USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 28 SER OG : rot 115:sc= 2.19 USER MOD Set 1.2: B 358 ASN : amide:sc= 1.05 K(o=3.2,f=0.8) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.18 K(o=1.2,f=-0.8) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.0206 K(o=1.2,f=0.37) USER MOD Single : A 17 HIS : no HD1:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.07) USER MOD Single : A 25 GLN : amide:sc= 1.09 K(o=1.1,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.15) USER MOD Single : A 37 HIS : no HD1:sc= 0.884 K(o=0.88,f=-4.7!) USER MOD Single : A 38 THR OG1 : rot -69:sc= -0.48! USER MOD Single : A 41 SER OG : rot -98:sc= 1.4 USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= 3.49 (180deg=-0.0881) USER MOD Single : A 44 MET CE :methyl 179:sc= -0.292 (180deg=-0.295) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 73:sc= -4.73! USER MOD Single : A 51 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.21) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 165:sc=-0.00569 (180deg=-0.206) USER MOD Single : A 57 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.7) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 1.14 K(o=1.1,f=-0.23) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 75 GLN : amide:sc= -0.28 K(o=-0.28,f=-0.9) USER MOD Single : A 78 MET CE :methyl -120:sc= -0.398 (180deg=-1.3) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.2!) USER MOD Single : A 89 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= -0.0761 K(o=-0.076,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.114 USER MOD Single : B 357 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.915 23.439 4.863 1.00 10.00 N ATOM 2 CA ASP A 16 -6.359 22.427 5.846 1.00 10.00 C ATOM 3 C ASP A 16 -5.990 21.037 5.358 1.00 10.00 C ATOM 4 O ASP A 16 -5.265 20.891 4.375 1.00 10.00 O ATOM 5 CB ASP A 16 -7.871 22.516 6.070 1.00 10.00 C ATOM 6 CG ASP A 16 -8.265 23.702 6.927 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.049 23.651 8.156 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.785 24.691 6.375 1.00 10.00 O ATOM 0 HA ASP A 16 -5.857 22.622 6.794 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -8.374 22.587 5.105 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.219 21.598 6.544 1.00 10.00 H new ATOM 13 N HIS A 17 -6.488 20.020 6.047 1.00 10.00 N ATOM 14 CA HIS A 17 -6.213 18.642 5.673 1.00 10.00 C ATOM 15 C HIS A 17 -7.204 18.174 4.613 1.00 10.00 C ATOM 16 O HIS A 17 -8.348 18.631 4.575 1.00 10.00 O ATOM 17 CB HIS A 17 -6.287 17.728 6.898 1.00 10.00 C ATOM 18 CG HIS A 17 -4.983 17.580 7.625 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.600 18.462 8.605 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.027 16.629 7.490 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.427 18.031 9.040 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.042 16.927 8.394 1.00 10.00 N ATOM 0 H HIS A 17 -7.084 20.124 6.868 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.205 18.593 5.261 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.034 18.121 7.588 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.631 16.742 6.584 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.039 15.796 6.802 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -2.853 18.511 9.819 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.179 16.405 8.545 1.00 10.00 H new ATOM 30 N ILE A 18 -6.760 17.270 3.759 1.00 10.00 N ATOM 31 CA ILE A 18 -7.596 16.735 2.699 1.00 10.00 C ATOM 32 C ILE A 18 -7.872 15.255 2.963 1.00 10.00 C ATOM 33 O ILE A 18 -6.963 14.491 3.290 1.00 10.00 O ATOM 34 CB ILE A 18 -6.939 16.936 1.308 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.811 16.357 0.191 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.546 16.323 1.260 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.261 16.618 -1.197 1.00 10.00 C ATOM 0 H ILE A 18 -5.815 16.887 3.780 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.541 17.278 2.692 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.847 18.010 1.148 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.911 15.282 0.338 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.812 16.783 0.263 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.113 16.481 0.272 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.915 16.795 2.013 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.612 15.254 1.461 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.927 16.181 -1.941 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.187 17.693 -1.363 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.272 16.168 -1.287 1.00 10.00 H new ATOM 49 N ASN A 19 -9.132 14.861 2.854 1.00 10.00 N ATOM 50 CA ASN A 19 -9.524 13.479 3.103 1.00 10.00 C ATOM 51 C ASN A 19 -9.462 12.662 1.821 1.00 10.00 C ATOM 52 O ASN A 19 -10.248 12.875 0.900 1.00 10.00 O ATOM 53 CB ASN A 19 -10.941 13.416 3.679 1.00 10.00 C ATOM 54 CG ASN A 19 -11.098 14.217 4.958 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.921 13.693 6.060 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.434 15.492 4.821 1.00 10.00 N ATOM 0 H ASN A 19 -9.902 15.478 2.595 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.825 13.059 3.826 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.646 13.787 2.935 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.202 12.376 3.874 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.556 16.079 5.646 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.571 15.886 3.890 1.00 10.00 H new ATOM 63 N LEU A 20 -8.519 11.737 1.755 1.00 10.00 N ATOM 64 CA LEU A 20 -8.377 10.886 0.585 1.00 10.00 C ATOM 65 C LEU A 20 -8.937 9.501 0.883 1.00 10.00 C ATOM 66 O LEU A 20 -8.678 8.931 1.944 1.00 10.00 O ATOM 67 CB LEU A 20 -6.908 10.799 0.157 1.00 10.00 C ATOM 68 CG LEU A 20 -6.293 12.119 -0.319 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.844 11.915 -0.731 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.097 12.702 -1.472 1.00 10.00 C ATOM 0 H LEU A 20 -7.842 11.556 2.496 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.941 11.321 -0.240 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.322 10.424 0.996 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.822 10.065 -0.645 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.320 12.826 0.510 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.424 12.863 -1.066 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.272 11.546 0.120 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.795 11.190 -1.543 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.643 13.639 -1.795 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.105 11.997 -2.303 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.120 12.888 -1.145 1.00 10.00 H new ATOM 82 N LYS A 21 -9.711 8.968 -0.053 1.00 10.00 N ATOM 83 CA LYS A 21 -10.327 7.663 0.113 1.00 10.00 C ATOM 84 C LYS A 21 -9.546 6.585 -0.628 1.00 10.00 C ATOM 85 O LYS A 21 -9.615 6.478 -1.855 1.00 10.00 O ATOM 86 CB LYS A 21 -11.778 7.696 -0.383 1.00 10.00 C ATOM 87 CG LYS A 21 -12.686 8.580 0.457 1.00 10.00 C ATOM 88 CD LYS A 21 -13.907 9.039 -0.326 1.00 10.00 C ATOM 89 CE LYS A 21 -14.913 7.918 -0.531 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.151 8.403 -1.199 1.00 10.00 N ATOM 0 H LYS A 21 -9.927 9.424 -0.939 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.316 7.419 1.175 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.793 8.049 -1.414 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.175 6.681 -0.388 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -13.007 8.033 1.344 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.128 9.450 0.803 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.387 9.863 0.202 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.591 9.423 -1.296 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.461 7.129 -1.132 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -15.168 7.478 0.