USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 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 57 GLN : amide:sc= 0.601 K(o=0.26,f=-1.8) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.338 K(o=0.26,f=-2.1!) USER MOD Set 2.1: A 28 SER OG : rot -105:sc= 1.38 USER MOD Set 2.2: A 47 TYR OH : rot -179:sc= 0.163 USER MOD Single : A 17 HIS : no HD1:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.21 K(o=1.2,f=-0.044) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 0.976 (180deg=0.664) USER MOD Single : A 25 GLN : amide:sc= 1.16 K(o=1.2,f=-0.32) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.53) 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 HD1:sc= -0.0544 X(o=-0.054,f=-0.0052) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.27 USER MOD Single : A 41 SER OG : rot -122:sc= 1.42 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -177:sc= -0.121 (180deg=-0.138) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -68:sc= -0.482 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 54 SER OG : rot 180:sc= 0.149 USER MOD Single : A 55 MET CE :methyl 166:sc=-0.000967 (180deg=-0.221) USER MOD Single : A 65 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 68 ASN : amide:sc= 1.09 K(o=1.1,f=-0.048) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 75 GLN : amide:sc= -0.0312 K(o=-0.031,f=-0.83) USER MOD Single : A 78 MET CE :methyl 138:sc= -0.151 (180deg=-1.25) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.93) USER MOD Single : A 90 GLN : amide:sc= 0.098 K(o=0.098,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : B 357 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 -6.288 20.328 5.843 1.00 10.00 N ATOM 14 CA HIS A 17 -6.104 18.908 5.577 1.00 10.00 C ATOM 15 C HIS A 17 -7.044 18.450 4.469 1.00 10.00 C ATOM 16 O HIS A 17 -8.035 19.120 4.166 1.00 10.00 O ATOM 17 CB HIS A 17 -6.350 18.081 6.841 1.00 10.00 C ATOM 18 CG HIS A 17 -5.197 18.083 7.800 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.117 18.988 8.832 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.119 17.265 7.846 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.000 18.701 9.478 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.361 17.667 8.916 1.00 10.00 N ATOM 0 HA HIS A 17 -5.073 18.755 5.256 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.234 18.466 7.349 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.570 17.053 6.554 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.898 16.452 7.170 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.647 19.233 10.349 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.479 17.257 9.225 1.00 10.00 H new ATOM 30 N ILE A 18 -6.732 17.316 3.871 1.00 10.00 N ATOM 31 CA ILE A 18 -7.543 16.762 2.803 1.00 10.00 C ATOM 32 C ILE A 18 -7.867 15.299 3.103 1.00 10.00 C ATOM 33 O ILE A 18 -7.014 14.545 3.577 1.00 10.00 O ATOM 34 CB ILE A 18 -6.828 16.898 1.431 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.776 16.544 0.284 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.579 16.029 1.374 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.202 16.845 -1.087 1.00 10.00 C ATOM 0 H ILE A 18 -5.914 16.755 4.110 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.475 17.325 2.746 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.524 17.939 1.319 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.024 15.484 0.341 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.707 17.096 0.409 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.099 16.145 0.402 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.887 16.335 2.159 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.855 14.985 1.520 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.927 16.570 -1.853 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.980 17.910 -1.163 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.286 16.272 -1.232 1.00 10.00 H new ATOM 49 N ASN A 19 -9.105 14.906 2.866 1.00 10.00 N ATOM 50 CA ASN A 19 -9.516 13.535 3.128 1.00 10.00 C ATOM 51 C ASN A 19 -9.483 12.723 1.843 1.00 10.00 C ATOM 52 O ASN A 19 -10.252 12.979 0.919 1.00 10.00 O ATOM 53 CB ASN A 19 -10.920 13.500 3.737 1.00 10.00 C ATOM 54 CG ASN A 19 -11.064 14.420 4.937 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.773 14.043 6.073 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.512 15.639 4.690 1.00 10.00 N ATOM 0 H ASN A 19 -9.839 15.509 2.496 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.819 13.097 3.842 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.648 13.785 2.977 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.156 12.479 4.037 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.627 16.305 5.454 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.742 15.914 3.735 1.00 10.00 H new ATOM 63 N LEU A 20 -8.584 11.755 1.776 1.00 10.00 N ATOM 64 CA LEU A 20 -8.464 10.919 0.590 1.00 10.00 C ATOM 65 C LEU A 20 -9.015 9.526 0.859 1.00 10.00 C ATOM 66 O LEU A 20 -8.836 8.974 1.947 1.00 10.00 O ATOM 67 CB LEU A 20 -7.005 10.836 0.134 1.00 10.00 C ATOM 68 CG LEU A 20 -6.374 12.173 -0.270 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.951 11.968 -0.757 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.210 12.860 -1.344 1.00 10.00 C ATOM 0 H LEU A 20 -7.929 11.528 2.524 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.050 11.374 -0.209 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.413 10.401 0.939 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.943 10.152 -0.713 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.348 12.816 0.610 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.521 12.929 -1.039 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.354 11.523 0.039 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.954 11.304 -1.622 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.745 13.807 -1.617 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.270 12.219 -2.224 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.213 13.046 -0.961 1.00 10.00 H new ATOM 82 N LYS A 21 -9.694 8.968 -0.134 1.00 10.00 N ATOM 83 CA LYS A 21 -10.282 7.642 -0.019 1.00 10.00 C ATOM 84 C LYS A 21 -9.402 6.605 -0.695 1.00 10.00 C ATOM 85 O LYS A 21 -9.319 6.555 -1.920 1.00 10.00 O ATOM 86 CB LYS A 21 -11.664 7.596 -0.676 1.00 10.00 C ATOM 87 CG LYS A 21 -12.682 8.555 -0.091 1.00 10.00 C ATOM 88 CD LYS A 21 -13.920 8.611 -0.970 1.00 10.00 C ATOM 89 CE LYS A 21 -14.987 9.515 -0.385 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.990 9.915 -1.405 1.00 10.00 N ATOM 0 H LYS A 21 -9.852 9.418 -1.035 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.372 7.421 1.044 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.552 7.812 -1.739 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.055 6.581 -0.596 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.956 8.236 0.915 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.245 9.550 -0.002 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.645 8.969 -1.962 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.323 7.606 -1.094 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.488 9.002 0.436 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.519 10.406 0.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.500 10.760 -1.077 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.508 10.128 -2.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.665 9.138 -1.551 1.00 10.00 H new ATOM 104 N VAL A 22 -8.737 5.792 0.094 1.00 10.00 N ATOM 105 CA VAL A 22 -7.899 4.737 -0.447 1.00 10.00 C ATOM 106 C VAL A 22 -8.597 3.406 -0.221 1.00 10.00 C ATOM 107 O VAL A 22 -8.882 3.039 0.922 1.00 10.00 O ATOM 108 CB VAL A 22 -6.497 4.726 0.193 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.614 3.664 -0.445 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.853 6.100 0.082 1.00 10.00 C ATOM 0 H VAL A 22 -8.758 5.838 1.113 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.755 4.915 -1.513 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.606 4.479 1.249 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.631 3.678 0.025 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.068 2.683 -0.308 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.510 3.870 -1.510 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.863 6.076 0.539 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.761 6.375 -0.969 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.472 6.835 0.597 1.00 10.00 H new ATOM 120 N ALA A 23 -8.901 2.703 -1.300 1.00 10.00 N ATOM 121 CA ALA A 23 -9.604 1.434 -1.200 1.00 10.00 C ATOM 122 C ALA A 23 -8.811 0.293 -1.811 1.00 10.00 C ATOM 123 O ALA A 23 -8.148 0.453 -2.839 1.00 10.00 O ATOM 124 CB ALA A 23 -10.969 1.537 -1.864 1.00 10.00 C ATOM 0 H ALA A 23 -8.673 2.988 -2.252 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.731 1.214 -0.140 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.486 0.581 -1.783 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.557 2.310 -1.370 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.843 1.793 -2.916 1.00 10.00 H new ATOM 130 N GLY A 24 -8.885 -0.856 -1.160 1.00 10.00 N ATOM 131 CA GLY A 24 -8.194 -2.029 -1.637 1.00 10.00 C ATOM 132 C GLY A 24 -9.136 -2.978 -2.352 1.00 10.00 C ATOM 133 O GLY A 24 -10.355 -2.850 -2.243 1.00 10.00 O ATOM 0 H GLY A 24 -9.418 -0.996 -0.301 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.394 -1.731 -2.314 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.726 -2.543 -0.798 1.00 10.00 H new ATOM 137 N GLN A 25 -8.573 -3.950 -3.062 1.00 10.00 N ATOM 138 CA GLN A 25 -9.366 -4.928 -3.809 1.00 10.00 C ATOM 139 C GLN A 25 -10.119 -5.875 -2.871 1.00 10.00 C ATOM 140 O GLN A 25 -10.920 -6.699 -3.315 1.00 10.00 O ATOM 141 CB GLN A 25 -8.466 -5.735 -4.747 1.00 10.00 C ATOM 142 CG GLN A 25 -7.638 -4.866 -5.678 1.00 10.00 C ATOM 143 CD GLN A 25 -8.487 -4.066 -6.649 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.478 -4.562 -7.180 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.113 -2.817 -6.869 1.00 10.00 N ATOM 0 H GLN A 25 -7.565 -4.084 -3.138 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.101 -4.377 -4.396 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.798 -6.358 -4.152 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.083 -6.408 -5.342 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.031 -4.182 -5.085 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.950 -5.497 -6.240 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.283 -2.444 -6.408 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.654 -2.226 -7.500 1.00 10.00 H new ATOM 154 N ASP A 26 -9.852 -5.756 -1.579 1.00 10.00 N ATOM 155 CA ASP A 26 -10.498 -6.592 -0.573 1.00 10.00 C ATOM 156 C ASP A 26 -11.711 -5.879 0.011 1.00 10.00 C ATOM 157 O ASP A 26 -12.468 -6.456 0.794 1.00 10.00 O ATOM 158 CB ASP A 26 -9.513 -6.932 0.547 1.00 10.00 C ATOM 159 CG ASP A 26 -9.228 -5.737 1.430 1.00 10.00 C ATOM 160 OD1 ASP A 26 -8.847 -4.680 0.892 