 4.582 -6.383 -4.890 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.933 -7.285 -2.597 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.645 -6.262 -1.991 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.993 -7.449 -3.341 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.249 -8.392 -4.120 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.902 -9.240 -2.517 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.555 -10.222 -1.201 1.00 10.00 H new ATOM 688 N ILE A 58 2.549 -4.095 -3.704 1.00 10.00 N ATOM 689 CA ILE A 58 1.305 -3.385 -3.981 1.00 10.00 C ATOM 690 C ILE A 58 1.509 -2.254 -4.985 1.00 10.00 C ATOM 691 O ILE A 58 2.609 -1.716 -5.121 1.00 10.00 O ATOM 692 CB ILE A 58 0.671 -2.826 -2.691 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.716 -2.074 -1.858 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.044 -3.956 -1.883 1.00 10.00 C ATOM 695 CD1 ILE A 58 1.181 -1.555 -0.539 1.00 10.00 C ATOM 0 H ILE A 58 3.100 -3.703 -2.941 1.00 10.00 H new ATOM 0 HA ILE A 58 0.624 -4.116 -4.417 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.113 -2.120 -2.964 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.559 -2.737 -1.663 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.098 -1.236 -2.441 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.401 -3.550 -0.974 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.728 -4.444 -2.478 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.812 -4.683 -1.618 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.975 -1.034 -0.004 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.357 -0.866 -0.726 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.825 -2.391 0.063 1.00 10.00 H new ATOM 707 N ARG A 59 0.447 -1.913 -5.706 1.00 10.00 N ATOM 708 CA ARG A 59 0.494 -0.850 -6.706 1.00 10.00 C ATOM 709 C ARG A 59 -0.643 0.142 -6.486 1.00 10.00 C ATOM 710 O ARG A 59 -1.806 -0.247 -6.414 1.00 10.00 O ATOM 711 CB ARG A 59 0.385 -1.430 -8.122 1.00 10.00 C ATOM 712 CG ARG A 59 1.434 -2.481 -8.447 1.00 10.00 C ATOM 713 CD ARG A 59 2.828 -1.877 -8.518 1.00 10.00 C ATOM 714 NE ARG A 59 3.854 -2.901 -8.701 1.00 10.00 N ATOM 715 CZ ARG A 59 4.757 -3.230 -7.778 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.753 -2.632 -6.593 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.657 -4.173 -8.038 1.00 10.00 N ATOM 0 H ARG A 59 -0.465 -2.361 -5.616 1.00 10.00 H new ATOM 0 HA ARG A 59 1.450 -0.337 -6.600 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.605 -1.870 -8.247 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.466 -0.617 -8.843 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.414 -3.263 -7.688 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.193 -2.954 -9.399 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.874 -1.165 -9.342 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.030 -1.320 -7.603 1.00 10.00 H new ATOM 0 HE ARG A 59 3.881 -3.396 -9.593 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.056 -1.917 -6.385 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.447 -2.888 -5.890 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.656 -4.644 -8.943 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.349 -4.426 -7.333 1.00 10.00 H new ATOM 731 N PHE A 60 -0.304 1.417 -6.388 1.00 10.00 N ATOM 732 CA PHE A 60 -1.298 2.462 -6.182 1.00 10.00 C ATOM 733 C PHE A 60 -1.569 3.194 -7.490 1.00 10.00 C ATOM 734 O PHE A 60 -0.639 3.527 -8.227 1.00 10.00 O ATOM 735 CB PHE A 60 -0.824 3.458 -5.120 1.00 10.00 C ATOM 736 CG PHE A 60 -0.840 2.915 -3.720 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.077 1.956 -3.323 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.763 3.375 -2.796 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.072 1.461 -2.038 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.773 2.882 -1.505 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.854 1.925 -1.124 1.00 10.00 C ATOM 0 H PHE A 60 0.656 1.756 -6.448 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.219 1.994 -5.835 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.190 3.777 -5.363 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.456 4.345 -5.161 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.806 1.591 -4.031 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.482 4.126 -3.087 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.791 0.711 -1.745 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.500 3.246 -0.794 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.859 1.540 -0.115 1.00 10.00 H new ATOM 751 N ARG A 61 -2.837 3.435 -7.786 1.00 10.00 N ATOM 752 CA ARG A 61 -3.201 4.126 -9.012 1.00 10.00 C ATOM 753 C ARG A 61 -4.184 5.256 -8.747 1.00 10.00 C ATOM 754 O ARG A 61 -5.155 5.092 -8.006 1.00 10.00 O ATOM 755 CB ARG A 61 -3.801 3.152 -10.031 1.00 10.00 C ATOM 756 CG ARG A 61 -2.774 2.251 -10.701 1.00 10.00 C ATOM 757 CD ARG A 61 -3.317 1.637 -11.983 1.00 10.00 C ATOM 758 NE ARG A 61 -2.303 0.837 -12.672 1.00 10.00 N ATOM 759 CZ ARG A 61 -1.973 0.990 -13.957 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.609 1.879 -14.718 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.012 0.239 -14.485 1.00 10.00 N ATOM 0 H ARG A 61 -3.626 3.164 -7.199 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.286 4.554 -9.422 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.544 2.531 -9.531 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.326 3.722 -10.798 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.876 2.826 -10.925 