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.917 7.715 -1.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.427 9.320 -0.794 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.975 8.513 -2.218 1.00 10.00 H new ATOM 104 N VAL A 22 -8.789 5.803 0.123 1.00 10.00 N ATOM 105 CA VAL A 22 -8.009 4.716 -0.446 1.00 10.00 C ATOM 106 C VAL A 22 -8.692 3.394 -0.123 1.00 10.00 C ATOM 107 O VAL A 22 -8.854 3.042 1.046 1.00 10.00 O ATOM 108 CB VAL A 22 -6.566 4.695 0.098 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.688 3.774 -0.733 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.983 6.097 0.146 1.00 10.00 C ATOM 0 H VAL A 22 -8.698 5.901 1.134 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.953 4.867 -1.524 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.596 4.307 1.116 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.675 3.776 -0.330 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.090 2.761 -0.700 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.668 4.124 -1.765 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.965 6.055 0.533 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.972 6.521 -0.858 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.593 6.723 0.797 1.00 10.00 H new ATOM 120 N ALA A 23 -9.105 2.674 -1.154 1.00 10.00 N ATOM 121 CA ALA A 23 -9.791 1.405 -0.964 1.00 10.00 C ATOM 122 C ALA A 23 -8.986 0.249 -1.535 1.00 10.00 C ATOM 123 O ALA A 23 -8.288 0.400 -2.536 1.00 10.00 O ATOM 124 CB ALA A 23 -11.176 1.454 -1.597 1.00 10.00 C ATOM 0 H ALA A 23 -8.978 2.945 -2.129 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.898 1.238 0.108 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.678 0.498 -1.448 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.761 2.248 -1.132 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.081 1.651 -2.665 1.00 10.00 H new ATOM 130 N GLY A 24 -9.084 -0.899 -0.882 1.00 10.00 N ATOM 131 CA GLY A 24 -8.374 -2.076 -1.340 1.00 10.00 C ATOM 132 C GLY A 24 -9.259 -2.978 -2.176 1.00 10.00 C ATOM 133 O GLY A 24 -10.440 -2.686 -2.375 1.00 10.00 O ATOM 0 H GLY A 24 -9.644 -1.037 -0.041 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.507 -1.772 -1.927 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.998 -2.631 -0.480 1.00 10.00 H new ATOM 137 N GLN A 25 -8.700 -4.086 -2.648 1.00 10.00 N ATOM 138 CA GLN A 25 -9.450 -5.031 -3.476 1.00 10.00 C ATOM 139 C GLN A 25 -10.410 -5.858 -2.627 1.00 10.00 C ATOM 140 O GLN A 25 -11.301 -6.532 -3.149 1.00 10.00 O ATOM 141 CB GLN A 25 -8.490 -5.955 -4.228 1.00 10.00 C ATOM 142 CG GLN A 25 -7.612 -5.236 -5.243 1.00 10.00 C ATOM 143 CD GLN A 25 -8.399 -4.707 -6.425 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.411 -5.288 -6.824 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.954 -3.597 -6.990 1.00 10.00 N ATOM 0 H GLN A 25 -7.732 -4.355 -2.474 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.034 -4.459 -4.197 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.852 -6.465 -3.506 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.068 -6.723 -4.741 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.100 -4.408 -4.753 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.842 -5.920 -5.601 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.113 -3.144 -6.632 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.452 -3.194 -7.784 1.00 10.00 H new ATOM 154 N ASP A 26 -10.223 -5.796 -1.317 1.00 10.00 N ATOM 155 CA ASP A 26 -11.064 -6.532 -0.382 1.00 10.00 C ATOM 156 C ASP A 26 -12.325 -5.739 -0.051 1.00 10.00 C ATOM 157 O ASP A 26 -13.360 -6.310 0.281 1.00 10.00 O ATOM 158 CB ASP A 26 -10.282 -6.849 0.899 1.00 10.00 C ATOM 159 CG ASP A 26 -10.139 -5.647 1.814 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.838 -4.541 1.317 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.325 -5.805 3.037 1.00 10.00 O ATOM 0 H ASP A 26 -9.491 -5.240 -0.874 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.362 -7.469 -0.852 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.786 -7.652 1.437 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.291 -7.217 0.633 1.00 10.00 H new ATOM 166 N GLY A 27 -12.233 -4.418 -0.147 1.00 10.00 N ATOM 167 CA GLY A 27 -13.377 -3.577 0.142 1.00 10.00 C ATOM 168 C GLY A 27 -13.144 -2.643 1.317 1.00 10.00 C ATOM 169 O GLY A 27 -14.007 -1.830 1.649 1.00 10.00 O ATOM 0 H GLY A 27 -11.388 -3.916 -0.419 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.620 -2.987 -0.742 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.241 -4.208 0.352 1.00 10.00 H new ATOM 173 N SER A 28 -11.986 -2.763 1.955 1.00 10.00 N ATOM 174 CA SER A 28 -11.657 -1.911 3.089 1.00 10.00 C ATOM 175 C SER A 28 -11.231 -0.530 2.607 1.00 10.00 C ATOM 176 O SER A 28 -10.479 -0.408 1.637 1.00 10.00 O ATOM 177 CB SER A 28 -10.545 -2.541 3.926 1.00 10.00 C ATOM 178 OG SER A 28 -10.977 -3.756 4.515 1.00 10.00 O ATOM 0 H SER A 28 -11.263 -3.439 1.707 1.00 10.00 H new ATOM 0 HA SER A 28 -12.546 -1.807 3.711 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.674 -2.727 3.298 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.234 -1.846 4.705 1.00 10.00 H new ATOM 0 HG SER A 28 -10.456 -4.501 4.148 1.00 10.00 H new ATOM 184 N VAL A 29 -11.720 0.504 3.278 1.00 10.00 N ATOM 185 CA VAL A 29 -11.388 1.870 2.912 1.00 10.00 C ATOM 186 C VAL A 29 -10.739 2.603 4.090 1.00 10.00 C ATOM 187 O VAL A 29 -11.163 2.463 5.240 1.00 10.00 O ATOM 188 CB VAL A 29 -12.637 2.644 2.415 1.00 10.00 C ATOM 189 CG1 VAL A 29 -13.681 2.782 3.514 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.248 4.007 1.862 1.00 10.00 C ATOM 0 H VAL A 29 -12.347 0.421 4.078 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.673 1.826 2.091 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.083 2.064 1.607 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.542 3.329 3.131 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -13.997 1.792 3.842 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.252 3.324 4.357 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.141 4.529 1.520 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -11.762 4.592 2.643 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -11.561 3.878 1.026 1.00 10.00 H new ATOM 200 N VAL A 30 -9.686 3.352 3.801 1.00 10.00 N ATOM 201 CA VAL A 30 -8.984 4.110 4.825 1.00 10.00 C ATOM 202 C VAL A 30 -9.243 5.599 4.667 1.00 10.00 C ATOM 203 O VAL A 30 -9.390 6.097 3.548 1.00 10.00 O ATOM 204 CB VAL A 30 -7.453 3.893 4.782 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.072 2.495 5.226 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.906 4.164 3.395 1.00 10.00 C ATOM 0 H VAL A 30 -9.298 3.451 2.863 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.368 