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.397 -5.849 2.659 1.00 10.00 O ATOM 0 H ASP A 26 -9.187 -5.083 -1.198 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.825 -7.514 -1.053 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.918 -7.743 1.153 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.581 -7.293 0.113 1.00 10.00 H new ATOM 166 N GLY A 27 -11.879 -4.613 -0.357 1.00 10.00 N ATOM 167 CA GLY A 27 -13.006 -3.843 0.129 1.00 10.00 C ATOM 168 C GLY A 27 -12.654 -2.923 1.282 1.00 10.00 C ATOM 169 O GLY A 27 -13.532 -2.265 1.841 1.00 10.00 O ATOM 0 H GLY A 27 -11.253 -4.107 -0.984 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.411 -3.248 -0.690 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.794 -4.526 0.446 1.00 10.00 H new ATOM 173 N SER A 28 -11.379 -2.872 1.649 1.00 10.00 N ATOM 174 CA SER A 28 -10.947 -2.015 2.746 1.00 10.00 C ATOM 175 C SER A 28 -10.943 -0.548 2.326 1.00 10.00 C ATOM 176 O SER A 28 -10.344 -0.187 1.312 1.00 10.00 O ATOM 177 CB SER A 28 -9.546 -2.411 3.222 1.00 10.00 C ATOM 178 OG SER A 28 -8.632 -2.468 2.138 1.00 10.00 O ATOM 0 H SER A 28 -10.632 -3.409 1.208 1.00 10.00 H new ATOM 0 HA SER A 28 -11.655 -2.146 3.564 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.193 -1.691 3.961 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.588 -3.381 3.717 1.00 10.00 H new ATOM 0 HG SER A 28 -8.444 -3.404 1.918 1.00 10.00 H new ATOM 184 N VAL A 29 -11.633 0.286 3.089 1.00 10.00 N ATOM 185 CA VAL A 29 -11.668 1.708 2.808 1.00 10.00 C ATOM 186 C VAL A 29 -11.073 2.467 3.990 1.00 10.00 C ATOM 187 O VAL A 29 -11.533 2.329 5.125 1.00 10.00 O ATOM 188 CB VAL A 29 -13.100 2.212 2.484 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.095 1.832 3.572 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.101 3.716 2.245 1.00 10.00 C ATOM 0 H VAL A 29 -12.174 0.001 3.905 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.071 1.894 1.915 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.421 1.718 1.567 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.085 2.204 3.306 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.129 0.747 3.671 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.784 2.273 4.519 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.114 4.048 2.020 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.742 4.227 3.139 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.447 3.951 1.405 1.00 10.00 H new ATOM 200 N VAL A 30 -10.024 3.230 3.730 1.00 10.00 N ATOM 201 CA VAL A 30 -9.363 3.977 4.789 1.00 10.00 C ATOM 202 C VAL A 30 -9.689 5.464 4.748 1.00 10.00 C ATOM 203 O VAL A 30 -9.976 6.031 3.691 1.00 10.00 O ATOM 204 CB VAL A 30 -7.828 3.818 4.742 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.424 2.364 4.902 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.269 4.387 3.454 1.00 10.00 C ATOM 0 H VAL A 30 -9.614 3.348 2.803 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.748 3.552 5.716 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.408 4.379 5.577 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.338 2.282 4.865 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.784 1.990 5.860 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.860 1.774 4.096 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.186 4.264 3.442 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.703 3.860 2.605 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.515 5.447 3.387 1.00 10.00 H new ATOM 216 N GLN A 31 -9.651 6.078 5.921 1.00 10.00 N ATOM 217 CA GLN A 31 -9.888 7.506 6.062 1.00 10.00 C ATOM 218 C GLN A 31 -8.543 8.195 6.241 1.00 10.00 C ATOM 219 O GLN A 31 -8.043 8.336 7.361 1.00 10.00 O ATOM 220 CB GLN A 31 -10.805 7.790 7.257 1.00 10.00 C ATOM 221 CG GLN A 31 -11.250 9.242 7.360 1.00 10.00 C ATOM 222 CD GLN A 31 -12.145 9.493 8.557 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.885 8.610 8.996 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.077 10.697 9.103 1.00 10.00 N ATOM 0 H GLN A 31 -9.455 5.601 6.801 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.387 7.889 5.172 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.687 7.154 7.185 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.286 7.513 8.175 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.371 9.884 7.427 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.780 9.521 6.449 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.452 11.401 8.710 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.650 10.921 9.917 1.00 10.00 H new ATOM 233 N PHE A 32 -7.948 8.587 5.127 1.00 10.00 N ATOM 234 CA PHE A 32 -6.639 9.221 5.133 1.00 10.00 C ATOM 235 C PHE A 32 -6.712 10.709 5.441 1.00 10.00 C ATOM 236 O PHE A 32 -7.203 11.495 4.628 1.00 10.00 O ATOM 237 CB PHE A 32 -5.959 9.028 3.780 1.00 10.00 C ATOM 238 CG PHE A 32 -4.737 8.157 3.825 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.763 6.888 3.275 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.561 8.611 4.401 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.643 6.084 3.299 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.437 7.809 4.431 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.481 6.544 3.878 1.00 10.00 C ATOM 0 H PHE A 32 -8.355 8.476 4.198 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.061 8.743 5.924 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.676 8.593 3.084 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.681 10.004 3.383 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.672 6.522 2.821 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.523 9.601 4.830 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.677 5.096 2.865 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.526 8.170 4.886 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.603 5.915 3.900 1.00 10.00 H new ATOM 253 N LYS A 33 -6.231 11.090 6.617 1.00 10.00 N ATOM 254 CA LYS A 33 -6.193 12.492 6.994 1.00 10.00 C ATOM 255 C LYS A 33 -4.801 13.028 6.697 1.00 10.00 C ATOM 256 O LYS A 33 -3.941 13.101 7.575 1.00 10.00 O ATOM 257 CB LYS A 33 -6.553 12.697 8.467 1.00 10.00 C ATOM 258 CG LYS A 33 -6.964 14.128 8.788 1.00 10.00 C ATOM 259 CD LYS A 33 -7.553 14.243 10.184 1.00 10.00 C ATOM 260 CE LYS A 33 -6.524 14.728 11.189 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.139 15.002 12.512 1.00 10.00 N ATOM 0 H LYS A 33 -5.864 10.450 7.321 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.938 13.038 6.415 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.367 12.023 8.733 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.698 12.423 9.085 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.097 14.783 8.703 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.695 14.470 8.055 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.398 14.932 10.167 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.939 13.273 10.497 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.741 13.978 11.300 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.047 15.634 10.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -6.407 15.331 13.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.869 15.736 12.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -7.572 14.131 12.880 1.00 10.00 H new ATOM 275 N ILE A 34 -4.590 13.367 5.438 1.00 10.00 N ATOM 276 CA ILE A 34 -3.307 13.858 4.971 1.00 10.00 C ATOM 277 C ILE A 34 -3.430 15.326 4.542 1.00 10.00 C ATOM 278 O ILE A 34 -4.536 15.851 4.447 1.00 10.00 O ATOM 279 CB ILE A 34 -2.813 12.979 3.784 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.415 13.388 3.303 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.814 13.030 2.633 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.832 12.453 2.262 1.00 10.00 C ATOM 0 H ILE A 34 -5.303 13.310 4.711 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.579 13.797 5.780 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.740 11.954 4.146 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.463 14.395 2.888 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.743 13.428 4.160 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.455 12.411 1.811 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.780 12.656 2.974 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.923 14.059 2.291 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.157 12.805 1.970 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.751 11.449 2.679 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.482 12.431 1.388 1.00 10.00 H new ATOM 294 N LYS A 35 -2.307 16.000 4.330 1.00 10.00 N ATOM 295 CA LYS A 35 -2.336 17.384 3.882 1.00 10.00 C ATOM 296 C LYS A 35 -2.221 17.425 2.361 1.00 10.00 C ATOM 297 O LYS A 35 -2.111 16.384 1.716 1.00 10.00 O ATOM 298 CB LYS A 35 -1.212 18.206 4.520 1.00 10.00 C ATOM 299 CG LYS A 35 -1.671 19.101 5.663 1.00 10.00 C ATOM 300 CD LYS A 35 -0.561 20.045 6.105 1.00 10.00 C ATOM 301 CE LYS A 35 -0.937 20.824 7.353 1.00 10.00 C ATOM 302 NZ LYS A 35 0.205 21.628 7.858 1.00 10.00 N ATOM 0 H LYS A 35 -1.372 15.614 4.460 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.282 17.827 4.193 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.444 17.527 4.890 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.747 18.824 3.752 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.540 19.679 5.349 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.986 18.486 6.506 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.347 19.473 6.295 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.335 20.742 5.298 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.777 21.482 7.133 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.268 20.133 8.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -0.086 22.147 8.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.998 20.997 8.