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.481 1.458 -10.013 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.178 1.011 -11.750 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.668 2.428 -12.645 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.818 0.117 -12.137 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.355 2.450 -14.320 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.350 1.989 -15.698 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.530 -0.451 -13.909 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -0.757 0.353 -15.466 1.00 10.00 H new ATOM 775 N PHE A 62 -3.920 6.400 -9.356 1.00 10.00 N ATOM 776 CA PHE A 62 -4.778 7.566 -9.222 1.00 10.00 C ATOM 777 C PHE A 62 -5.475 7.823 -10.548 1.00 10.00 C ATOM 778 O PHE A 62 -4.814 8.089 -11.555 1.00 10.00 O ATOM 779 CB PHE A 62 -3.974 8.804 -8.802 1.00 10.00 C ATOM 780 CG PHE A 62 -4.755 10.087 -8.882 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.783 10.349 -7.991 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.468 11.027 -9.862 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.502 11.526 -8.070 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.183 12.205 -9.945 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.205 12.453 -9.050 1.00 10.00 C ATOM 0 H PHE A 62 -3.108 6.547 -9.955 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.516 7.370 -8.444 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.620 8.667 -7.780 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.092 8.886 -9.437 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.025 9.625 -7.227 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.675 10.834 -10.569 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.297 11.721 -7.365 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.944 12.931 -10.708 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.771 13.370 -9.116 1.00 10.00 H new ATOM 795 N ASP A 63 -6.800 7.717 -10.541 1.00 10.00 N ATOM 796 CA ASP A 63 -7.618 7.924 -11.735 1.00 10.00 C ATOM 797 C ASP A 63 -7.333 6.841 -12.776 1.00 10.00 C ATOM 798 O ASP A 63 -8.082 5.871 -12.888 1.00 10.00 O ATOM 799 CB ASP A 63 -7.392 9.322 -12.332 1.00 10.00 C ATOM 800 CG ASP A 63 -8.318 9.614 -13.495 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.535 9.773 -13.266 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.828 9.704 -14.641 1.00 10.00 O ATOM 0 H ASP A 63 -7.339 7.485 -9.707 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.665 7.854 -11.439 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.541 10.073 -11.556 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.358 9.408 -12.665 1.00 10.00 H new ATOM 807 N GLY A 64 -6.240 6.996 -13.510 1.00 10.00 N ATOM 808 CA GLY A 64 -5.878 6.020 -14.517 1.00 10.00 C ATOM 809 C GLY A 64 -4.379 5.797 -14.603 1.00 10.00 C ATOM 810 O GLY A 64 -3.917 4.903 -15.311 1.00 10.00 O ATOM 0 H GLY A 64 -5.596 7.783 -13.425 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.370 5.073 -14.293 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.249 6.350 -15.487 1.00 10.00 H new ATOM 814 N GLN A 65 -3.614 6.591 -13.866 1.00 10.00 N ATOM 815 CA GLN A 65 -2.159 6.477 -13.885 1.00 10.00 C ATOM 816 C GLN A 65 -1.627 6.050 -12.518 1.00 10.00 C ATOM 817 O GLN A 65 -2.204 6.394 -11.489 1.00 10.00 O ATOM 818 CB GLN A 65 -1.530 7.816 -14.292 1.00 10.00 C ATOM 819 CG GLN A 65 -1.966 8.315 -15.663 1.00 10.00 C ATOM 820 CD GLN A 65 -1.437 7.465 -16.802 1.00 10.00 C ATOM 821 OE1 GLN A 65 -0.206 6.988 -16.674 1.00 10.00 O flip ATOM 822 NE2 GLN A 65 -2.124 7.258 -17.803 1.00 10.00 N flip ATOM 0 H GLN A 65 -3.974 7.319 -13.249 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.888 5.714 -14.615 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -1.786 8.568 -13.545 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.445 7.714 -14.282 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.055 8.333 -15.707 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.624 9.342 -15.795 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -3.067 7.643 -17.863 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -1.750 6.702 -18.572 1.00 10.00 H new ATOM 831 N PRO A 66 -0.530 5.272 -12.494 1.00 10.00 N ATOM 832 CA PRO A 66 0.090 4.814 -11.243 1.00 10.00 C ATOM 833 C PRO A 66 0.722 5.967 -10.471 1.00 10.00 C ATOM 834 O PRO A 66 1.191 6.936 -11.068 1.00 10.00 O ATOM 835 CB PRO A 66 1.157 3.820 -11.711 1.00 10.00 C ATOM 836 CG PRO A 66 1.456 4.200 -13.119 1.00 10.00 C ATOM 837 CD PRO A 66 0.186 4.773 -13.682 1.00 10.00 C ATOM 0 HA PRO A 66 -0.635 4.373 -10.559 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.050 3.880 -11.089 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.793 2.794 -11.649 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.264 4.931 -13.161 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.780 3.333 -13.695 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.389 5.574 -14.393 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.394 4.017 -14.211 1.00 10.00 H new ATOM 845 N ILE A 67 0.731 5.864 -9.153 1.00 10.00 N ATOM 846 CA ILE A 67 1.297 6.908 -8.309 1.00 10.00 C ATOM 847 C ILE A 67 2.786 6.671 -8.072 1.00 10.00 C ATOM 848 O ILE A 67 3.208 5.551 -7.780 1.00 10.00 O ATOM 849 CB ILE A 67 0.565 6.987 -6.950 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.935 7.203 -7.169 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.145 8.102 -6.090 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.735 7.289 -5.884 1.00 10.00 C ATOM 0 H ILE A 67 0.352 5.067 -8.641 1.00 