3.747 5.778 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.009 4.602 5.481 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.989 2.382 5.182 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.413 2.333 6.249 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.540 1.764 4.567 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -5.828 4.004 3.392 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.375 3.488 2.680 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.121 5.195 3.114 1.00 10.00 H new ATOM 216 N GLN A 31 -9.322 6.299 5.784 1.00 10.00 N ATOM 217 CA GLN A 31 -9.508 7.739 5.762 1.00 10.00 C ATOM 218 C GLN A 31 -8.163 8.387 6.033 1.00 10.00 C ATOM 219 O GLN A 31 -7.716 8.458 7.180 1.00 10.00 O ATOM 220 CB GLN A 31 -10.538 8.194 6.796 1.00 10.00 C ATOM 221 CG GLN A 31 -10.952 9.646 6.619 1.00 10.00 C ATOM 222 CD GLN A 31 -12.070 10.058 7.554 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.900 9.239 7.951 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.106 11.334 7.905 1.00 10.00 N ATOM 0 H GLN A 31 -9.260 5.894 6.718 1.00 10.00 H new ATOM 0 HA GLN A 31 -9.890 8.038 4.786 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.421 7.559 6.726 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.126 8.058 7.796 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.088 10.288 6.789 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.270 9.805 5.589 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.399 11.980 7.554 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.841 11.671 8.527 1.00 10.00 H new ATOM 233 N PHE A 32 -7.506 8.819 4.969 1.00 10.00 N ATOM 234 CA PHE A 32 -6.191 9.422 5.078 1.00 10.00 C ATOM 235 C PHE A 32 -6.254 10.896 5.445 1.00 10.00 C ATOM 236 O PHE A 32 -6.734 11.723 4.666 1.00 10.00 O ATOM 237 CB PHE A 32 -5.429 9.261 3.765 1.00 10.00 C ATOM 238 CG PHE A 32 -4.362 8.209 3.812 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.629 6.914 3.397 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.088 8.515 4.262 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.644 5.946 3.434 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.102 7.552 4.302 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.381 6.264 3.886 1.00 10.00 C ATOM 0 H PHE A 32 -7.865 8.762 4.016 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.671 8.902 5.882 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.136 9.014 2.973 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -4.974 10.215 3.500 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.616 6.659 3.041 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -2.864 9.521 4.586 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.863 4.940 3.109 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.114 7.804 4.658 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.611 5.508 3.915 1.00 10.00 H new ATOM 253 N LYS A 33 -5.774 11.214 6.637 1.00 10.00 N ATOM 254 CA LYS A 33 -5.717 12.590 7.094 1.00 10.00 C ATOM 255 C LYS A 33 -4.374 13.168 6.665 1.00 10.00 C ATOM 256 O LYS A 33 -3.414 13.186 7.437 1.00 10.00 O ATOM 257 CB LYS A 33 -5.884 12.671 8.615 1.00 10.00 C ATOM 258 CG LYS A 33 -6.074 14.087 9.135 1.00 10.00 C ATOM 259 CD LYS A 33 -7.433 14.270 9.791 1.00 10.00 C ATOM 260 CE LYS A 33 -7.749 15.744 10.004 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.073 15.953 10.653 1.00 10.00 N ATOM 0 H LYS A 33 -5.417 10.533 7.307 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.532 13.164 6.653 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -6.742 12.067 8.910 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.007 12.233 9.092 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.289 14.318 9.855 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -5.970 14.794 8.312 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.204 13.817 9.168 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.450 13.750 10.749 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.970 16.194 10.620 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.733 16.259 9.043 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.242 16.972 10.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.821 15.548 10.054 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.082 15.486 11.582 1.00 10.00 H new ATOM 275 N ILE A 34 -4.311 13.602 5.416 1.00 10.00 N ATOM 276 CA ILE A 34 -3.085 14.137 4.843 1.00 10.00 C ATOM 277 C ILE A 34 -3.294 15.579 4.358 1.00 10.00 C ATOM 278 O ILE A 34 -4.429 16.021 4.202 1.00 10.00 O ATOM 279 CB ILE A 34 -2.623 13.235 3.661 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.360 13.778 2.981 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.744 13.089 2.641 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.705 12.792 2.034 1.00 10.00 C ATOM 0 H ILE A 34 -5.103 13.594 4.774 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.314 14.146 5.613 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.378 12.257 4.075 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.616 14.683 2.429 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.640 14.065 3.748 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.408 12.456 1.820 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.613 12.635 3.118 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.015 14.072 2.255 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.181 13.247 1.591 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.417 11.896 2.584 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.408 12.524 1.245 1.00 10.00 H new ATOM 294 N LYS A 35 -2.207 16.319 4.162 1.00 10.00 N ATOM 295 CA LYS A 35 -2.294 17.688 3.669 1.00 10.00 C ATOM 296 C LYS A 35 -2.190 17.682 2.146 1.00 10.00 C ATOM 297 O LYS A 35 -2.137 16.618 1.531 1.00 10.00 O ATOM 298 CB LYS A 35 -1.190 18.564 4.267 1.00 10.00 C ATOM 299 CG LYS A 35 -1.297 18.758 5.770 1.00 10.00 C ATOM 300 CD LYS A 35 -0.320 19.818 6.251 1.00 10.00 C ATOM 301 CE LYS A 35 -0.160 19.799 7.762 1.00 10.00 C ATOM 302 NZ LYS A 35 0.968 20.662 8.199 1.00 10.00 N ATOM 0 H LYS A 35 -1.256 15.993 4.337 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.253 18.107 3.973 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.223 18.118 4.037 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.214 19.540 3.783 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.314 19.050 6.032 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.095 17.815 6.278 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.650 19.657 5.781 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.667 20.802 5.935 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.083 20.139 8.231 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.011 18.776 8.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.127 20.536 9.