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.504 22.304 7.126 1.00 10.00 H new ATOM 316 N ARG A 36 -2.218 18.617 1.792 1.00 10.00 N ATOM 317 CA ARG A 36 -2.141 18.756 0.345 1.00 10.00 C ATOM 318 C ARG A 36 -0.699 18.904 -0.135 1.00 10.00 C ATOM 319 O ARG A 36 -0.419 18.779 -1.328 1.00 10.00 O ATOM 320 CB ARG A 36 -2.988 19.946 -0.110 1.00 10.00 C ATOM 321 CG ARG A 36 -4.427 19.880 0.389 1.00 10.00 C ATOM 322 CD ARG A 36 -5.243 21.085 -0.050 1.00 10.00 C ATOM 323 NE ARG A 36 -5.410 21.135 -1.504 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.549 20.856 -2.143 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.640 20.505 -1.468 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.600 20.931 -3.463 1.00 10.00 N ATOM 0 H ARG A 36 -2.268 19.498 2.303 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.536 17.844 -0.102 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.528 20.868 0.245 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.989 19.989 -1.199 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.897 18.970 0.017 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.430 19.818 1.477 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.223 21.052 0.426 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.754 21.998 0.290 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.602 21.401 -2.067 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.613 20.446 -0.450 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.504 20.295 -1.968 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.770 21.202 -3.991 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.469 20.718 -3.953 1.00 10.00 H new ATOM 340 N HIS A 37 0.216 19.164 0.794 1.00 10.00 N ATOM 341 CA HIS A 37 1.628 19.317 0.446 1.00 10.00 C ATOM 342 C HIS A 37 2.429 18.065 0.812 1.00 10.00 C ATOM 343 O HIS A 37 3.578 17.910 0.392 1.00 10.00 O ATOM 344 CB HIS A 37 2.228 20.563 1.130 1.00 10.00 C ATOM 345 CG HIS A 37 2.731 20.328 2.531 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.077 20.264 2.813 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.034 20.130 3.672 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.162 20.021 4.109 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.952 19.931 4.671 1.00 10.00 N ATOM 0 H HIS A 37 0.009 19.273 1.787 1.00 10.00 H new ATOM 0 HA HIS A 37 1.691 19.452 -0.634 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.051 20.935 0.520 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.471 21.347 1.156 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.959 20.129 3.777 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.092 19.909 4.647 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.751 19.749 5.654 1.00 10.00 H new ATOM 357 N THR A 38 1.824 17.182 1.593 1.00 10.00 N ATOM 358 CA THR A 38 2.486 15.959 2.017 1.00 10.00 C ATOM 359 C THR A 38 2.623 14.982 0.849 1.00 10.00 C ATOM 360 O THR A 38 1.635 14.664 0.184 1.00 10.00 O ATOM 361 CB THR A 38 1.710 15.287 3.166 1.00 10.00 C ATOM 362 OG1 THR A 38 1.129 16.292 4.008 1.00 10.00 O ATOM 363 CG2 THR A 38 2.624 14.396 3.998 1.00 10.00 C ATOM 0 H THR A 38 0.873 17.291 1.946 1.00 10.00 H new ATOM 0 HA THR A 38 3.481 16.227 2.372 1.00 10.00 H new ATOM 0 HB THR A 38 0.926 14.667 2.731 1.00 10.00 H new ATOM 0 HG1 THR A 38 0.917 15.904 4.883 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.050 13.935 4.801 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.050 13.618 3.364 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.427 14.996 4.425 1.00 10.00 H new ATOM 371 N PRO A 39 3.853 14.514 0.568 1.00 10.00 N ATOM 372 CA PRO A 39 4.115 13.577 -0.530 1.00 10.00 C ATOM 373 C PRO A 39 3.292 12.299 -0.415 1.00 10.00 C ATOM 374 O PRO A 39 3.139 11.739 0.674 1.00 10.00 O ATOM 375 CB PRO A 39 5.609 13.262 -0.392 1.00 10.00 C ATOM 376 CG PRO A 39 6.174 14.409 0.365 1.00 10.00 C ATOM 377 CD PRO A 39 5.086 14.871 1.291 1.00 10.00 C ATOM 0 HA PRO A 39 3.845 14.005 -1.495 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.767 12.323 0.138 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.083 13.161 -1.368 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.060 14.109 0.924 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.478 15.209 -0.309 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.143 14.373 2.259 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.146 15.943 1.479 1.00 10.00 H new ATOM 385 N LEU A 40 2.782 11.831 -1.552 1.00 10.00 N ATOM 386 CA LEU A 40 1.969 10.619 -1.595 1.00 10.00 C ATOM 387 C LEU A 40 2.804 9.390 -1.258 1.00 10.00 C ATOM 388 O LEU A 40 2.269 8.299 -1.063 1.00 10.00 O ATOM 389 CB LEU A 40 1.312 10.461 -2.967 1.00 10.00 C ATOM 390 CG LEU A 40 0.202 11.473 -3.273 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.371 11.233 -4.657 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.899 11.398 -2.225 1.00 10.00 C ATOM 0 H LEU A 40 2.919 12.276 -2.460 1.00 10.00 H new ATOM 0 HA LEU A 40 1.184 10.712 -0.844 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.082 10.546 -3.734 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.897 9.456 -3.041 1.00 10.00 H new ATOM 0 HG LEU A 40 0.636 12.472 -3.245 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.157 11.961 -4.856 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.418 11.339 -5.401 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.786 10.227 -4.709 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.676 12.124 -2.461 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.328 10.396 -2.219 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.482 11.620 -1.243 1.00 10.00 H new ATOM 404 N SER A 41 4.116 9.579 -1.186 1.00 10.00 N ATOM 405 CA SER A 41 5.026 8.506 -0.835 1.00 10.00 C ATOM 406 C SER A 41 4.708 8.017 0.576 1.00 10.00 C ATOM 407 O SER A 41 4.796 6.825 0.871 1.00 10.00 O ATOM 408 CB SER A 41 6.461 9.017 -0.922 1.00 10.00 C ATOM 409 OG SER A 41 6.480 10.350 -1.411 1.00 10.00 O ATOM 0 H SER A 41 4.572 10.473 -1.368 1.00 10.00 H new ATOM 0 HA SER A 41 4.910 7.671 -1.526 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.929 8.976 0.062 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.045 8.373 -1.580 1.00 10.00 H new ATOM 0 HG SER A 41 7.023 10.392 -2.226 1.00 10.00 H new ATOM 415 N LYS A 42 4.317 8.956 1.440 1.00 10.00 N ATOM 416 CA LYS A 42 3.952 8.634 2.813 1.00 10.00 C ATOM 417 C LYS A 42 2.663 7.829 2.817 1.00 10.00 C ATOM 418 O LYS A 42 2.524 6.853 3.549 1.00 10.00 O ATOM 419 CB LYS A 42 3.747 9.913 3.632 1.00 10.00 C ATOM 420 CG LYS A 42 5.006 10.440 4.300 1.00 10.00 C ATOM 421 CD LYS A 42 4.658 11.441 5.393 1.00 10.00 C ATOM 422 CE LYS A 42 5.892 11.878 6.164 1.00 10.00 C ATOM 423 NZ LYS A 42 5.548 12.448 7.494 1.00 10.00 N ATOM 0 H LYS A 42 4.246 9.947 1.208 1.00 10.00 H new ATOM 0 HA LYS A 42 4.759 8.054 3.260 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.346 10.688 2.979 1.00 10.00 H new ATOM 0 HB3 LYS A 42 2.996 9.722 4.399 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.572 9.611 4.726 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.647 10.914 3.556 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.178 12.313 4.949 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.938 10.995 6.080 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.557 11.025 6.297 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.438 12.620 5.582 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.419 12.733 7.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.934 13.278 7.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.049 11.732 8.060 1.00 10.00 H new ATOM 437 N LEU A 43 1.740 8.243 1.960 1.00 10.00 N ATOM 438 CA LEU A 43 0.438 7.600 1.837 1.00 10.00 C ATOM 439 C LEU A 43 0.579 6.141 1.413 1.00 10.00 C ATOM 440 O LEU A 43 -0.064 5.255 1.979 1.00 10.00 O ATOM 441 CB LEU A 43 -0.412 8.371 0.822 1.00 10.00 C ATOM 442 CG LEU A 43 -1.898 8.029 0.821 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.726 9.300 0.695 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.220 7.052 -0.302 1.00 10.00 C ATOM 0 H LEU A 43 1.872 9.034 1.330 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.052 7.613 2.810 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.302 9.438 1.017 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.013 8.186 -0.175 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.151 7.547 1.766 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.786 9.045 0.695 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.511 9.959 1.536 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.475 9.807 -0.237 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.285 6.819 -0.288 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.960 7.501 -1.261 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.646 6.136 -0.163 1.00 10.00 H new ATOM 456 N MET A 44 1.427 5.899 0.423 1.00 10.00 N ATOM 457 CA MET A 44 1.648 4.550 -0.081 1.00 10.00 C ATOM 458 C MET A 44 2.263 3.663 0.998 1.00 10.00 C ATOM 459 O MET A 44 1.812 2.539 1.224 1.00 10.00 O ATOM 460 CB MET A 44 2.560 4.571 -1.310 1.00 10.00 C ATOM 461 CG MET A 44 1.928 5.220 -2.531 1.00 10.00 C ATOM 462 SD MET A 44 2.852 4.901 -4.048 1.00 10.00 S ATOM 463 CE MET A 44 4.399 5.729 -3.691 1.00 10.00 C ATOM 0 H MET A 44 1.974 6.620 -0.048 1.00 10.00 H new ATOM 0 HA MET A 44 0.679 4.140 -0.367 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.478 5.104 -1.061 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.843 3.548 -1.559 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.909 4.851 -2.647 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.861 6.296 -2.371 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.055 5.665 -4.559 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.206 6.776 -3.459 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.879 5.251 -2.837 1.00 10.00 H new ATOM 473 N LYS A 45 3.279 4.187 1.675 1.00 10.00 N ATOM 474 CA LYS A 45 3.968 3.444 2.722 1.00 10.00 C ATOM 475 C LYS A 45 3.073 3.210 3.936 1.00 10.00 C ATOM 476 O LYS A 45 3.092 2.130 4.527 1.00 10.00 O ATOM 477 CB LYS A 45 5.234 4.187 3.148 1.00 10.00 C ATOM 478 CG LYS A 45 6.342 4.136 2.112 1.00 10.00 C ATOM 479 CD LYS A 45 7.683 4.517 2.715 1.00 10.00 C ATOM 480 CE LYS A 45 7.704 5.971 3.158 1.00 10.00 C ATOM 481 NZ LYS A 45 8.841 6.258 4.069 1.00 10.00 N ATOM 0 H LYS A 45 3.644 5.126 1.516 1.00 10.00 H new ATOM 0 HA LYS A 45 4.235 2.470 2.311 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.984 5.228 3.350 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.600 3.760 4.082 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.403 3.132 1.691 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.105 4.812 1.291 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.895 3.873 3.568 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.473 4.347 1.983 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.770 6.616 2.282 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.767 6.210 3.661 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.818 7.260 4.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.765 5.661 4.