10.00 H new ATOM 0 HA ILE A 67 1.166 7.854 -8.834 1.00 10.00 H new ATOM 0 HB ILE A 67 0.709 6.043 -6.425 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.081 8.121 -7.739 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.326 6.386 -7.775 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.615 8.140 -5.138 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.203 7.910 -5.909 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.033 9.055 -6.606 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.788 7.442 -6.120 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.621 6.362 -5.322 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.372 8.124 -5.285 1.00 10.00 H new ATOM 864 N ASN A 68 3.573 7.726 -8.220 1.00 10.00 N ATOM 865 CA ASN A 68 5.013 7.655 -8.010 1.00 10.00 C ATOM 866 C ASN A 68 5.369 8.252 -6.654 1.00 10.00 C ATOM 867 O ASN A 68 4.550 8.924 -6.026 1.00 10.00 O ATOM 868 CB ASN A 68 5.762 8.403 -9.117 1.00 10.00 C ATOM 869 CG ASN A 68 5.641 7.728 -10.471 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.050 6.579 -10.653 1.00 10.00 O ATOM 871 ND2 ASN A 68 5.091 8.444 -11.440 1.00 10.00 N ATOM 0 H ASN A 68 3.235 8.651 -8.487 1.00 10.00 H new ATOM 0 HA ASN A 68 5.313 6.607 -8.036 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.375 9.420 -9.188 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.815 8.480 -8.848 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.994 8.048 -12.375 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.764 9.392 -11.251 1.00 10.00 H new ATOM 878 N GLU A 69 6.597 8.025 -6.215 1.00 10.00 N ATOM 879 CA GLU A 69 7.061 8.532 -4.929 1.00 10.00 C ATOM 880 C GLU A 69 7.253 10.047 -4.967 1.00 10.00 C ATOM 881 O GLU A 69 7.407 10.687 -3.929 1.00 10.00 O ATOM 882 CB GLU A 69 8.372 7.849 -4.532 1.00 10.00 C ATOM 883 CG GLU A 69 8.341 6.338 -4.698 1.00 10.00 C ATOM 884 CD GLU A 69 8.942 5.877 -6.013 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.893 5.065 -5.983 1.00 10.00 O ATOM 886 OE2 GLU A 69 8.471 6.325 -7.080 1.00 10.00 O ATOM 0 H GLU A 69 7.295 7.490 -6.732 1.00 10.00 H new ATOM 0 HA GLU A 69 6.298 8.305 -4.185 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.183 8.257 -5.136 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.597 8.088 -3.493 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.884 5.876 -3.874 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.310 5.991 -4.634 1.00 10.00 H new ATOM 893 N THR A 70 7.241 10.611 -6.163 1.00 10.00 N ATOM 894 CA THR A 70 7.415 12.047 -6.341 1.00 10.00 C ATOM 895 C THR A 70 6.080 12.743 -6.603 1.00 10.00 C ATOM 896 O THR A 70 6.042 13.899 -7.029 1.00 10.00 O ATOM 897 CB THR A 70 8.368 12.327 -7.515 1.00 10.00 C ATOM 898 OG1 THR A 70 8.633 11.108 -8.227 1.00 10.00 O ATOM 899 CG2 THR A 70 9.673 12.929 -7.021 1.00 10.00 C ATOM 0 H THR A 70 7.112 10.094 -7.033 1.00 10.00 H new ATOM 0 HA THR A 70 7.839 12.442 -5.418 1.00 10.00 H new ATOM 0 HB THR A 70 7.890 13.043 -8.184 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.239 11.291 -8.975 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.331 13.118 -7.869 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.469 13.867 -6.504 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.157 12.234 -6.334 1.00 10.00 H new ATOM 907 N ASP A 71 4.985 12.044 -6.336 1.00 10.00 N ATOM 908 CA ASP A 71 3.656 12.600 -6.557 1.00 10.00 C ATOM 909 C ASP A 71 3.105 13.237 -5.288 1.00 10.00 C ATOM 910 O ASP A 71 3.353 12.759 -4.178 1.00 10.00 O ATOM 911 CB ASP A 71 2.688 11.521 -7.055 1.00 10.00 C ATOM 912 CG ASP A 71 2.811 11.269 -8.543 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.037 12.235 -9.300 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.673 10.103 -8.969 1.00 10.00 O ATOM 0 H ASP A 71 4.990 11.093 -5.967 1.00 10.00 H new ATOM 0 HA ASP A 71 3.750 13.372 -7.321 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.877 10.592 -6.516 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.666 11.821 -6.824 1.00 10.00 H new ATOM 919 N THR A 72 2.359 14.318 -5.468 1.00 10.00 N ATOM 920 CA THR A 72 1.748 15.039 -4.361 1.00 10.00 C ATOM 921 C THR A 72 0.306 15.405 -4.708 1.00 10.00 C ATOM 922 O THR A 72 -0.010 15.613 -5.882 1.00 10.00 O ATOM 923 CB THR A 72 2.536 16.326 -4.035 1.00 10.00 C ATOM 924 OG1 THR A 72 3.177 16.816 -5.221 1.00 10.00 O ATOM 925 CG2 THR A 72 3.577 16.073 -2.955 1.00 10.00 C ATOM 0 H THR A 72 2.161 14.719 -6.385 1.00 10.00 H new ATOM 0 HA THR A 72 1.763 14.388 -3.487 1.00 10.00 H new ATOM 0 HB THR A 72 1.833 17.072 -3.664 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.674 17.634 -5.010 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.116 16.997 -2.746 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.083 15.728 -2.047 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.279 15.312 -3.297 1.00 10.00 H new ATOM 933 N PRO A 73 -0.585 15.494 -3.704 1.00 10.00 N ATOM 934 CA PRO A 73 -1.997 15.838 -3.924 1.00 10.00 C ATOM 935 C PRO A 73 -2.164 17.168 -4.659 1.00 10.00 C ATOM 936 O PRO A 73 -3.013 17.299 -5.542 1.00 10.00 O ATOM 937 CB PRO A 73 -2.571 15.946 -2.508 1.00 10.00 C ATOM 938 CG PRO A 73 -1.658 15.138 -1.656 1.00 10.00 C ATOM 939 CD PRO A 73 -0.295 15.261 -2.275 1.00 10.00 C ATOM 0 HA PRO A 73 -2.497 15.096 -4.547 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.606 16.983 -2.175 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.591 15.563 -2.466 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.655 15.506 -0.630 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.978 