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.829 20.397 7.679 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.739 21.658 8.005 1.00 10.00 H new ATOM 316 N ARG A 36 -2.139 18.855 1.532 1.00 10.00 N ATOM 317 CA ARG A 36 -2.060 18.933 0.080 1.00 10.00 C ATOM 318 C ARG A 36 -0.615 18.923 -0.415 1.00 10.00 C ATOM 319 O ARG A 36 -0.344 18.501 -1.538 1.00 10.00 O ATOM 320 CB ARG A 36 -2.773 20.185 -0.438 1.00 10.00 C ATOM 321 CG ARG A 36 -4.273 20.190 -0.195 1.00 10.00 C ATOM 322 CD ARG A 36 -4.966 21.279 -1.002 1.00 10.00 C ATOM 323 NE ARG A 36 -4.857 21.052 -2.447 1.00 10.00 N ATOM 324 CZ ARG A 36 -5.843 20.555 -3.202 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.020 20.254 -2.662 1.00 10.00 N ATOM 326 NH2 ARG A 36 -5.667 20.375 -4.506 1.00 10.00 N ATOM 0 H ARG A 36 -2.151 19.756 2.009 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.559 18.046 -0.312 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.336 21.062 0.038 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.589 20.278 -1.508 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.689 19.218 -0.461 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.470 20.341 0.866 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.018 21.323 -0.721 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.529 22.246 -0.754 1.00 10.00 H new ATOM 0 HE ARG A 36 -3.976 21.287 -2.904 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.176 20.402 -1.665 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -7.767 19.875 -3.245 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -4.775 20.616 -4.938 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -6.424 19.996 -5.075 1.00 10.00 H new ATOM 340 N HIS A 37 0.313 19.378 0.418 1.00 10.00 N ATOM 341 CA HIS A 37 1.718 19.429 0.015 1.00 10.00 C ATOM 342 C HIS A 37 2.508 18.214 0.512 1.00 10.00 C ATOM 343 O HIS A 37 3.670 18.034 0.145 1.00 10.00 O ATOM 344 CB HIS A 37 2.368 20.740 0.493 1.00 10.00 C ATOM 345 CG HIS A 37 2.842 20.734 1.919 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.162 20.954 2.232 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.147 20.527 3.061 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.236 20.883 3.546 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.043 20.623 4.095 1.00 10.00 N ATOM 0 H HIS A 37 0.126 19.713 1.363 1.00 10.00 H new ATOM 0 HA HIS A 37 1.745 19.401 -1.074 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.216 20.964 -0.154 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.649 21.550 0.369 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.089 20.325 3.143 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.147 21.018 4.110 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.840 20.517 5.089 1.00 10.00 H new ATOM 357 N THR A 38 1.884 17.384 1.336 1.00 10.00 N ATOM 358 CA THR A 38 2.552 16.201 1.863 1.00 10.00 C ATOM 359 C THR A 38 2.673 15.116 0.785 1.00 10.00 C ATOM 360 O THR A 38 1.676 14.732 0.175 1.00 10.00 O ATOM 361 CB THR A 38 1.803 15.645 3.088 1.00 10.00 C ATOM 362 OG1 THR A 38 1.395 16.727 3.938 1.00 10.00 O ATOM 363 CG2 THR A 38 2.686 14.689 3.873 1.00 10.00 C ATOM 0 H THR A 38 0.922 17.506 1.653 1.00 10.00 H new ATOM 0 HA THR A 38 3.554 16.498 2.174 1.00 10.00 H new ATOM 0 HB THR A 38 0.926 15.101 2.737 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.185 17.132 4.354 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.136 14.309 4.734 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.979 13.857 3.234 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.577 15.215 4.216 1.00 10.00 H new ATOM 371 N PRO A 39 3.905 14.630 0.529 1.00 10.00 N ATOM 372 CA PRO A 39 4.171 13.593 -0.483 1.00 10.00 C ATOM 373 C PRO A 39 3.311 12.339 -0.323 1.00 10.00 C ATOM 374 O PRO A 39 3.116 11.837 0.790 1.00 10.00 O ATOM 375 CB PRO A 39 5.646 13.250 -0.259 1.00 10.00 C ATOM 376 CG PRO A 39 6.233 14.464 0.363 1.00 10.00 C ATOM 377 CD PRO A 39 5.146 15.065 1.204 1.00 10.00 C ATOM 0 HA PRO A 39 3.936 13.956 -1.483 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.755 12.382 0.391 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.142 13.009 -1.199 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.101 14.210 0.971 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.572 15.167 -0.398 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.190 14.707 2.232 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.222 16.152 1.242 1.00 10.00 H new ATOM 385 N LEU A 40 2.829 11.820 -1.450 1.00 10.00 N ATOM 386 CA LEU A 40 1.994 10.623 -1.455 1.00 10.00 C ATOM 387 C LEU A 40 2.830 9.374 -1.190 1.00 10.00 C ATOM 388 O LEU A 40 2.292 8.279 -1.030 1.00 10.00 O ATOM 389 CB LEU A 40 1.253 10.491 -2.788 1.00 10.00 C ATOM 390 CG LEU A 40 0.149 11.523 -3.024 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.400 11.410 -4.437 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.972 11.347 -2.009 1.00 10.00 C ATOM 0 H LEU A 40 3.004 12.212 -2.375 1.00 10.00 H new ATOM 0 HA LEU A 40 1.260 10.720 -0.655 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.979 10.567 -3.598 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.815 9.494 -2.845 1.00 10.00 H new ATOM 0 HG LEU A 40 0.581 12.516 -2.899 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.184 12.153 -4.583 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.402 11.583 -5.154 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.813 10.413 -4.588 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.749 12.090 -2.192 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.396 10.347 -2.105 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.575 11.478 -1.002 1.00 10.00 H new ATOM 404 N SER A 41 4.146 9.546 -1.146 1.00 10.00 N ATOM 405 CA SER A 41 5.057 8.446 -0.874 1.00 10.00 C ATOM 406 C SER A 41 4.763 7.864 0.503 1.00 10.00 C ATOM 407 O SER A 41 4.780 6.648 0.701 1.00 10.00 O ATOM 408 CB SER A 41 6.496 8.948 -0.949 1.00 10.00 C ATOM 409 OG SER A 41 6.523 10.319 -1.315 1.00 10.00 O ATOM 0 H SER A 41 4.606 10.444 -1.297 1.00 10.00 H new ATOM 0 HA SER A 41 4.919 7.662 -1.618 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.986 8.813 0.015 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.056 8.360 -1.676 1.00 10.00 H new ATOM 0 HG SER A 41 6.691 10.397 -2.277 1.00 10.00 H new ATOM 415 N LYS A 42 4.466 8.752 1.447 1.00 10.00 N ATOM 416 CA LYS A 42 4.140 8.351 2.807 1.00 10.00 C ATOM 417 C LYS A 42 2.811 7.617 2.819 1.00 10.00 C ATOM 418 O LYS A 42 2.630 6.648 3.547 1.00 10.00 O ATOM 419 CB LYS A 42 4.042 9.572 3.723 1.00 10.00 C ATOM 420 CG LYS A 42 5.377 10.211 4.062 1.00 10.00 C ATOM 421 CD LYS A 42 5.206 11.311 5.101 1.00 10.00 C ATOM 422 CE LYS A 42 6.400 11.390 6.041 1.00 10.00 C ATOM 423 NZ LYS A 42 6.076 12.152 7.276 1.00 10.00 N ATOM 0 H LYS A 42 4.445 9.760 1.291 1.00 10.00 H new ATOM 0 HA LYS A 42 4.933 7.697 3.170 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.406 10.318 3.246 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.548 9.277 4.649 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.062 9.452 4.440 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.826 10.625 3.159 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.075 12.269 4.598 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.300 11.128 5.679 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.721 10.383 6.308 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.236 11.865 5.528 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.885 12.752 7.536 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 5.242 12.749 7.107 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.875 11.488 8.051 1.00 10.00 H new ATOM 437 N LEU A 43 1.893 8.093 1.985 1.00 10.00 N ATOM 438 CA LEU A 43 0.562 7.515 1.879 1.00 10.00 C ATOM 439 C LEU A 43 0.636 6.067 1.413 1.00 10.00 C ATOM 440 O LEU A 43 -0.057 5.198 