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.737 6.054 3.581 1.00 10.00 H new ATOM 495 N ALA A 46 2.291 4.220 4.303 1.00 10.00 N ATOM 496 CA ALA A 46 1.396 4.119 5.451 1.00 10.00 C ATOM 497 C ALA A 46 0.403 2.975 5.274 1.00 10.00 C ATOM 498 O ALA A 46 0.224 2.158 6.179 1.00 10.00 O ATOM 499 CB ALA A 46 0.666 5.433 5.676 1.00 10.00 C ATOM 0 H ALA A 46 2.259 5.119 3.822 1.00 10.00 H new ATOM 0 HA ALA A 46 2.001 3.905 6.332 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.003 5.338 6.536 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.391 6.225 5.862 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.079 5.679 4.791 1.00 10.00 H new ATOM 505 N TYR A 47 -0.233 2.910 4.109 1.00 10.00 N ATOM 506 CA TYR A 47 -1.196 1.851 3.834 1.00 10.00 C ATOM 507 C TYR A 47 -0.478 0.507 3.751 1.00 10.00 C ATOM 508 O TYR A 47 -1.014 -0.527 4.155 1.00 10.00 O ATOM 509 CB TYR A 47 -1.961 2.131 2.535 1.00 10.00 C ATOM 510 CG TYR A 47 -2.991 1.071 2.192 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.713 0.077 1.259 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.236 1.056 2.813 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.647 -0.893 0.950 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.176 0.089 2.506 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.875 -0.884 1.578 1.00 10.00 C ATOM 516 OH TYR A 47 -5.801 -1.856 1.275 1.00 10.00 O ATOM 0 H TYR A 47 -0.100 3.573 3.345 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.919 1.818 4.649 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.460 3.096 2.619 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.248 2.211 1.714 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.751 0.063 0.768 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.472 1.812 3.547 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.417 -1.655 0.220 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.141 0.097 2.991 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.619 -1.701 1.791 1.00 10.00 H new ATOM 526 N CYS A 48 0.749 0.536 3.245 1.00 10.00 N ATOM 527 CA CYS A 48 1.558 -0.664 3.109 1.00 10.00 C ATOM 528 C CYS A 48 1.825 -1.294 4.474 1.00 10.00 C ATOM 529 O CYS A 48 1.624 -2.494 4.665 1.00 10.00 O ATOM 530 CB CYS A 48 2.878 -0.320 2.422 1.00 10.00 C ATOM 531 SG CYS A 48 3.726 -1.736 1.698 1.00 10.00 S ATOM 0 H CYS A 48 1.207 1.387 2.920 1.00 10.00 H new ATOM 0 HA CYS A 48 1.012 -1.386 2.501 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.687 0.414 1.639 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.540 0.153 3.148 1.00 10.00 H new ATOM 0 HG CYS A 48 4.155 -2.516 2.645 1.00 10.00 H new ATOM 537 N GLU A 49 2.259 -0.477 5.426 1.00 10.00 N ATOM 538 CA GLU A 49 2.546 -0.960 6.771 1.00 10.00 C ATOM 539 C GLU A 49 1.249 -1.320 7.491 1.00 10.00 C ATOM 540 O GLU A 49 1.223 -2.208 8.343 1.00 10.00 O ATOM 541 CB GLU A 49 3.320 0.097 7.562 1.00 10.00 C ATOM 542 CG GLU A 49 4.598 0.557 6.876 1.00 10.00 C ATOM 543 CD GLU A 49 5.724 -0.450 6.983 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.626 -0.245 7.822 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.719 -1.443 6.227 1.00 10.00 O ATOM 0 H GLU A 49 2.420 0.521 5.292 1.00 10.00 H new ATOM 0 HA GLU A 49 3.162 -1.856 6.696 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.675 0.960 7.726 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.569 -0.306 8.544 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.389 0.750 5.824 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.920 1.501 7.315 1.00 10.00 H new ATOM 552 N ARG A 50 0.175 -0.624 7.123 1.00 10.00 N ATOM 553 CA ARG A 50 -1.145 -0.852 7.706 1.00 10.00 C ATOM 554 C ARG A 50 -1.596 -2.294 7.478 1.00 10.00 C ATOM 555 O ARG A 50 -2.142 -2.935 8.373 1.00 10.00 O ATOM 556 CB ARG A 50 -2.158 0.109 7.077 1.00 10.00 C ATOM 557 CG ARG A 50 -3.463 0.246 7.846 1.00 10.00 C ATOM 558 CD ARG A 50 -3.414 1.398 8.835 1.00 10.00 C ATOM 559 NE ARG A 50 -2.801 1.006 10.098 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.462 0.404 11.083 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.757 0.121 10.954 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.824 0.087 12.200 1.00 10.00 N ATOM 0 H ARG A 50 0.195 0.111 6.416 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.086 -0.673 8.780 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.699 1.093 6.989 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.381 -0.230 6.066 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.283 0.402 7.146 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.671 -0.682 8.378 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.853 2.225 8.401 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.425 1.761 9.020 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.810 1.204 10.234 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.249 0.366 10.095 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.256 -0.341 11.714 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.833 0.305 12.300 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.324 -0.375 12.960 1.00 10.00 H new ATOM 576 N GLN A 51 -1.353 -2.792 6.271 1.00 10.00 N ATOM 577 CA GLN A 51 -1.739 -4.152 5.905 1.00 10.00 C ATOM 578 C GLN A 51 -0.606 -5.139 6.155 1.00 10.00 C ATOM 579 O GLN A 51 -0.825 -6.351 6.216 1.00 10.00 O ATOM 580 CB GLN A 51 -2.159 -4.194 4.435 1.00 10.00 C ATOM 581 CG GLN A 51 -3.293 -3.238 4.109 1.00 10.00 C ATOM 582 CD GLN A 51 -4.628 -3.711 4.651 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.942 -3.515 5.827 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.431 -4.319 3.793 1.00 10.00 N ATOM 0 H GLN A 51 -0.889 -2.273 5.526 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.581 -4.446 6.532 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.298 -3.953 3.811 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.463 -5.209 4.180 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.065 -2.255 4.522 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.365 -3.121 3.028 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.133 -4.461 2.828 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.349 -4.645 4.096 1.00 10.00 H new ATOM 593 N GLY A 52 0.603 -4.618 6.304 1.00 10.00 N ATOM 594 CA GLY A 52 1.750 -5.470 6.537 1.00 10.00 C ATOM 595 C GLY A 52 2.225 -6.132 5.263 1.00 10.00 C ATOM 596 O GLY A 52 2.263 -7.360 5.163 1.00 10.00 O ATOM 0 H GLY A 52 0.810 -3.620 6.268 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.561 -4.880 6.964 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.492 -6.235 7.270 1.00 10.00 H new ATOM 600 N LEU A 53 2.576 -5.317 4.282 1.00 10.00 N ATOM 601 CA LEU A 53 3.040 -5.820 3.000 1.00 10.00 C ATOM 602 C LEU A 53 4.235 -5.015 2.509 1.00 10.00 C ATOM 603 O LEU A 53 4.733 -4.132 3.209 1.00 10.00 O ATOM 604 CB LEU A 53 1.913 -5.758 1.965 1.00 10.00 C ATOM 605 CG LEU A 53 0.794 -6.782 2.154 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.430 -6.392 1.341 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.270 -8.173 1.762 1.00 10.00 C ATOM 0 H LEU A 53 2.548 -4.300 4.350 1.00 10.00 H new ATOM 0 HA LEU A 53 3.346 -6.858 3.132 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.477 -4.759 1.987 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.345 -5.895 0.974 1.00 10.00 H new ATOM 0 HG LEU A 53 0.518 -6.796 3.208 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.216 -7.133 1.488 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.787 -5.415 1.667 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.166 -6.348 0.284 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.460 -8.888 1.903 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.574 -8.172 0.715 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.117 -8.457 2.386 1.00 10.00 H new ATOM 619 N SER A 54 4.686 -5.327 1.305 1.00 10.00 N ATOM 620 CA SER A 54 5.811 -4.637 0.699 1.00 10.00 C ATOM 621 C SER A 54 5.307 -3.675 -0.370 1.00 10.00 C ATOM 622 O SER A 54 4.403 -4.011 -1.141 1.00 10.00 O ATOM 623 CB SER A 54 6.789 -5.647 0.085 1.00 10.00 C ATOM 624 OG SER A 54 7.794 -4.998 -0.675 1.00 10.00 O ATOM 0 H SER A 54 4.284 -6.062 0.723 1.00 10.00 H new ATOM 0 HA SER A 54 6.337 -4.072 1.469 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.253 -6.235 0.877 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.243 -6.344 -0.551 1.00 10.00 H new ATOM 0 HG SER A 54 8.403 -5.667 -1.052 1.00 10.00 H new ATOM 630 N MET A 55 5.892 -2.481 -0.425 1.00 10.00 N ATOM 631 CA MET A 55 5.485 -1.479 -1.405 1.00 10.00 C ATOM 632 C MET A 55 5.935 -1.895 -2.801 1.00 10.00 C ATOM 633 O MET A 55 5.547 -1.296 -3.802 1.00 10.00 O ATOM 634 CB MET A 55 6.050 -0.101 -1.048 1.00 10.00 C ATOM 635 CG MET A 55 5.166 1.048 -1.518 1.00 10.00 C ATOM 636 SD MET A 55 5.840 2.670 -1.103 1.00 10.00 S ATOM 637 CE MET A 55 7.219 2.756 -2.239 1.00 10.00 C ATOM 0 H MET A 55 6.646 -2.185 0.195 1.00 10.00 H new ATOM 0 HA MET A 55 4.397 -1.410 -1.392 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.176 -0.036 0.033 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.040 0.005 -1.492 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.035 0.980 -2.598 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.178 0.946 -1.070 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.586 3.781 -2.288 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.018 2.100 -1.892 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.894 2.439 -3.230 1.00 10.00 H new ATOM 647 N ARG A 56 6.757 -2.934 -2.855 1.00 10.00 N ATOM 648 CA ARG A 56 7.243 -3.465 -4.115 1.00 10.00 C ATOM 649 C ARG A 56 6.219 -4.450 -4.676 1.00 10.00 C ATOM 650 O ARG A 56 6.251 -4.800 -5.856 1.00 10.00 O ATOM 651 CB ARG A 56 8.596 -4.155 -3.901 1.00 10.00 C ATOM 652 CG ARG A 56 9.188 -4.768 -5.158 1.00 10.00 C ATOM 653 CD ARG A 56 10.544 -5.391 -4.884 1.00 10.00 C ATOM 654 NE ARG A 56 10.978 -6.256 -5.977 1.00 10.00 N ATOM 655 CZ ARG A 56 12.227 -6.321 -6.432 1.00 10.00 C ATOM 656 NH1 ARG A 56 13.181 -5.578 -5.886 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.521 -7.136 -7.434 1.00 10.00 N ATOM 0 H ARG A 56 7.102 -3.427 -2.032 1.00 10.00 H new ATOM 0 HA ARG A 56 7.380 -2.653 -4.829 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.302 -3.429 -3.497 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.478 -4.936 -3.150 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.510 -5.526 -5.549 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.287 -4.002 -5.927 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.281 -4.603 -4.731 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.498 -5.968 -3.961 1.00 10.00 H new ATOM 0 HE ARG A 56 10.278 -6.850 -6.421 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.959 -4.952 -5.112 1.00 10.00 H new ATOM 0 HH12 ARG A 56 14.136 -5.633 -6.240 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.791 -7.711 -7.854 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.477 -7.188 -7.785 1.00 10.00 H new ATOM 671 N GLN A 57 5.283 -4.849 -3.824 1.00 10.00 N ATOM 672 CA GLN A 57 4.245 -5.802 -4.203 1.00 10.00 C ATOM 673 C GLN A 57 2.933 -5.103 -4.577 1.00 10.00 C ATOM 674 O GLN A 57 2.263 -5.498 -5.529 1.00 10.00 O ATOM 675 CB GLN A 57 4.000 -6.786 -3.056 1.00 10.00 C ATOM 676 CG GLN A 57 3.045 -7.914 -3.406 1.00 10.00 C ATOM 677 CD GLN A 57 2.979 -8.979 -2.329 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.966 -9.247 -1.648 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.815 -9.583 -2.163 1.00 10.00 N ATOM 0 H GLN A 57 5.221 -4.525 -2.859 1.00 10.00 H new ATOM 0 HA GLN A 57 4.596 -6.339 -5.084 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.954 -7.213 -2.747 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.603 -6.240 -2.200 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.048 -7.504 -3.567 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.357 -8.371 -4.345 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.021 -9.330 -2.751 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.711 -10.302 -1.447 1.00 10.00 H new ATOM 688 N ILE A 58 2.567 -4.068 -3.833 1.00 10.00 N ATOM 689 CA ILE A 58 1.325 -3.344 -4.102 1.00 10.00 C ATOM 690 C ILE A 58 1.556 -2.146 -5.017 1.00 10.00 C ATOM 691 O ILE A 58 2.673 -1.638 -5.123 1.00 10.00 O ATOM 692 CB ILE A 58 0.643 -2.871 -2.800 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.620 -2.072 -1.933 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.094 -4.066 -2.033 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.978 -1.466 -0.704 1.00 10.00 C ATOM 0 H ILE A 58 3.105 -3.710 -3.044 1.00 10.00 H new ATOM 0 HA ILE A 58 0.665 -4.049 -4.607 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.187 -2.214 -3.062 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.436 -2.725 -1.623 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.060 -1.276 -2.534 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.385 -3.721 -1.117 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.637 -4.590 -2.649 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.910 -4.744 -1.783 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.728 -0.914 -0.136 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.181 -0.788 -1.007 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.563 -2.259 -0.082 1.00 10.00 H new ATOM 707 N ARG A 59 0.498 -1.715 -5.693 1.00 10.00 N ATOM 708 CA ARG A 59 0.566 -0.579 -6.609 1.00 10.00 C ATOM 709 C ARG A 59 -0.580 0.387 -6.335 1.00 10.00 C ATOM 710 O ARG A 59 -1.681 -0.034 -5.987 1.00 10.00 O ATOM 711 CB ARG A 59 0.490 -1.049 -8.066 1.00 10.00 C ATOM 712 CG ARG A 59 1.655 -1.914 -8.505 1.00 10.00 C ATOM 713 CD ARG A 59 2.966 -1.148 -8.469 1.00 10.00 C ATOM 714 NE ARG A 59 4.082 -1.982 -8.903 1.00 10.00 N ATOM 715 CZ ARG A 59 4.792 -2.755 -8.088 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.541 -2.763 -6.783 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.763 -3.521 -8.572 1.00 10.00 N ATOM 0 H ARG A 59 -0.427 -2.139 -5.624 1.00 10.00 H new ATOM 0 HA ARG A 59 1.518 -0.074 -6.448 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.435 -1.607 -8.207 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.437 -0.175 -8.715 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.725 -2.787 -7.856 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.475 -2.281 -9.515 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.894 -0.270 -9.112 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.151 -0.788 -7.457 1.00 10.00 H new ATOM 0 HE ARG A 59 4.332 -1.971 -9.892 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.800 -2.174 -6.402 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.089 -3.358 -6.162 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.965 -3.517 -9.572 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.306 -4.113 -7.944 1.00 10.00 H new ATOM 731 N PHE A 60 -0.319 1.675 -6.498 1.00 10.00 N ATOM 732 CA PHE A 60 -1.336 2.693 -6.273 1.00 10.00 C ATOM 733 C PHE A 60 -1.627 3.440 -7.568 1.00 10.00 C ATOM 734 O PHE A 60 -0.708 3.786 -8.317 1.00 10.00 O ATOM 735 CB PHE A 60 -0.886 3.682 -5.197 1.00 10.00 C ATOM 736 CG PHE A 60 -0.869 3.109 -3.806 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.123 2.221 -3.417 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.845 3.461 -2.885 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.143 1.698 -2.139 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.830 2.940 -1.607 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.836 2.058 -1.233 1.00 10.00 C ATOM 0 H PHE A 60 0.589 2.041 -6.785 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.244 2.196 -5.932 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.113 4.041 -5.443 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.548 4.548 -5.214 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.889 1.935 -4.122 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.625 4.151 -3.171 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.922 1.009 -1.848 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.596 3.222 -0.900 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.824 1.650 -0.233 1.00 10.00 H new ATOM 751 N ARG A 61 -2.901 3.676 -7.839 1.00 10.00 N ATOM 752 CA ARG A 61 -3.306 4.380 -9.044 1.00 10.00 C ATOM 753 C ARG A 61 -4.224 5.548 -8.719 1.00 10.00 C ATOM 754 O ARG A 61 -5.068 5.462 -7.829 1.00 10.00 O ATOM 755 CB ARG A 61 -4.015 3.435 -10.013 1.00 10.00 C ATOM 756 CG ARG A 61 -3.084 2.478 -10.727 1.00 10.00 C ATOM 757 CD ARG A 61 -3.798 1.760 -11.856 1.00 10.00 C ATOM 758 NE ARG A 61 -2.980 0.694 -12.426 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.510 0.697 -13.672 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.768 1.712 -14.487 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.778 -0.322 -14.101 1.00 10.00 N ATOM 0 H ARG A 61 -3.674 3.389 -7.238 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.400 4.764 -9.513 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.761 2.860 -9.464 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.551 4.026 -10.755 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.229 3.026 -11.124 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.694 1.748 -10.017 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.734 1.341 -11.486 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.056 2.476 -12.636 1.00 10.00 H new ATOM 0 HE ARG A 61 -2.754 -0.104 -11.832 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.330 2.498 -14.161 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.404 1.706 -15.440 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.577 -1.104 -13.477 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.416 -0.324 -15.055 1.00 10.00 H new ATOM 775 N PHE A 62 -4.041 6.635 -9.448 1.00 10.00 N ATOM 776 CA PHE A 62 -4.857 7.824 -9.279 1.00 10.00 C ATOM 777 C PHE A 62 -5.596 8.110 -10.578 1.00 10.00 C ATOM 778 O PHE A 62 -4.974 8.500 -11.572 1.00 10.00 O ATOM 779 CB PHE A 62 -3.992 9.027 -8.875 1.00 10.00 C ATOM 780 CG PHE A 62 -4.669 10.357 -9.076 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.806 10.688 -8.358 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.171 11.269 -9.992 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.433 11.904 -8.550 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.792 12.487 -10.186 1.00 10.00 C ATOM 785 CZ PHE A 62 -5.926 12.804 -9.464 1.00 10.00 C ATOM 0 H PHE A 62 -3.326 6.718 -10.171 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.579 7.652 -8.481 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.713 8.926 -7.826 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.068 9.009 -9.453 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.207 9.988 -7.640 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.286 11.024 -10.561 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.320 12.150 -7.985 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.392 13.191 -10.901 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.415 13.755 -9.615 1.00 10.00 H new ATOM 795 N ASP A 63 -6.906 7.852 -10.576 1.00 10.00 N ATOM 796 CA ASP A 63 -7.770 8.069 -11.743 1.00 10.00 C ATOM 797 C ASP A 63 -7.523 7.021 -12.830 1.00 10.00 C ATOM 798 O ASP A 63 -8.451 6.586 -13.511 1.00 10.00 O ATOM 799 CB ASP A 63 -7.584 9.478 -12.316 1.00 10.00 C ATOM 800 CG ASP A 63 -8.502 9.745 -13.488 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.710 9.972 -13.261 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.024 9.731 -14.641 1.00 10.00 O ATOM 0 H ASP A 63 -7.401 7.485 -9.763 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.800 7.967 -11.401 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.773 10.214 -11.534 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.549 9.606 -12.631 1.00 10.00 H new ATOM 807 N GLY A 64 -6.270 6.621 -12.985 1.00 10.00 N ATOM 808 CA GLY A 64 -5.905 5.629 -13.972 1.00 10.00 C ATOM 809 C GLY A 64 -4.404 5.461 -14.042 1.00 10.00 C ATOM 810 O GLY A 64 -3.895 4.341 -14.147 1.00 10.00 O ATOM 0 H GLY A 64 -5.488 6.974 -12.434 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.370 4.675 -13.723 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.287 5.925 -14.949 1.00 10.00 H new ATOM 814 N GLN A 65 -3.699 6.580 -13.957 1.00 10.00 N ATOM 815 CA GLN A 65 -2.243 6.575 -14.009 1.00 10.00 C ATOM 816 C GLN A 65 -1.663 6.148 -12.662 1.00 10.00 C ATOM 817 O GLN A 65 -2.254 6.415 -11.611 1.00 10.00 O ATOM 818 CB GLN A 65 -1.714 7.963 -14.384 1.00 10.00 C ATOM 819 CG GLN A 65 -2.185 8.469 -15.739 1.00 10.00 C ATOM 820 CD GLN A 65 -1.957 7.469 -16.859 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.861 6.721 -17.230 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.750 7.443 -17.401 1.00 10.00 N ATOM 0 H GLN A 65 -4.113 7.506 -13.851 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.932 5.861 -14.772 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.020 8.675 -13.617 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.624 7.937 -14.378 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.247 8.707 -15.682 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.663 9.396 -15.976 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.027 8.079 -17.066 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.543 6.787 -18.154 1.00 10.00 H new ATOM 831 N PRO A 66 -0.509 5.464 -12.677 1.00 10.00 N ATOM 832 CA PRO A 66 0.156 5.006 -11.451 1.00 10.00 C ATOM 833 C PRO A 66 0.780 6.156 -10.662 1.00 10.00 C ATOM 834 O PRO A 66 1.198 7.165 -11.239 1.00 10.00 O ATOM 835 CB PRO A 66 1.247 4.064 -11.973 1.00 10.00 C ATOM 836 CG PRO A 66 1.539 4.550 -13.349 1.00 10.00 C ATOM 837 CD PRO A 66 0.237 5.074 -13.890 1.00 10.00 C ATOM 0 HA PRO A 66 -0.543 4.534 -10.760 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.136 4.100 -11.343 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.905 3.029 -11.983 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.298 5.332 -13.333 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.925 3.744 -13.974 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.392 5.923 -14.556 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.295 4.313 -14.461 1.00 10.00 H new ATOM 845 N ILE A 67 0.835 6.003 -9.347 1.00 10.00 N ATOM 846 CA ILE A 67 1.408 7.022 -8.481 1.00 10.00 C ATOM 847 C ILE A 67 2.883 6.731 -8.217 1.00 10.00 C ATOM 848 O ILE A 67 3.272 5.575 -8.012 1.00 10.00 O ATOM 849 CB ILE A 67 0.647 7.115 -7.137 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.844 7.359 -7.389 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.230 8.219 -6.262 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.667 7.464 -6.125 1.00 10.00 C ATOM 0 H ILE A 67 0.488 5.179 -8.855 1.00 10.00 H new ATOM 0 HA ILE A 67 1.315 7.979 -8.995 1.00 10.00 H new ATOM 0 HB ILE A 67 0.761 6.168 -6.609 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.960 8.277 -7.964 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.237 6.547 -8.001 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.680 8.267 -5.322 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.279 8.006 -6.058 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.148 9.175 -6.779 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.712 7.637 -6.384 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.582 6.537 -5.558 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.301 8.294 -5.521 1.00 10.00 H new ATOM 864 N ASN A 68 3.699 7.777 -8.239 1.00 10.00 N ATOM 865 CA ASN A 68 5.130 7.647 -8.005 1.00 10.00 C ATOM 866 C ASN A 68 5.476 8.138 -6.606 1.00 10.00 C ATOM 867 O ASN A 68 4.629 8.691 -5.902 1.00 10.00 O ATOM 868 CB ASN A 68 5.927 8.452 -9.042 1.00 10.00 C ATOM 869 CG ASN A 68 5.476 8.203 -10.469 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.020 7.343 -11.165 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.483 8.955 -10.911 1.00 10.00 N ATOM 0 H ASN A 68 3.390 8.732 -8.418 1.00 10.00 H new ATOM 0 HA ASN A 68 5.396 6.594 -8.098 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.832 9.515 -8.818 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.984 8.201 -8.953 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.137 8.835 -11.863 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.062 9.655 -10.300 1.00 10.00 H new ATOM 878 N GLU A 69 6.729 7.950 -6.208 1.00 10.00 N ATOM 879 CA GLU A 69 7.188 8.385 -4.893 1.00 10.00 C ATOM 880 C GLU A 69 7.426 9.893 -4.880 1.00 10.00 C ATOM 881 O GLU A 69 7.654 10.490 -3.831 1.00 10.00 O ATOM 882 CB GLU A 69 8.485 7.668 -4.506 1.00 10.00 C ATOM 883 CG GLU A 69 8.373 6.151 -4.467 1.00 10.00 C ATOM 884 CD GLU A 69 9.698 5.480 -4.156 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.787 4.768 -3.133 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.660 5.666 -4.933 1.00 10.00 O ATOM 0 H GLU A 69 7.446 7.499 -6.777 1.00 10.00 H new ATOM 0 HA GLU A 69 6.411 8.135 -4.170 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.265 7.945 -5.215 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.804 8.023 -3.526 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.638 5.863 -3.715 1.00 10.00 H new ATOM 0 HG3 GLU A 69 8.004 5.792 -5.428 1.00 10.00 H new ATOM 893 N THR A 70 7.371 10.499 -6.056 1.00 10.00 N ATOM 894 CA THR A 70 7.591 11.928 -6.198 1.00 10.00 C ATOM 895 C THR A 70 6.304 12.645 -6.600 1.00 10.00 C ATOM 896 O THR A 70 6.328 13.594 -7.387 1.00 10.00 O ATOM 897 CB THR A 70 8.677 12.199 -7.252 1.00 10.00 C ATOM 898 OG1 THR A 70 9.472 11.018 -7.420 1.00 10.00 O ATOM 899 CG2 THR A 70 9.566 13.362 -6.839 1.00 10.00 C ATOM 0 H THR A 70 7.174 10.017 -6.933 1.00 10.00 H new ATOM 0 HA THR A 70 7.918 12.312 -5.232 1.00 10.00 H new ATOM 0 HB THR A 70 8.193 12.463 -8.192 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.166 11.183 -8.092 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.324 13.530 -7.604 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.960 14.261 -6.725 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.052 13.130 -5.891 1.00 10.00 H new ATOM 907 N ASP A 71 5.184 12.187 -6.063 1.00 10.00 N ATOM 908 CA ASP A 71 3.893 12.786 -6.374 1.00 10.00 C ATOM 909 C ASP A 71 3.264 13.390 -5.129 1.00 10.00 C ATOM 910 O ASP A 71 3.542 12.958 -4.008 1.00 10.00 O ATOM 911 CB ASP A 71 2.949 11.750 -6.985 1.00 10.00 C ATOM 912 CG ASP A 71 3.174 11.560 -8.473 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.220 12.569 -9.208 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.306 10.402 -8.915 1.00 10.00 O ATOM 0 H ASP A 71 5.141 11.404 -5.411 1.00 10.00 H new ATOM 0 HA ASP A 71 4.060 13.581 -7.101 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.085 10.796 -6.476 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.918 12.058 -6.814 1.00 10.00 H new ATOM 919 N THR A 72 2.422 14.388 -5.335 1.00 10.00 N ATOM 920 CA THR A 72 1.746 15.069 -4.244 1.00 10.00 C ATOM 921 C THR A 72 0.296 15.357 -4.626 1.00 10.00 C ATOM 922 O THR A 72 -0.018 15.483 -5.813 1.00 10.00 O ATOM 923 CB THR A 72 2.459 16.393 -3.899 1.00 10.00 C ATOM 924 OG1 THR A 72 3.247 16.829 -5.014 1.00 10.00 O ATOM 925 CG2 THR A 72 3.350 16.235 -2.677 1.00 10.00 C ATOM 0 H THR A 72 2.188 14.748 -6.260 1.00 10.00 H new ATOM 0 HA THR A 72 1.771 14.419 -3.370 1.00 10.00 H new ATOM 0 HB THR A 72 1.696 17.138 -3.675 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.695 17.671 -4.789 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.839 17.184 -2.458 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.745 15.933 -1.822 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.106 15.474 -2.874 1.00 10.00 H new ATOM 933 N PRO A 73 -0.611 15.460 -3.636 1.00 10.00 N ATOM 934 CA PRO A 73 -2.031 15.736 -3.892 1.00 10.00 C ATOM 935 C PRO A 73 -2.231 17.017 -4.699 1.00 10.00 C ATOM 936 O PRO A 73 -3.012 17.050 -5.650 1.00 10.00 O ATOM 937 CB PRO A 73 -2.629 15.892 -2.491 1.00 10.00 C ATOM 938 CG PRO A 73 -1.699 15.166 -1.585 1.00 10.00 C ATOM 939 CD PRO A 73 -0.331 15.306 -2.194 1.00 10.00 C ATOM 0 HA PRO A 73 -2.498 14.946 -4.480 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.710 16.943 -2.212 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.633 15.472 -2.443 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.724 15.589 -0.581 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.981 14.117 -1.496 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.200 16.169 -1.794 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.288 14.431 -1.996 1.00 10.00 H new ATOM 947 N ALA A 74 -1.508 18.065 -4.321 1.00 10.00 N ATOM 948 CA ALA A 74 -1.603 19.350 -5.005 1.00 10.00 C ATOM 949 C ALA A 74 -1.060 19.267 -6.428 1.00 10.00 C ATOM 950 O ALA A 74 -1.651 19.815 -7.357 1.00 10.00 O ATOM 951 CB ALA A 74 -0.860 20.420 -4.218 1.00 10.00 C ATOM 0 H ALA A 74 -0.848 18.050 -3.543 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.657 19.619 -5.067 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.938 21.375 -4.738 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.299 20.511 -3.224 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.190 20.141 -4.127 1.00 10.00 H new ATOM 957 N GLN A 75 0.054 18.562 -6.596 1.00 10.00 N ATOM 958 CA GLN A 75 0.680 18.418 -7.908 1.00 10.00 C ATOM 959 C GLN A 75 -0.219 17.636 -8.863 1.00 10.00 C ATOM 960 O GLN A 75 -0.231 17.888 -10.068 1.00 10.00 O ATOM 961 CB GLN A 75 2.034 17.719 -7.772 1.00 10.00 C ATOM 962 CG GLN A 75 2.909 17.822 -9.013 1.00 10.00 C ATOM 963 CD GLN A 75 3.488 19.209 -9.212 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.796 19.915 -8.247 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.635 19.611 -10.465 1.00 10.00 N ATOM 0 H GLN A 75 0.543 18.081 -5.841 1.00 10.00 H new ATOM 0 HA GLN A 75 0.831 19.415 -8.322 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.570 18.148 -6.925 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.867 16.666 -7.544 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.723 17.101 -8.938 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.321 17.550 -9.890 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.368 18.995 -11.233 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.016 20.536 -10.662 1.00 10.00 H new ATOM 974 N LEU A 76 -0.971 16.690 -8.321 1.00 10.00 N ATOM 975 CA LEU A 76 -1.875 15.879 -9.128 1.00 10.00 C ATOM 976 C LEU A 76 -3.247 16.538 -9.239 1.00 10.00 C ATOM 977 O LEU A 76 -4.143 16.006 -9.897 1.00 10.00 O ATOM 978 CB LEU A 76 -2.014 14.477 -8.536 1.00 10.00 C ATOM 979 CG LEU A 76 -0.777 13.585 -8.667 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.050 12.213 -8.079 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.354 13.458 -10.124 1.00 10.00 C ATOM 0 H LEU A 76 -0.974 16.464 -7.326 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.449 15.798 -10.128 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.264 14.570 -7.479 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.854 13.978 -9.019 1.00 10.00 H new ATOM 0 HG LEU A 76 0.038 14.049 -8.112 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.161 11.590 -8.180 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.305 12.313 -7.024 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.881 11.748 -8.610 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.527 12.820 -10.193 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.167 13.018 -10.702 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.119 14.445 -10.522 1.00 10.00 H new ATOM 993 N GLU A 77 -3.389 17.700 -8.602 1.00 10.00 N ATOM 994 CA GLU A 77 -4.643 18.455 -8.605 1.00 10.00 C ATOM 995 C GLU A 77 -5.786 17.638 -8.009 1.00 10.00 C ATOM 996 O GLU A 77 -6.925 17.696 -8.478 1.00 10.00 O ATOM 997 CB GLU A 77 -4.998 18.922 -10.022 1.00 10.00 C ATOM 998 CG GLU A 77 -4.125 20.064 -10.521 1.00 10.00 C ATOM 999 CD GLU A 77 -4.369 21.369 -9.784 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.121 21.372 -8.781 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -3.805 22.401 -10.208 1.00 10.00 O ATOM 0 H GLU A 77 -2.640 18.144 -8.070 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.497 19.335 -7.979 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.907 18.079 -10.707 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.041 19.237 -10.041 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.077 19.785 -10.415 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.308 20.215 -11.585 1.00 10.00 H new ATOM 1008 N MET A 78 -5.472 16.893 -6.961 1.00 10.00 N ATOM 1009 CA MET A 78 -6.456 16.059 -6.287 1.00 10.00 C ATOM 1010 C MET A 78 -7.329 16.910 -5.381 1.00 10.00 C ATOM 1011 O MET A 78 -6.928 18.000 -4.966 1.00 10.00 O ATOM 1012 CB MET A 78 -5.761 14.970 -5.468 1.00 10.00 C ATOM 1013 CG MET A 78 -4.832 14.099 -6.291 1.00 10.00 C ATOM 1014 SD MET A 78 -3.827 13.002 -5.277 1.00 10.00 S ATOM 1015 CE MET A 78 -5.065 11.842 -4.705 1.00 10.00 C ATOM 0 H MET A 78 -4.537 16.849 -6.556 1.00 10.00 H new ATOM 0 HA MET A 78 -7.083 15.584 -7.041 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.192 15.437 -4.664 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.517 14.340 -4.999 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.422 13.504 -6.988 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.179 14.735 -6.888 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.662 10.830 -4.746 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.341 12.081 -3.678 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.947 11.907 -5.342 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.519 16.421 -5.080 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.436 17.151 -4.224 1.00 10.00 C ATOM 1027 C GLU A 79 -9.923 16.284 -3.076 1.00 10.00 C ATOM 1028 O GLU A 79 -9.582 15.103 -2.985 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.625 17.681 -5.028 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.496 19.152 -5.391 1.00 10.00 C ATOM 1031 CD GLU A 79 -9.973 19.993 -4.241 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.500 19.875 -3.112 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.033 20.783 -4.456 1.00 10.00 O ATOM 0 H GLU A 79 -8.872 15.524 -5.415 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.893 17.998 -3.805 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.727 