14.097 -1.620 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.270 16.086 -1.841 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.296 14.357 -2.128 1.00 10.00 H new ATOM 947 N ALA A 74 -1.339 18.145 -4.297 1.00 10.00 N ATOM 948 CA ALA A 74 -1.394 19.465 -4.912 1.00 10.00 C ATOM 949 C ALA A 74 -0.948 19.435 -6.372 1.00 10.00 C ATOM 950 O ALA A 74 -1.501 20.147 -7.211 1.00 10.00 O ATOM 951 CB ALA A 74 -0.536 20.445 -4.130 1.00 10.00 C ATOM 0 H ALA A 74 -0.622 18.046 -3.578 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.434 19.791 -4.889 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.586 21.427 -4.600 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.903 20.513 -3.106 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.497 20.098 -4.122 1.00 10.00 H new ATOM 957 N GLN A 75 0.049 18.611 -6.674 1.00 10.00 N ATOM 958 CA GLN A 75 0.564 18.506 -8.035 1.00 10.00 C ATOM 959 C GLN A 75 -0.402 17.728 -8.922 1.00 10.00 C ATOM 960 O GLN A 75 -0.541 18.017 -10.110 1.00 10.00 O ATOM 961 CB GLN A 75 1.941 17.834 -8.035 1.00 10.00 C ATOM 962 CG GLN A 75 2.620 17.810 -9.396 1.00 10.00 C ATOM 963 CD GLN A 75 2.857 19.199 -9.959 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.039 20.165 -9.215 1.00 10.00 O ATOM 965 NE2 GLN A 75 2.862 19.306 -11.277 1.00 10.00 N ATOM 0 H GLN A 75 0.516 18.007 -5.997 1.00 10.00 H new ATOM 0 HA GLN A 75 0.665 19.514 -8.439 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.587 18.354 -7.328 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.834 16.810 -7.676 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.574 17.289 -9.312 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.006 17.240 -10.093 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.707 18.481 -11.856 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.021 20.214 -11.714 1.00 10.00 H new ATOM 974 N LEU A 76 -1.074 16.747 -8.340 1.00 10.00 N ATOM 975 CA LEU A 76 -2.025 15.928 -9.086 1.00 10.00 C ATOM 976 C LEU A 76 -3.387 16.606 -9.189 1.00 10.00 C ATOM 977 O LEU A 76 -4.307 16.061 -9.797 1.00 10.00 O ATOM 978 CB LEU A 76 -2.173 14.552 -8.434 1.00 10.00 C ATOM 979 CG LEU A 76 -1.183 13.493 -8.923 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.334 12.208 -8.123 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.381 13.221 -10.407 1.00 10.00 C ATOM 0 H LEU A 76 -0.981 16.497 -7.356 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.632 15.805 -10.095 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.059 14.664 -7.356 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.186 14.190 -8.611 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.173 13.875 -8.774 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.621 11.468 -8.486 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.142 12.411 -7.069 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.347 11.824 -8.240 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.668 12.465 -10.737 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.396 12.862 -10.579 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.221 14.141 -10.970 1.00 10.00 H new ATOM 993 N GLU A 77 -3.503 17.797 -8.595 1.00 10.00 N ATOM 994 CA GLU A 77 -4.751 18.564 -8.615 1.00 10.00 C ATOM 995 C GLU A 77 -5.890 17.771 -7.981 1.00 10.00 C ATOM 996 O GLU A 77 -7.043 17.867 -8.403 1.00 10.00 O ATOM 997 CB GLU A 77 -5.112 18.961 -10.049 1.00 10.00 C ATOM 998 CG GLU A 77 -4.260 20.091 -10.601 1.00 10.00 C ATOM 999 CD GLU A 77 -4.738 21.450 -10.141 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.137 22.011 -9.201 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -5.714 21.967 -10.730 1.00 10.00 O ATOM 0 H GLU A 77 -2.742 18.253 -8.091 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.600 19.470 -8.028 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.008 18.090 -10.695 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.160 19.258 -10.082 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.225 19.948 -10.289 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.273 20.054 -11.690 1.00 10.00 H new ATOM 1008 N MET A 78 -5.557 17.007 -6.949 1.00 10.00 N ATOM 1009 CA MET A 78 -6.534 16.184 -6.252 1.00 10.00 C ATOM 1010 C MET A 78 -7.419 17.035 -5.356 1.00 10.00 C ATOM 1011 O MET A 78 -7.068 18.164 -5.012 1.00 10.00 O ATOM 1012 CB MET A 78 -5.832 15.118 -5.415 1.00 10.00 C ATOM 1013 CG MET A 78 -4.927 14.213 -6.226 1.00 10.00 C ATOM 1014 SD MET A 78 -3.965 13.091 -5.197 1.00 10.00 S ATOM 1015 CE MET A 78 -5.258 12.019 -4.573 1.00 10.00 C ATOM 0 H MET A 78 -4.610 16.941 -6.575 1.00 10.00 H new ATOM 0 HA MET A 78 -7.159 15.698 -7.002 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.243 15.606 -4.639 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.583 14.510 -4.911 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.531 13.632 -6.923 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.249 14.824 -6.823 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.331 12.129 -3.491 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.209 12.291 -5.031 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.021 10.983 -4.817 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.560 16.485 -4.974 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.496 17.197 -4.123 1.00 10.00 C ATOM 1027 C GLU A 79 -10.027 16.286 -3.027 1.00 10.00 C ATOM 1028 O GLU A 79 -9.655 15.113 -2.944 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.649 17.767 -4.954 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.311 19.086 -5.628 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.204 20.235 -4.645 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.129 21.074 -4.609 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.201 20.309 -3.902 1.00 10.00 O ATOM 0 H GLU A 79 -8.859 15.547 -5.241 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.968 18.026 -3.651 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.932 17.040 -5.715 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.517 17.908 -4.310 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.368 18.984 -6.165 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.076 19.317 -6.369 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.882 16.837 -2.179 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.466 16.085 -1.078 1.00 10.00 C ATOM 1042 C ASP A 80 -12.394 15.009 -1.618 1.00 10.00 C ATOM 1043 O ASP A 80 -13.046 15.213 -2.646 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.231 17.026 -0.145 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.392 16.461 1.252 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.476 16.655 2.085 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.434 15.832 1.530 1.00 10.00 O ATOM 0 H ASP A 80 -11.189 17.808 -2.233 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.666 15.607 -0.512 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.707 17.980 -0.088 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.216 17.228 -0.567 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.423 13.865 -0.936 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.263 12.727 -1.316 1.00 10.00 C ATOM 1054 C GLU A 81 -12.703 11.996 -2.535 1.00 10.00 C ATOM 1055 O GLU A 81 -13.418 11.237 -3.196 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.711 13.157 -1.579 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.525 13.350 -0.312 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.666 12.070 0.482 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.608 11.297 0.207 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -14.847 11.830 1.389 1.00 10.00 O ATOM 0 H GLU A 81 -11.862 13.699 -0.100 1.00 10.00 H new ATOM 0 HA GLU A 81 -13.258 12.038 -0.471 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.708 14.089 -2.145 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.197 12.407 -2.203 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -15.051 14.110 0.309 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -16.515 13.724 -0.573 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.427 12.214 -2.834 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.797 11.547 -3.968 1.00 10.00 C ATOM 1069 C ASP A 82 -10.601 10.072 -3.648 1.00 10.00 C ATOM 1070 O ASP A 82 -10.546 9.689 -2.479 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.457 12.191 -4.319 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.330 12.476 -5.805 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.540 11.543 -6.616 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.035 13.635 -6.167 1.00 10.00 O ATOM 0 H ASP A 82 -10.814 12.841 -2.313 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.452 11.650 -4.833 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.346 13.121 -3.762 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.646 11.533 -4.006 1.00 10.00 H new ATOM 1079 N THR A 83 -10.492 9.249 -4.673 1.00 10.00 N ATOM 1080 CA THR A 83 -10.340 7.819 -4.469 1.00 10.00 C ATOM 1081 C THR A 83 -9.033 7.290 -5.052 1.00 10.00 C ATOM 1082 O THR A 83 -8.641 7.652 -6.160 1.00 10.00 O ATOM 1083 CB THR A 83 -11.520 7.058 -5.103 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.590 7.972 -5.385 1.00 10.00 O ATOM 1085 CG2 THR A 83 -12.024 5.963 -4.177 1.00 10.00 C ATOM 0 H THR A 83 -10.506 9.542 -5.650 1.00 10.00 H new ATOM 0 HA THR A 83 -10.324 7.653 -3.392 1.00 10.00 H new ATOM 0 HB THR A 83 -11.171 6.598 -6.027 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.338 7.485 -5.790 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.857 5.442 -4.649 1.00 10.00 H new ATOM 0 HG22 THR A 83 -11.219 5.255 -3.978 1.00 10.00 H new ATOM 0 HG23 THR A 83 -12.358 6.405 -3.239 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.359 6.449 -4.285 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.109 5.834 -4.713 1.00 10.00 C ATOM 1095 C ILE A 84 -7.253 4.321 -4.625 1.00 10.00 C ATOM 1096 O ILE A 84 -7.540 3.791 -3.552 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.910 6.293 -3.854 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.733 7.811 -3.956 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.634 5.581 -4.287 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.700 8.373 -3.002 1.00 10.00 C ATOM 0 H ILE A 84 -8.660 6.173 -3.350 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.910 6.144 -5.739 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.112 6.033 -2.815 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.448 8.066 -4.977 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.692 8.293 -3.763 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.802 5.919 -3.670 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.760 4.505 -4.169 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.426 5.810 -5.332 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.632 9.453 -3.134 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.993 8.151 -1.976 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.730 7.921 -3.208 1.00 10.00 H new ATOM 1112 N ASP A 85 -7.069 3.636 -5.742 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.211 