1.945 1.00 10.00 O ATOM 441 CB LEU A 43 -0.283 8.346 0.905 1.00 10.00 C ATOM 442 CG LEU A 43 -1.787 8.059 0.922 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.574 9.348 0.753 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.157 7.065 -0.169 1.00 10.00 C ATOM 0 H LEU A 43 2.052 8.888 1.366 1.00 10.00 H new ATOM 0 HA LEU A 43 0.094 7.528 2.863 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.130 9.402 1.129 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.089 8.178 -0.106 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.041 7.620 1.887 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.641 9.127 0.767 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.334 10.030 1.568 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.312 9.812 -0.198 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.230 6.875 -0.139 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.888 7.476 -1.142 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.619 6.131 -0.008 1.00 10.00 H new ATOM 456 N MET A 44 1.487 5.813 0.427 1.00 10.00 N ATOM 457 CA MET A 44 1.651 4.469 -0.111 1.00 10.00 C ATOM 458 C MET A 44 2.242 3.532 0.935 1.00 10.00 C ATOM 459 O MET A 44 1.721 2.442 1.172 1.00 10.00 O ATOM 460 CB MET A 44 2.542 4.495 -1.356 1.00 10.00 C ATOM 461 CG MET A 44 1.912 5.205 -2.544 1.00 10.00 C ATOM 462 SD MET A 44 2.840 4.979 -4.075 1.00 10.00 S ATOM 463 CE MET A 44 4.335 5.893 -3.712 1.00 10.00 C ATOM 0 H MET A 44 2.074 6.520 -0.016 1.00 10.00 H new ATOM 0 HA MET A 44 0.666 4.096 -0.390 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.483 4.986 -1.108 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.782 3.471 -1.642 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.896 4.836 -2.684 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.837 6.270 -2.325 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.016 5.829 -4.561 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.086 6.937 -3.524 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.815 5.470 -2.830 1.00 10.00 H new ATOM 473 N LYS A 45 3.319 3.974 1.576 1.00 10.00 N ATOM 474 CA LYS A 45 3.986 3.171 2.594 1.00 10.00 C ATOM 475 C LYS A 45 3.079 2.925 3.795 1.00 10.00 C ATOM 476 O LYS A 45 3.021 1.810 4.308 1.00 10.00 O ATOM 477 CB LYS A 45 5.283 3.844 3.041 1.00 10.00 C ATOM 478 CG LYS A 45 6.414 3.693 2.038 1.00 10.00 C ATOM 479 CD LYS A 45 7.671 4.401 2.508 1.00 10.00 C ATOM 480 CE LYS A 45 8.814 4.221 1.525 1.00 10.00 C ATOM 481 NZ LYS A 45 10.081 4.800 2.039 1.00 10.00 N ATOM 0 H LYS A 45 3.748 4.884 1.408 1.00 10.00 H new ATOM 0 HA LYS A 45 4.223 2.204 2.149 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.095 4.904 3.209 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.594 3.420 3.996 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.627 2.635 1.884 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.105 4.099 1.075 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.465 5.464 2.636 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.965 4.013 3.483 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.955 3.159 1.323 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.556 4.694 0.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.837 4.657 1.339 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.954 5.818 2.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.341 4.331 2.930 1.00 10.00 H new ATOM 495 N ALA A 46 2.369 3.962 4.232 1.00 10.00 N ATOM 496 CA ALA A 46 1.464 3.850 5.375 1.00 10.00 C ATOM 497 C ALA A 46 0.422 2.760 5.146 1.00 10.00 C ATOM 498 O ALA A 46 0.096 1.996 6.058 1.00 10.00 O ATOM 499 CB ALA A 46 0.786 5.183 5.650 1.00 10.00 C ATOM 0 H ALA A 46 2.402 4.891 3.812 1.00 10.00 H new ATOM 0 HA ALA A 46 2.056 3.573 6.247 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.116 5.081 6.504 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.542 5.937 5.870 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.213 5.488 4.774 1.00 10.00 H new ATOM 505 N TYR A 47 -0.090 2.686 3.922 1.00 10.00 N ATOM 506 CA TYR A 47 -1.080 1.681 3.574 1.00 10.00 C ATOM 507 C TYR A 47 -0.475 0.286 3.694 1.00 10.00 C ATOM 508 O TYR A 47 -1.080 -0.623 4.268 1.00 10.00 O ATOM 509 CB TYR A 47 -1.596 1.916 2.154 1.00 10.00 C ATOM 510 CG TYR A 47 -2.839 1.120 1.821 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.758 -0.068 1.104 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.096 1.560 2.221 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.891 -0.794 0.796 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.235 0.837 1.919 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.127 -0.339 1.203 1.00 10.00 C ATOM 516 OH TYR A 47 -6.257 -1.060 0.896 1.00 10.00 O ATOM 0 H TYR A 47 0.166 3.311 3.157 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.919 1.759 4.266 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.809 2.977 2.025 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -0.810 1.660 1.444 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.792 -0.429 0.782 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.184 2.482 2.777 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.809 -1.715 0.238 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.204 1.190 2.241 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.045 -0.603 1.257 1.00 10.00 H new ATOM 526 N CYS A 48 0.733 0.130 3.167 1.00 10.00 N ATOM 527 CA CYS A 48 1.437 -1.144 3.214 1.00 10.00 C ATOM 528 C CYS A 48 1.743 -1.545 4.657 1.00 10.00 C ATOM 529 O CYS A 48 1.694 -2.724 5.005 1.00 10.00 O ATOM 530 CB CYS A 48 2.731 -1.059 2.410 1.00 10.00 C ATOM 531 SG CYS A 48 2.486 -0.653 0.665 1.00 10.00 S ATOM 0 H CYS A 48 1.248 0.876 2.699 1.00 10.00 H new ATOM 0 HA CYS A 48 0.793 -1.906 2.775 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.378 -0.306 2.860 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.254 -2.013 2.481 1.00 10.00 H new ATOM 0 HG CYS A 48 2.149 0.598 0.554 1.00 10.00 H new ATOM 537 N GLU A 49 2.049 -0.554 5.487 1.00 10.00 N ATOM 538 CA GLU A 49 2.365 -0.785 6.892 1.00 10.00 C ATOM 539 C GLU A 49 1.173 -1.384 7.633 1.00 10.00 C ATOM 540 O GLU A 49 1.329 -2.293 8.447 1.00 10.00 O ATOM 541 CB GLU A 49 2.783 0.527 7.558 1.00 10.00 C ATOM 542 CG GLU A 49 4.166 1.002 7.148 1.00 10.00 C ATOM 543 CD GLU A 49 5.264 0.310 7.922 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.788 0.918 8.885 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.595 -0.846 7.591 1.00 10.00 O ATOM 0 H GLU A 49 2.085 0.426 5.207 1.00 10.00 H new ATOM 0 HA GLU A 49 3.190 -1.495 6.940 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.054 1.299 7.310 1.00 10.00 H new ATOM 0 HB3 GLU A 49 2.757 0.400 8.640 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.308 0.823 6.082 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.239 2.078 7.303 1.00 10.00 H new ATOM 552 N ARG A 50 -0.020 -0.877 7.337 1.00 10.00 N ATOM 553 CA ARG A 50 -1.239 -1.357 7.982 1.00 10.00 C ATOM 554 C ARG A 50 -1.610 -2.755 7.486 1.00 10.00 C ATOM 555 O ARG A 50 -2.127 -3.576 8.242 1.00 10.00 O ATOM 556 CB ARG A 50 -2.394 -0.381 7.733 1.00 10.00 C ATOM 557 CG ARG A 50 -3.650 -0.680 8.545 1.00 10.00 C ATOM 558 CD ARG A 50 -4.443 0.580 8.812 1.00 10.00 C ATOM 559 NE ARG A 50 -3.716 1.494 9.693 1.00 10.00 N ATOM 560 CZ ARG A 50 -4.136 1.865 10.902 