17.096 -5.942 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.539 17.535 -4.452 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.826 19.254 -6.245 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.469 19.533 -5.701 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.703 16.887 -2.192 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.238 16.182 -1.036 1.00 10.00 C ATOM 1042 C ASP A 80 -12.191 15.078 -1.475 1.00 10.00 C ATOM 1043 O ASP A 80 -13.043 15.296 -2.339 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.958 17.155 -0.102 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.250 16.549 1.256 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.325 16.491 2.097 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.408 16.149 1.498 1.00 10.00 O ATOM 0 H ASP A 80 -10.981 17.867 -2.253 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.405 15.730 -0.498 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.348 18.049 0.027 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.893 17.471 -0.564 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.014 13.900 -0.879 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.822 12.713 -1.162 1.00 10.00 C ATOM 1054 C GLU A 81 -12.369 12.004 -2.439 1.00 10.00 C ATOM 1055 O GLU A 81 -13.092 11.159 -2.971 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.320 13.036 -1.222 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.940 13.280 0.145 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.448 13.156 0.126 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.135 14.110 0.547 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.955 12.097 -0.299 1.00 10.00 O ATOM 0 H GLU A 81 -11.294 13.740 -0.175 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.665 12.029 -0.328 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.469 13.919 -1.843 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.843 12.212 -1.708 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.529 12.567 0.860 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.665 14.275 0.493 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.172 12.340 -2.920 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.621 11.700 -4.116 1.00 10.00 C ATOM 1069 C ASP A 82 -10.359 10.227 -3.814 1.00 10.00 C ATOM 1070 O ASP A 82 -9.962 9.885 -2.699 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.321 12.380 -4.552 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.196 12.505 -6.059 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.523 11.531 -6.776 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -8.765 13.578 -6.533 1.00 10.00 O ATOM 0 H ASP A 82 -10.568 13.048 -2.503 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.340 11.793 -4.930 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.268 13.373 -4.105 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.473 11.812 -4.168 1.00 10.00 H new ATOM 1079 N THR A 83 -10.568 9.360 -4.791 1.00 10.00 N ATOM 1080 CA THR A 83 -10.382 7.933 -4.574 1.00 10.00 C ATOM 1081 C THR A 83 -9.098 7.401 -5.214 1.00 10.00 C ATOM 1082 O THR A 83 -8.817 7.650 -6.388 1.00 10.00 O ATOM 1083 CB THR A 83 -11.589 7.136 -5.105 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.807 7.794 -4.727 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.590 5.717 -4.555 1.00 10.00 C ATOM 0 H THR A 83 -10.864 9.615 -5.733 1.00 10.00 H new ATOM 0 HA THR A 83 -10.297 7.796 -3.496 1.00 10.00 H new ATOM 0 HB THR A 83 -11.515 7.087 -6.191 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.573 7.286 -5.068 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.452 5.176 -4.945 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.675 5.209 -4.858 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.644 5.749 -3.467 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.320 6.682 -4.416 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.079 6.074 -4.871 1.00 10.00 C ATOM 1095 C ILE A 84 -7.251 4.559 -4.895 1.00 10.00 C ATOM 1096 O ILE A 84 -7.610 3.953 -3.883 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.893 6.446 -3.953 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.708 7.965 -3.901 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.613 5.768 -4.426 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.654 8.416 -2.911 1.00 10.00 C ATOM 0 H ILE A 84 -8.533 6.504 -3.434 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.857 6.449 -5.870 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.116 6.092 -2.947 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.438 8.324 -4.894 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.660 8.429 -3.642 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.790 6.043 -3.766 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.746 4.686 -4.408 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.386 6.089 -5.443 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.579 9.503 -2.930 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.932 8.089 -1.909 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.692 7.981 -3.181 1.00 10.00 H new ATOM 1112 N ASP A 85 -7.003 3.955 -6.046 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.162 2.512 -6.202 1.00 10.00 C ATOM 1114 C ASP A 85 -5.856 1.778 -5.939 1.00 10.00 C ATOM 1115 O ASP A 85 -4.802 2.153 -6.459 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.667 2.182 -7.609 1.00 10.00 C ATOM 1117 CG ASP A 85 -9.133 2.511 -7.797 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.979 1.607 -7.623 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.449 3.677 -8.122 1.00 10.00 O ATOM 0 H ASP A 85 -6.691 4.439 -6.888 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.895 2.179 -5.467 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.078 2.735 -8.341 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.509 1.122 -7.808 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.929 0.735 -5.122 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.757 -0.067 -4.798 1.00 10.00 C ATOM 1126 C VAL A 86 -4.827 -1.414 -5.507 1.00 10.00 C ATOM 1127 O VAL A 86 -5.839 -2.112 -5.437 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.621 -0.306 -3.279 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.285 -0.960 -2.951 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.780 0.995 -2.514 1.00 10.00 C ATOM 0 H VAL A 86 -6.790 0.424 -4.671 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.885 0.492 -5.137 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.417 -0.984 -2.971 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.212 -1.119 -1.875 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.213 -1.919 -3.465 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.472 -0.311 -3.278 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.681 0.803 -1.446 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -4.010 1.699 -2.830 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.764 1.418 -2.717 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.753 -1.769 -6.192 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.680 -3.029 -6.918 1.00 10.00 C ATOM 1142 C PHE A 87 -2.485 -3.841 -6.437 1.00 10.00 C ATOM 1143 O PHE A 87 -1.673 -3.351 -5.651 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.561 -2.772 -8.424 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.794 -2.174 -9.042 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.838 -2.986 -9.457 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.909 -0.804 -9.208 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.972 -2.441 -10.029 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.041 -0.253 -9.779 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.074 -1.072 -10.190 1.00 10.00 C ATOM 0 H PHE A 87 -2.911 -1.197 -6.262 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.594 -3.592 -6.729 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.718 -2.105 -8.603 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.335 -3.713 -8.926 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.764 -4.056 -9.332 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.105 -0.158 -8.888 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.778 -3.084 -10.350 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.117 0.817 -9.904 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.959 -0.644 -10.636 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.377 -5.073 -6.907 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.271 -5.944 -6.533 1.00 10.00 C ATOM 1162 C GLN A 88 -0.508 -6.380 -7.775 1.00 10.00 C ATOM 1163 O GLN A 88 -1.103 -6.617 -8.827 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.780 -7.173 -5.774 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.157 -6.894 -4.328 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.336 -7.707 -3.346 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.173 -8.013 -3.593 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.939 -8.073 -2.226 1.00 10.00 N ATOM 0 H GLN A 88 -3.045 -5.496 -7.552 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.601 -5.387 -5.878 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.650 -7.574 -6.295 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.011 -7.945 -5.796 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.021 -5.833 -4.119 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.214 -7.115 -4.183 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.907 -7.800 -2.055 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.436 -8.628 -1.534 1.00 10.00 H new ATOM 1177 N GLN A 89 0.806 -6.474 -7.648 1.00 10.00 N ATOM 1178 CA GLN A 89 1.657 -6.877 -8.753 1.00 10.00 C ATOM 1179 C GLN A 89 1.523 -8.374 -9.011 1.00 10.00 C ATOM 1180 O GLN A 89 1.285 -9.154 -8.087 1.00 10.00 O ATOM 1181 CB GLN A 89 3.116 -6.527 -8.442 1.00 10.00 C ATOM 1182 CG GLN A 89 4.044 -6.622 -9.644 1.00 10.00 C ATOM 1183 CD GLN A 89 3.737 -5.584 -10.706 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.222 -4.507 -10.413 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.055 -5.901 -11.948 1.00 10.00 N ATOM 0 H GLN A 89 1.308 -6.275 -6.783 1.00 10.00 H new ATOM 0 HA GLN A 89 1.344 -6.341 -9.649 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.159 -5.514 -8.042 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.480 -7.194 -7.661 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.075 -6.501 -9.312 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.964 -7.617 -10.081 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.481 -6.805 -12.150 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.874 -5.241 -12.705 1.00 10.00 H new ATOM 1194 N GLN A 90 1.657 -8.764 -10.270 1.00 10.00 N ATOM 1195 CA GLN A 90 1.565 -10.163 -10.652 1.00 10.00 C ATOM 1196 C GLN A 90 2.716 -10.960 -10.047 1.00 10.00 C ATOM 1197 O GLN A 90 3.887 -10.699 -10.335 1.00 10.00 O ATOM 1198 CB GLN A 90 1.568 -10.307 -12.175 1.00 10.00 C ATOM 1199 CG GLN A 90 0.226 -10.010 -12.833 