2.183 -5.769 1.00 10.00 C ATOM 1114 C ASP A 85 -5.873 1.498 -5.537 1.00 10.00 C ATOM 1115 O ASP A 85 -4.826 1.979 -5.989 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.814 1.723 -7.096 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.723 0.517 -6.931 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.220 -0.623 -6.982 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.949 0.711 -6.758 1.00 10.00 O ATOM 0 H ASP A 85 -6.823 4.056 -6.638 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.886 1.901 -4.961 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -8.379 2.543 -7.539 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.011 1.477 -7.791 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.909 0.379 -4.829 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.703 -0.378 -4.526 1.00 10.00 C ATOM 1126 C VAL A 86 -4.748 -1.759 -5.164 1.00 10.00 C ATOM 1127 O VAL A 86 -5.587 -2.594 -4.814 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.490 -0.540 -3.005 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.110 -1.113 -2.714 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.678 0.788 -2.286 1.00 10.00 C ATOM 0 H VAL A 86 -6.765 -0.027 -4.452 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.870 0.191 -4.939 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.239 -1.238 -2.632 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.980 -1.219 -1.637 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.014 -2.089 -3.189 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.347 -0.441 -3.107 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.523 0.648 -1.216 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.957 1.512 -2.665 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.689 1.156 -2.461 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.836 -1.993 -6.095 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.746 -3.266 -6.788 1.00 10.00 C ATOM 1142 C PHE A 87 -2.532 -4.046 -6.301 1.00 10.00 C ATOM 1143 O PHE A 87 -1.750 -3.549 -5.490 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.643 -3.045 -8.303 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.868 -2.432 -8.917 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.935 -3.228 -9.301 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.949 -1.062 -9.123 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.058 -2.670 -9.877 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.071 -0.499 -9.697 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.128 -1.307 -10.075 1.00 10.00 C ATOM 0 H PHE A 87 -3.140 -1.308 -6.390 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.649 -3.838 -6.574 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.786 -2.403 -8.508 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.447 -4.002 -8.787 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.887 -4.296 -9.148 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.124 -0.429 -8.831 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.883 -3.301 -10.173 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.123 0.569 -9.850 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.008 -0.871 -10.525 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.369 -5.262 -6.801 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.241 -6.098 -6.419 1.00 10.00 C ATOM 1162 C GLN A 88 -0.485 -6.566 -7.657 1.00 10.00 C ATOM 1163 O GLN A 88 -1.088 -6.811 -8.704 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.709 -7.305 -5.607 1.00 10.00 C ATOM 1165 CG GLN A 88 -1.976 -6.987 -4.141 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.385 -8.024 -3.207 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.385 -8.665 -3.527 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.989 -8.194 -2.039 1.00 10.00 N ATOM 0 H GLN A 88 -3.005 -5.692 -7.473 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.572 -5.501 -5.798 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.619 -7.703 -6.055 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.954 -8.089 -5.669 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.559 -6.008 -3.903 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.052 -6.924 -3.976 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.817 -7.644 -1.808 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.626 -8.875 -1.371 1.00 10.00 H new ATOM 1177 N GLN A 89 0.830 -6.676 -7.534 1.00 10.00 N ATOM 1178 CA GLN A 89 1.677 -7.115 -8.637 1.00 10.00 C ATOM 1179 C GLN A 89 1.565 -8.628 -8.827 1.00 10.00 C ATOM 1180 O GLN A 89 1.236 -9.358 -7.889 1.00 10.00 O ATOM 1181 CB GLN A 89 3.132 -6.713 -8.368 1.00 10.00 C ATOM 1182 CG GLN A 89 4.083 -7.003 -9.521 1.00 10.00 C ATOM 1183 CD GLN A 89 3.882 -6.083 -10.708 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.486 -4.927 -10.564 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.161 -6.591 -11.891 1.00 10.00 N ATOM 0 H GLN A 89 1.338 -6.466 -6.675 1.00 10.00 H new ATOM 0 HA GLN A 89 1.342 -6.631 -9.554 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.167 -5.647 -8.142 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.484 -7.238 -7.480 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.110 -6.911 -9.168 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.948 -8.036 -9.843 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.487 -7.554 -11.968 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.051 -6.021 -12.730 1.00 10.00 H new ATOM 1194 N GLN A 90 1.811 -9.087 -10.051 1.00 10.00 N ATOM 1195 CA