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.317 1.472 11.363 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.378 2.665 11.641 1.00 10.00 N ATOM 0 H ARG A 50 -0.169 -0.134 6.655 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.052 -1.416 9.054 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.057 0.630 7.964 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.647 -0.398 6.673 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.271 -1.397 8.008 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.372 -1.145 9.491 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -4.663 1.080 7.869 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -5.400 0.320 9.265 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.829 1.872 9.360 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.916 0.878 10.790 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.625 1.764 12.290 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.481 2.992 11.283 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.693 2.953 12.567 1.00 10.00 H new ATOM 576 N GLN A 51 -1.331 -3.028 6.217 1.00 10.00 N ATOM 577 CA GLN A 51 -1.647 -4.331 5.635 1.00 10.00 C ATOM 578 C GLN A 51 -0.524 -5.334 5.884 1.00 10.00 C ATOM 579 O GLN A 51 -0.674 -6.527 5.621 1.00 10.00 O ATOM 580 CB GLN A 51 -1.910 -4.197 4.134 1.00 10.00 C ATOM 581 CG GLN A 51 -3.113 -3.329 3.804 1.00 10.00 C ATOM 582 CD GLN A 51 -4.407 -3.874 4.383 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.783 -3.555 5.512 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.090 -4.709 3.618 1.00 10.00 N ATOM 0 H GLN A 51 -0.890 -2.371 5.573 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.549 -4.703 6.121 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.026 -3.776 3.655 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.061 -5.190 3.710 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.945 -2.322 4.186 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.210 -3.247 2.721 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -4.744 -4.948 2.689 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -5.962 -5.114 3.957 1.00 10.00 H new ATOM 593 N GLY A 52 0.599 -4.841 6.395 1.00 10.00 N ATOM 594 CA GLY A 52 1.734 -5.698 6.674 1.00 10.00 C ATOM 595 C GLY A 52 2.360 -6.252 5.410 1.00 10.00 C ATOM 596 O GLY A 52 2.749 -7.420 5.359 1.00 10.00 O ATOM 0 H GLY A 52 0.743 -3.857 6.622 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.483 -5.135 7.231 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.416 -6.523 7.311 1.00 10.00 H new ATOM 600 N LEU A 53 2.459 -5.415 4.388 1.00 10.00 N ATOM 601 CA LEU A 53 3.034 -5.820 3.113 1.00 10.00 C ATOM 602 C LEU A 53 4.057 -4.794 2.641 1.00 10.00 C ATOM 603 O LEU A 53 4.166 -3.707 3.211 1.00 10.00 O ATOM 604 CB LEU A 53 1.934 -5.981 2.054 1.00 10.00 C ATOM 605 CG LEU A 53 0.876 -7.047 2.361 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.259 -6.978 1.350 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.499 -8.433 2.367 1.00 10.00 C ATOM 0 H LEU A 53 2.146 -4.445 4.417 1.00 10.00 H new ATOM 0 HA LEU A 53 3.532 -6.779 3.253 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.432 -5.022 1.927 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.404 -6.224 1.101 1.00 10.00 H new ATOM 0 HG LEU A 53 0.468 -6.850 3.352 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.001 -7.742 1.583 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.725 -5.994 1.393 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.135 -7.149 0.348 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.732 -9.176 2.587 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.935 -8.640 1.390 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.277 -8.479 3.129 1.00 10.00 H new ATOM 619 N SER A 54 4.803 -5.139 1.604 1.00 10.00 N ATOM 620 CA SER A 54 5.807 -4.240 1.062 1.00 10.00 C ATOM 621 C SER A 54 5.175 -3.287 0.051 1.00 10.00 C ATOM 622 O SER A 54 4.151 -3.606 -0.562 1.00 10.00 O ATOM 623 CB SER A 54 6.935 -5.039 0.400 1.00 10.00 C ATOM 624 OG SER A 54 8.063 -4.219 0.140 1.00 10.00 O ATOM 0 H SER A 54 4.732 -6.035 1.121 1.00 10.00 H new ATOM 0 HA SER A 54 6.226 -3.655 1.880 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.226 -5.867 1.047 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.576 -5.474 -0.533 1.00 10.00 H new ATOM 0 HG SER A 54 8.767 -4.755 -0.281 1.00 10.00 H new ATOM 630 N MET A 55 5.787 -2.123 -0.131 1.00 10.00 N ATOM 631 CA MET A 55 5.277 -1.129 -1.072 1.00 10.00 C ATOM 632 C MET A 55 5.490 -1.594 -2.508 1.00 10.00 C ATOM 633 O MET A 55 4.754 -1.214 -3.412 1.00 10.00 O ATOM 634 CB MET A 55 5.957 0.227 -0.855 1.00 10.00 C ATOM 635 CG MET A 55 5.196 1.389 -1.470 1.00 10.00 C ATOM 636 SD MET A 55 6.092 2.950 -1.350 1.00 10.00 S ATOM 637 CE MET A 55 7.386 2.702 -2.568 1.00 10.00 C ATOM 0 H MET A 55 6.636 -1.843 0.359 1.00 10.00 H new ATOM 0 HA MET A 55 4.208 -1.014 -0.893 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.069 0.402 0.215 1.00 10.00 H new ATOM 0 HB3 MET A 55 6.960 0.194 -1.280 1.00 10.00 H new ATOM 0 HG2 MET A 55 4.993 1.171 -2.519 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.231 1.490 -0.973 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.853 3.659 -2.803 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.136 2.020 -2.168 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.956 2.276 -3.474 1.00 10.00 H new ATOM 647 N ARG A 56 6.495 -2.435 -2.704 1.00 10.00 N ATOM 648 CA ARG A 56 6.803 -2.959 -4.026 1.00 10.00 C ATOM 649 C ARG A 56 5.946 -4.190 -4.325 1.00 10.00 C ATOM 650 O ARG A 56 5.955 -4.712 -5.441 1.00 10.00 O ATOM 651 CB ARG A 56 8.292 -3.307 -4.120 1.00 10.00 C ATOM 652 CG ARG A 56 8.755 -3.651 -5.530 1.00 10.00 C ATOM 653 CD ARG A 56 10.251 -3.904 -5.582 1.00 10.00 C ATOM 654 NE ARG A 56 10.583 -5.072 -6.393 1.00 10.00 N ATOM 655 CZ ARG A 56 11.830 -5.449 -6.676 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.858 -4.720 -6.255 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.046 -6.546 -7.391 1.00 10.00 N ATOM 0 H ARG A 56 7.111 -2.769 -1.963 1.00 10.00 H new ATOM 0 HA ARG A 56 6.575 -2.194 -4.768 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.877 -2.464 -3.751 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.500 -4.151 -3.463 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.224 -4.535 -5.882 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.500 -2.835 -6.206 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.753 -3.026 -5.989 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.629 -4.047 -4.570 1.00 10.00 H new ATOM 0 HE ARG A 56 9.816 -5.632 -6.765 1.00 10.00 H new ATOM 0 HH11 ARG A 56 12.694 -3.871 -5.715 1.00 10.00 H new ATOM 0 HH12 ARG A 56 13.812 -5.010 -6.472 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.258 -7.101 -7.724 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.000 -6.834 -7.607 1.00 10.00 H new ATOM 671 N GLN A 57 5.188 -4.631 -3.329 1.00 10.00 N ATOM 672 CA GLN A 57 4.334 -5.804 -3.475 1.00 10.00 C ATOM 673 C GLN A 57 3.001 -5.428 -4.117 1.00 10.00 C ATOM 674 O GLN A 57 2.328 -6.271 -4.712 1.00 10.00 O ATOM 675 CB GLN A 57 4.101 -6.454 -2.109 1.00 10.00 C ATOM 676 CG GLN A 57 3.752 -7.933 -2.176 1.00 10.00 C ATOM 677 CD GLN A 57 3.715 -8.582 -0.804 1.00 10.00 C ATOM 678 OE1 GLN A 57 4.387 -8.139 0.128 1.00 10.00 O ATOM 679 NE2 GLN