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.115 -8.533 -12.838 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.770 -7.676 -12.816 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.400 -8.224 -12.879 1.00 10.00 N ATOM 0 H GLN A 90 1.831 -8.127 -11.047 1.00 10.00 H new ATOM 0 HA GLN A 90 0.625 -10.559 -10.267 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.320 -9.636 -12.591 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.869 -11.322 -12.432 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.241 -10.378 -13.859 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.558 -10.557 -12.310 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.102 -8.964 -12.896 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.689 -7.246 -12.894 1.00 10.00 H new ATOM 1211 N THR A 91 2.379 -11.926 -9.207 1.00 10.00 N ATOM 1212 CA THR A 91 3.379 -12.754 -8.554 1.00 10.00 C ATOM 1213 C THR A 91 3.949 -13.787 -9.519 1.00 10.00 C ATOM 1214 O THR A 91 5.141 -14.096 -9.484 1.00 10.00 O ATOM 1215 CB THR A 91 2.773 -13.474 -7.338 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.456 -12.963 -7.087 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.639 -13.281 -6.102 1.00 10.00 C ATOM 0 H THR A 91 1.416 -12.156 -8.961 1.00 10.00 H new ATOM 0 HA THR A 91 4.184 -12.099 -8.222 1.00 10.00 H new ATOM 0 HB THR A 91 2.722 -14.540 -7.558 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.069 -13.423 -6.313 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.188 -13.800 -5.257 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.634 -13.686 -6.288 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.717 -12.218 -5.875 1.00 10.00 H new ATOM 1225 N GLY A 92 3.093 -14.308 -10.387 1.00 10.00 N ATOM 1226 CA GLY A 92 3.526 -15.299 -11.346 1.00 10.00 C ATOM 1227 C GLY A 92 3.643 -14.719 -12.739 1.00 10.00 C ATOM 1228 O GLY A 92 2.882 -13.785 -13.066 1.00 10.00 O ATOM 0 H GLY A 92 2.105 -14.060 -10.443 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.490 -15.705 -11.039 1.00 10.00 H new ATOM 0 HA3 GLY A 92 2.819 -16.129 -11.356 1.00 10.00 H new ATOM 1233 N ASN B 357 -18.721 -4.223 5.527 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.144 -2.864 5.508 1.00 10.00 C ATOM 1235 C ASN B 357 -17.020 -2.768 6.532 1.00 10.00 C ATOM 1236 O ASN B 357 -17.249 -2.907 7.730 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.232 -1.825 5.807 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.756 -0.396 5.638 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.754 -0.131 4.977 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.487 0.539 6.225 1.00 10.00 N ATOM 0 HA ASN B 357 -17.736 -2.661 4.518 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.082 -1.998 5.147 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.588 -1.964 6.828 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.225 1.521 6.137 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.312 0.277 6.765 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.802 -2.557 6.049 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.640 -2.445 6.916 1.00 10.00 C ATOM 1249 C ASN B 358 -14.012 -1.077 6.740 1.00 10.00 C ATOM 1250 O ASN B 358 -13.734 -0.656 5.613 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.621 -3.537 6.566 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.280 -3.361 7.256 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.206 -2.940 8.412 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.209 -3.694 6.549 1.00 10.00 N ATOM 0 H ASN B 358 -15.595 -2.460 5.055 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.948 -2.571 7.954 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.035 -4.508 6.837 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.467 -3.546 5.487 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.279 -3.606 6.959 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.315 -4.039 5.595 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.806 -0.374 7.839 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.199 0.940 7.777 1.00 10.00 C ATOM 1263 C ARG B 359 -11.917 0.975 8.586 1.00 10.00 C ATOM 1264 O ARG B 359 -11.885 0.589 9.757 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.169 2.032 8.241 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.736 1.823 9.634 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.645 2.973 10.035 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.506 2.622 11.159 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.496 3.387 11.600 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.724 4.576 11.046 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.252 2.969 12.609 1.00 10.00 N ATOM 0 H ARG B 359 -14.049 -0.689 8.778 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.954 1.143 6.734 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.655 2.993 8.213 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -14.995 2.091 7.532 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.294 0.887 9.666 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.921 1.733 10.352 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.039 3.839 10.299 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.261 3.263 9.183 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.337 1.735 11.634 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.136 4.902 10.279 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.486 5.161 11.389 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.070 2.063 13.041 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -19.014 3.554 12.951 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.874 1.452 7.947 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.561 1.549 8.555 1.00 10.00 C ATOM 1287 C ASP B 360 -9.121 3.007 8.583 1.00 10.00 C ATOM 1288 O ASP B 360 -9.314 3.728 7.608 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.556 0.687 7.787 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.202 0.631 8.467 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.383 1.543 8.246 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -6.956 -0.330 9.224 1.00 10.00 O ATOM 0 H ASP B 360 -10.910 1.787 6.984 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.606 1.178 9.579 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.951 -0.324 7.687 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.437 1.084 6.779 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.570 3.497 9.693 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.156 4.875 9.789 1.00 10.00 C ATOM 1299 C PRO B 361 -6.640 5.042 9.794 1.00 10.00 C ATOM 1300 O PRO B 361 -5.917 4.442 10.588 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.729 5.236 11.159 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.694 3.955 11.955 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.415 2.826 10.982 1.00 10.00 C ATOM 0 HA PRO B 361 -8.490 5.488 8.952 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.137 6.014 11.640 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.746 5.617 11.072 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.921 4.001 12.722 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.643 3.795 12.467 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.414 2.413 11.110 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.117 2.001 11.101 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.174 5.899 8.895 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.758 6.162 8.751 1.00 10.00 C ATOM 1313 C ILE B 362 -4.465 7.633 9.008 1.00 10.00 C ATOM 1314 O ILE B 362 -5.162 8.519 8.509 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.223 5.745 7.360 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.653 4.306 7.041 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.703 5.872 7.324 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.023 3.728 5.788 1.00 10.00 C ATOM 0 H ILE B 362 -6.766 6.425 8.252 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.240 5.555 9.493 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.643 6.408 6.603 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.400 3.668 7.888 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.737 4.279 6.934 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.336 5.576 6.341 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.420 6.906 7.521 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.266 5.225 8.084 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.381 2.710 5.637 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.296 4.340 4.928 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.938 3.719 5.897 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.439 7.878 9.797 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.048 9.222 10.165 1.00 10.00 C ATOM 1332 C VAL B 363 -1.670 9.523 9.610 1.00 10.00 C ATOM 1333 O VAL B 363 -0.763 8.692 9.660 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.051 9.426 11.699 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.831 10.892 12.052 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.351 8.921 12.306 1.00 10.00 C ATOM 0 H VAL B 363 -2.852 7.149 10.202 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.779 9.909 9.739 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.228 8.847 12.118 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.837 11.010 13.136 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.870 11.221 11.657 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.628 11.495 11.617 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.332 9.074 13.385 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.190 9.468 11.876 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.464 7.858 12.092 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.540 10.717 9.085 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.312 11.169 8.470 1.00 10.00 C ATOM 1348 C ILE B 364 0.330 12.225 9.348 1.00 10.00 C ATOM 1349 O ILE B 364 -0.353 13.024 9.997 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.539 11.720 7.038 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.546 11.191 6.096 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.563 13.246 7.019 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.468 9.697 5.866 1.00 10.00 C ATOM 0 H ILE B 364 -2.289 11.409 9.072 1.00 10.00 H new ATOM 0 HA ILE B 364 0.353 10.310 8.376 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.514 11.373 6.695 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.465 11.703 5.137 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.525 11.437 6.507 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.724 13.595 5.999 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.370 13.605 7.657 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.388 13.629 7.388 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.266 9.391 5.189 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.579 9.176 6.817 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.497 9.447 5.426 1.00 10.00 H new