GLN A 90 1.750 -10.507 -10.377 1.00 10.00 C ATOM 1196 C GLN A 90 2.780 -11.296 -9.574 1.00 10.00 C ATOM 1197 O GLN A 90 3.844 -10.775 -9.229 1.00 10.00 O ATOM 1198 CB GLN A 90 1.988 -10.729 -11.875 1.00 10.00 C ATOM 1199 CG GLN A 90 0.815 -10.323 -12.758 1.00 10.00 C ATOM 1200 CD GLN A 90 0.614 -8.818 -12.832 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.560 -8.044 -12.697 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.620 -8.396 -13.047 1.00 10.00 N ATOM 0 H GLN A 90 2.057 -8.489 -10.840 1.00 10.00 H new ATOM 0 HA GLN A 90 0.753 -10.863 -10.117 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.870 -10.165 -12.179 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.209 -11.783 -12.045 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.974 -10.712 -13.764 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.095 -10.786 -12.378 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.378 -9.070 -13.154 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.814 -7.396 -13.106 1.00 10.00 H new ATOM 1211 N THR A 91 2.456 -12.546 -9.281 1.00 10.00 N ATOM 1212 CA THR A 91 3.337 -13.409 -8.521 1.00 10.00 C ATOM 1213 C THR A 91 4.569 -13.797 -9.334 1.00 10.00 C ATOM 1214 O THR A 91 5.701 -13.677 -8.859 1.00 10.00 O ATOM 1215 CB THR A 91 2.588 -14.674 -8.085 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.314 -14.724 -8.745 1.00 10.00 O ATOM 1217 CG2 THR A 91 2.394 -14.682 -6.577 1.00 10.00 C ATOM 0 H THR A 91 1.580 -12.986 -9.563 1.00 10.00 H new ATOM 0 HA THR A 91 3.667 -12.858 -7.640 1.00 10.00 H new ATOM 0 HB THR A 91 3.175 -15.550 -8.361 1.00 10.00 H new ATOM 0 HG1 THR A 91 0.834 -15.533 -8.469 1.00 10.00 H new ATOM 0 HG21 THR A 91 1.861 -15.586 -6.284 1.00 10.00 H new ATOM 0 HG22 THR A 91 3.366 -14.658 -6.085 1.00 10.00 H new ATOM 0 HG23 THR A 91 1.816 -13.807 -6.280 1.00 10.00 H new ATOM 1225 N GLY A 92 4.343 -14.244 -10.562 1.00 10.00 N ATOM 1226 CA GLY A 92 5.437 -14.645 -11.420 1.00 10.00 C ATOM 1227 C GLY A 92 4.962 -15.487 -12.582 1.00 10.00 C ATOM 1228 O GLY A 92 3.913 -16.148 -12.447 1.00 10.00 O ATOM 0 H GLY A 92 3.417 -14.336 -10.979 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.946 -13.758 -11.798 1.00 10.00 H new ATOM 0 HA3 GLY A 92 6.167 -15.208 -10.838 1.00 10.00 H new ATOM 1233 N ASN B 357 -18.699 -3.737 4.976 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.403 -2.380 5.484 1.00 10.00 C ATOM 1235 C ASN B 357 -17.126 -2.389 6.305 1.00 10.00 C ATOM 1236 O ASN B 357 -17.162 -2.622 7.511 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.562 -1.865 6.348 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.250 -0.529 7.012 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -18.653 0.356 6.401 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.641 -0.376 8.273 1.00 10.00 N ATOM 0 HA ASN B 357 -18.274 -1.718 4.628 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.453 -1.759 5.729 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.793 -2.603 7.116 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.448 0.497 8.764 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.134 -1.131 8.749 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.995 -2.160 5.650 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.724 -2.118 6.352 1.00 10.00 C ATOM 1249 C ASN B 358 -14.097 -0.751 6.165 1.00 10.00 C ATOM 1250 O ASN B 358 -13.868 -0.306 5.040 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.778 -3.213 5.831 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.470 -3.282 6.603 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.403 -2.903 7.772 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.427 -3.790 5.961 1.00 10.00 N ATOM 0 H ASN B 358 -15.934 -2.002 4.644 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.897 -2.299 7.413 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.280 -4.178 5.891 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.563 -3.030 4.778 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.529 -3.878 6.436 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.523 -4.093 4.992 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.828 -0.085 7.272 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.226 1.231 7.241 1.00 10.00 C ATOM 1263 C ARG B 359 -11.957 1.254 8.085 1.00 10.00 C ATOM 1264 O ARG B 359 -11.941 0.775 9.218 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.218 2.304 7.704 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.649 2.170 9.149 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.421 3.393 9.607 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.734 3.329 11.029 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.748 3.969 11.598 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.551 4.737 10.874 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.956 3.849 12.901 1.00 10.00 N ATOM 0 H ARG B 359 -14.019 -0.438 8.209 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.955 1.459 6.210 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.767 3.286 7.561 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.102 2.264 7.068 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.269 1.281 9.265 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.772 2.032 9.782 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.837 4.290 9.403 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.345 3.477 9.034 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.136 2.756 11.625 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.392 4.839 9.872 