A 57 2.927 -9.639 -0.670 1.00 10.00 N ATOM 0 H GLN A 57 5.147 -4.193 -2.409 1.00 10.00 H new ATOM 0 HA GLN A 57 4.836 -6.518 -4.128 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.998 -6.331 -1.502 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.296 -5.925 -1.599 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.782 -8.053 -2.658 1.00 10.00 H new ATOM 0 HG3 GLN A 57 4.483 -8.448 -2.799 1.00 10.00 H new ATOM 0 HE21 GLN A 57 2.386 -9.976 -1.466 1.00 10.00 H new ATOM 0 HE22 GLN A 57 2.862 -10.116 0.229 1.00 10.00 H new ATOM 688 N ILE A 58 2.625 -4.161 -3.997 1.00 10.00 N ATOM 689 CA ILE A 58 1.373 -3.681 -4.565 1.00 10.00 C ATOM 690 C ILE A 58 1.611 -2.466 -5.453 1.00 10.00 C ATOM 691 O ILE A 58 2.751 -2.023 -5.615 1.00 10.00 O ATOM 692 CB ILE A 58 0.344 -3.327 -3.467 1.00 10.00 C ATOM 693 CG1 ILE A 58 0.946 -2.353 -2.451 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.139 -4.590 -2.771 1.00 10.00 C ATOM 695 CD1 ILE A 58 -0.038 -1.899 -1.389 1.00 10.00 C ATOM 0 H ILE A 58 3.169 -3.448 -3.512 1.00 10.00 H new ATOM 0 HA ILE A 58 0.965 -4.492 -5.168 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.509 -2.840 -3.940 1.00 10.00 H new ATOM 0 HG12 ILE A 58 1.798 -2.828 -1.965 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.327 -1.479 -2.979 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.863 -4.326 -2.000 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.609 -5.250 -3.500 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.709 -5.100 -2.313 1.00 10.00 H new ATOM 0 HD11 ILE A 58 0.458 -1.211 -0.704 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.879 -1.395 -1.864 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -0.400 -2.765 -0.835 1.00 10.00 H new ATOM 707 N ARG A 59 0.541 -1.946 -6.043 1.00 10.00 N ATOM 708 CA ARG A 59 0.629 -0.784 -6.922 1.00 10.00 C ATOM 709 C ARG A 59 -0.475 0.216 -6.597 1.00 10.00 C ATOM 710 O ARG A 59 -1.555 -0.168 -6.153 1.00 10.00 O ATOM 711 CB ARG A 59 0.512 -1.212 -8.389 1.00 10.00 C ATOM 712 CG ARG A 59 1.606 -2.166 -8.845 1.00 10.00 C ATOM 713 CD ARG A 59 2.970 -1.494 -8.849 1.00 10.00 C ATOM 714 NE ARG A 59 4.013 -2.376 -9.371 1.00 10.00 N ATOM 715 CZ ARG A 59 4.839 -3.096 -8.609 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.732 -3.065 -7.284 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.767 -3.861 -9.180 1.00 10.00 N ATOM 0 H ARG A 59 -0.404 -2.313 -5.928 1.00 10.00 H new ATOM 0 HA ARG A 59 1.598 -0.312 -6.762 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.457 -1.687 -8.542 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.534 -0.323 -9.019 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.630 -3.034 -8.187 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.377 -2.531 -9.846 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.926 -0.588 -9.453 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.227 -1.189 -7.835 1.00 10.00 H new ATOM 0 HE ARG A 59 4.116 -2.446 -10.383 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.015 -2.488 -6.844 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.367 -3.618 -6.708 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.845 -3.895 -10.196 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.400 -4.413 -8.601 1.00 10.00 H new ATOM 731 N PHE A 60 -0.201 1.494 -6.825 1.00 10.00 N ATOM 732 CA PHE A 60 -1.175 2.548 -6.562 1.00 10.00 C ATOM 733 C PHE A 60 -1.455 3.337 -7.836 1.00 10.00 C ATOM 734 O PHE A 60 -0.539 3.618 -8.611 1.00 10.00 O ATOM 735 CB PHE A 60 -0.669 3.490 -5.470 1.00 10.00 C ATOM 736 CG PHE A 60 -0.660 2.882 -4.097 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.411 2.114 -3.671 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.718 3.088 -3.232 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.423 1.558 -2.407 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.714 2.535 -1.967 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.642 1.770 -1.552 1.00 10.00 C ATOM 0 H PHE A 60 0.690 1.827 -7.193 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.099 2.081 -6.220 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.342 3.811 -5.721 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.293 4.383 -5.457 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.246 1.948 -4.335 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.558 3.689 -3.549 1.00 10.00 H new ATOM 0 HE1 PHE A 60 1.263 0.959 -2.087 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.549 2.701 -1.302 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.636 1.338 -0.562 1.00 10.00 H new ATOM 751 N ARG A 61 -2.713 3.689 -8.054 1.00 10.00 N ATOM 752 CA ARG A 61 -3.097 4.441 -9.240 1.00 10.00 C ATOM 753 C ARG A 61 -4.088 5.547 -8.904 1.00 10.00 C ATOM 754 O ARG A 61 -4.905 5.418 -7.995 1.00 10.00 O ATOM 755 CB ARG A 61 -3.713 3.514 -10.293 1.00 10.00 C ATOM 756 CG ARG A 61 -2.705 2.623 -10.996 1.00 10.00 C ATOM 757 CD ARG A 61 -3.349 1.832 -12.122 1.00 10.00 C ATOM 758 NE ARG A 61 -2.428 0.854 -12.699 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.482 0.430 -13.963 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.422 0.884 -14.785 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.593 -0.451 -14.400 1.00 10.00 N ATOM 0 H ARG A 61 -3.485 3.466 -7.426 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.190 4.895 -9.640 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.466 2.887 -9.815 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.229 4.119 -11.038 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.895 3.233 -11.396 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.261 1.936 -10.276 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.234 1.319 -11.745 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.685 2.517 -12.900 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.698 0.472 -12.097 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.108 1.561 -14.451 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.458 0.556 -15.750 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.871 -0.802 -13.771 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.631 -0.778 -15.366 1.00 10.00 H new ATOM 775 N PHE A 62 -3.990 6.638 -9.643 1.00 10.00 N ATOM 776 CA PHE A 62 -4.881 7.774 -9.487 1.00 10.00 C ATOM 777 C PHE A 62 -5.324 8.232 -10.867 1.00 10.00 C ATOM 778 O PHE A 62 -4.485 8.536 -11.716 1.00 10.00 O ATOM 779 CB PHE A 62 -4.190 8.925 -8.745 1.00 10.00 C ATOM 780 CG PHE A 62 -4.968 10.215 -8.787 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.105 10.381 -8.011 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.567 11.256 -9.611 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.824 11.561 -8.054 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.282 12.439 -9.657 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.413 12.590 -8.879 1.00 10.00 C ATOM 0 H PHE A 62 -3.287 6.761 -10.372 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.744 7.473 -8.893 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.035 8.636 -7.705 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.204 9.089 -9.181 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.433 9.579 -7.366 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.685 11.141 -10.224 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.707 11.678 -7.443 