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.328 5.225 11.319 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.337 3.266 13.465 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.735 4.340 13.340 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.901 1.787 7.518 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.626 1.891 8.210 1.00 10.00 C ATOM 1287 C ASP B 360 -9.243 3.364 8.314 1.00 10.00 C ATOM 1288 O ASP B 360 -9.412 4.107 7.355 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.533 1.087 7.500 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.271 0.978 8.336 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.538 1.981 8.458 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.006 -0.116 8.876 1.00 10.00 O ATOM 0 H ASP B 360 -10.895 2.161 6.569 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.727 1.468 9.209 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.906 0.088 7.276 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.296 1.560 6.547 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.763 3.832 9.472 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.422 5.232 9.647 1.00 10.00 C ATOM 1299 C PRO B 361 -6.915 5.470 9.737 1.00 10.00 C ATOM 1300 O PRO B 361 -6.240 4.973 10.638 1.00 10.00 O ATOM 1301 CB PRO B 361 -9.053 5.479 11.017 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.888 4.168 11.759 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.589 3.095 10.723 1.00 10.00 C ATOM 0 HA PRO B 361 -8.754 5.868 8.827 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.556 6.296 11.541 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -10.104 5.752 10.925 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.078 4.237 12.485 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.794 3.924 12.314 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.580 2.697 10.826 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.274 2.251 10.799 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.409 6.312 8.847 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.985 6.604 8.802 1.00 10.00 C ATOM 1313 C ILE B 362 -4.729 8.083 9.040 1.00 10.00 C ATOM 1314 O ILE B 362 -5.352 8.950 8.422 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.353 6.168 7.459 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.688 4.696 7.169 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.841 6.383 7.478 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.891 4.097 6.032 1.00 10.00 C ATOM 0 H ILE B 362 -6.964 6.804 8.147 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.514 6.029 9.599 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.771 6.784 6.663 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.512 4.109 8.071 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.750 4.614 6.937 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.417 6.070 6.524 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.626 7.439 7.642 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.400 5.794 8.282 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.185 3.057 5.890 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.085 4.657 5.117 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.828 4.144 6.268 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.817 8.361 9.942 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.464 9.718 10.276 1.00 10.00 C ATOM 1332 C VAL B 363 -2.010 9.945 9.932 1.00 10.00 C ATOM 1333 O VAL B 363 -1.149 9.130 10.258 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.705 10.029 11.772 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.492 11.508 12.071 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -5.102 9.598 12.192 1.00 10.00 C ATOM 0 H VAL B 363 -3.300 7.653 10.463 1.00 10.00 H new ATOM 0 HA VAL B 363 -4.102 10.388 9.699 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.977 9.461 12.351 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.669 11.694 13.130 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.469 11.786 11.820 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -4.186 12.103 11.477 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -5.251 9.826 13.248 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.842 10.133 11.597 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -5.215 8.526 12.033 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.753 11.045 9.268 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.418 11.403 8.838 1.00 10.00 C ATOM 1348 C ILE B 364 0.021 12.646 9.578 1.00 10.00 C ATOM 1349 O ILE B 364 -0.762 13.579 9.758 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.343 11.670 7.309 1.00 10.00 C ATOM 1351 CG1 ILE B 364 -0.334 10.375 6.488 1.00 10.00 C ATOM 1352 CG2 ILE B 364 0.888 12.490 6.969 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.233 9.173 7.207 1.00 10.00 C ATOM 0 H ILE B 364 -2.468 11.724 9.007 1.00 10.00 H new ATOM 0 HA ILE B 364 0.239 10.562 9.060 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.242 12.227 7.046 1.00 10.00 H new ATOM 0 HG12 ILE B 364 -1.355 10.149 6.181 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.243 10.542 5.578 1.00 10.00 H new ATOM 0 HG21 ILE B 364 0.922 12.666 5.894 1.00 10.00 H new ATOM 0 HG22 ILE B 364 0.845 13.445 7.492 1.00 10.00 H new ATOM 0 HG23 ILE B 364 1.782 11.948 7.277 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.198 8.305 6.548 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.267 9.372 7.490 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.356 8.973 8.102 1.00 10.00 H new