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.956 13.243 -10.300 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.975 13.511 -8.916 1.00 10.00 H new ATOM 795 N ASP A 63 -6.635 8.232 -11.104 1.00 10.00 N ATOM 796 CA ASP A 63 -7.195 8.637 -12.396 1.00 10.00 C ATOM 797 C ASP A 63 -6.776 7.640 -13.481 1.00 10.00 C ATOM 798 O ASP A 63 -6.896 7.895 -14.678 1.00 10.00 O ATOM 799 CB ASP A 63 -6.749 10.067 -12.752 1.00 10.00 C ATOM 800 CG ASP A 63 -7.469 10.640 -13.959 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.716 10.705 -13.935 1.00 10.00 O ATOM 802 OD2 ASP A 63 -6.788 11.045 -14.926 1.00 10.00 O ATOM 0 H ASP A 63 -7.334 7.955 -10.415 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.283 8.635 -12.330 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.920 10.717 -11.894 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -5.676 10.068 -12.944 1.00 10.00 H new ATOM 807 N GLY A 64 -6.301 6.482 -13.038 1.00 10.00 N ATOM 808 CA GLY A 64 -5.858 5.450 -13.954 1.00 10.00 C ATOM 809 C GLY A 64 -4.352 5.448 -14.119 1.00 10.00 C ATOM 810 O GLY A 64 -3.765 4.443 -14.517 1.00 10.00 O ATOM 0 H GLY A 64 -6.215 6.239 -12.051 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.184 4.476 -13.589 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.329 5.600 -14.925 1.00 10.00 H new ATOM 814 N GLN A 65 -3.731 6.568 -13.777 1.00 10.00 N ATOM 815 CA GLN A 65 -2.287 6.716 -13.893 1.00 10.00 C ATOM 816 C GLN A 65 -1.600 6.326 -12.590 1.00 10.00 C ATOM 817 O GLN A 65 -2.033 6.737 -11.512 1.00 10.00 O ATOM 818 CB GLN A 65 -1.934 8.163 -14.248 1.00 10.00 C ATOM 819 CG GLN A 65 -2.629 8.674 -15.498 1.00 10.00 C ATOM 820 CD GLN A 65 -2.063 8.073 -16.767 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.505 7.019 -17.223 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.079 8.741 -17.347 1.00 10.00 N ATOM 0 H GLN A 65 -4.209 7.393 -13.414 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.937 6.054 -14.685 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.196 8.807 -13.409 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.856 8.241 -14.386 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.693 8.446 -15.436 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.537 9.759 -15.542 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.742 9.612 -16.936 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.658 8.385 -18.205 1.00 10.00 H new ATOM 831 N PRO A 66 -0.544 5.500 -12.662 1.00 10.00 N ATOM 832 CA PRO A 66 0.211 5.080 -11.475 1.00 10.00 C ATOM 833 C PRO A 66 0.833 6.269 -10.747 1.00 10.00 C ATOM 834 O PRO A 66 1.430 7.152 -11.371 1.00 10.00 O ATOM 835 CB PRO A 66 1.305 4.167 -12.044 1.00 10.00 C ATOM 836 CG PRO A 66 0.789 3.732 -13.372 1.00 10.00 C ATOM 837 CD PRO A 66 -0.015 4.889 -13.894 1.00 10.00 C ATOM 0 HA PRO A 66 -0.424 4.588 -10.739 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.251 4.699 -12.143 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.486 3.313 -11.391 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.607 3.487 -14.049 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.173 2.837 -13.279 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.601 5.588 -14.460 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.814 4.560 -14.558 1.00 10.00 H new ATOM 845 N ILE A 67 0.682 6.290 -9.432 1.00 10.00 N ATOM 846 CA ILE A 67 1.218 7.370 -8.616 1.00 10.00 C ATOM 847 C ILE A 67 2.737 7.262 -8.502 1.00 10.00 C ATOM 848 O ILE A 67 3.281 6.168 -8.348 1.00 10.00 O ATOM 849 CB ILE A 67 0.583 7.364 -7.204 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.945 7.421 -7.313 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.103 8.528 -6.367 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.656 7.366 -5.977 1.00 10.00 C ATOM 0 H ILE A 67 0.191 5.568 -8.904 1.00 10.00 H new ATOM 0 HA ILE A 67 0.969 8.311 -9.107 1.00 10.00 H new ATOM 0 HB ILE A 67 0.866 6.438 -6.704 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.229 8.339 -7.828 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.287 6.590 -7.930 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.642 8.501 -5.380 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.185 8.447 -6.264 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.854 9.469 -6.858 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.733 7.411 -6.136 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.403 6.436 -5.468 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.344 8.211 -5.364 1.00 10.00 H new ATOM 864 N ASN A 68 3.417 8.398 -8.605 1.00 10.00 N ATOM 865 CA ASN A 68 4.868 8.427 -8.510 1.00 10.00 C ATOM 866 C ASN A 68 5.288 8.654 -7.062 1.00 10.00 C ATOM 867 O ASN A 68 4.504 9.151 -6.251 1.00 10.00 O ATOM 868 CB ASN A 68 5.457 9.534 -9.398 1.00 10.00 C ATOM 869 CG ASN A 68 5.025 9.431 -10.853 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.618 8.699 -11.644 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.990 10.170 -11.217 1.00 10.00 N ATOM 0 H ASN A 68 2.985 9.310 -8.754 1.00 10.00 H new ATOM 0 HA ASN A 68 5.251 7.467 -8.856 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.156 10.505 -9.005 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.545 9.492 -9.345 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.659 10.144 -12.181 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.523 10.765 -10.533 1.00 10.00 H new ATOM 878 N GLU A 69 6.526 8.307 -6.739 1.00 10.00 N ATOM 879 CA GLU A 69 7.034 8.474 -5.379 1.00 10.00 C ATOM 880 C GLU A 69 7.210 9.950 -5.025 1.00 10.00 C ATOM 881 O GLU A 69 7.239 10.317 -3.854 1.00 10.00 O ATOM 882 CB GLU A 69 8.360 7.730 -5.208 1.00 10.00 C ATOM 883 CG GLU A 69 8.217 6.219 -5.255 1.00 10.00 C ATOM 884 CD GLU A 69 9.553 5.507 -5.251 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.118 5.292 -4.157 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.044 5.152 -6.344 1.00 10.00 O ATOM 0 H GLU A 69 7.197 7.909 -7.396 1.00 10.00 H new ATOM 0 HA GLU A 69 6.297 8.050 -4.697 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.049 8.046 -5.991 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.807 8.015 -4.256 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.630 5.887 -4.399 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.662 5.938 -6.150 1.00 10.00 H new ATOM 893 N THR A 70 7.326 10.793 -6.038 1.00 10.00 N ATOM 894 CA THR A 70 7.493 12.223 -5.825 1.00 10.00 C ATOM 895 C THR A 70 6.191 12.975 -6.108 1.00 10.00 C ATOM 896 O THR A 70 6.192 14.187 -6.328 1.00 10.00 O ATOM 897 CB THR A 70 8.618 12.781 -6.717 1.00 10.00 C ATOM 898 OG1 THR A 70 9.538 11.731 -7.059 1.00 10.00 O ATOM 899 CG2 THR A 70 9.369 13.896 -6.006 1.00 10.00 C ATOM 0 H THR A 70 7.308 10.512 -7.018 1.00 10.00 H new ATOM 0 HA THR A 70 7.763 12.371 -4.779 1.00 10.00 H new ATOM 0 HB THR A 70 8.166 13.184 -7.623 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.250 12.092 -7.628 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.159 14.274 -6.655 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.678 14.704 -5.766 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.809 13.510 -5.087 1.00 10.00 H new ATOM 907 N ASP A 71 5.078 12.251 -6.090 1.00 10.00 N ATOM 908 CA ASP A 71 3.777 12.851 -6.350 1.00 10.00 C ATOM 909 C ASP A 71 3.156 13.384 -5.067 1.00 10.00 C ATOM 910 O ASP A 71 3.396 12.854 -3.978 1.00 10.00 O ATOM 911 CB ASP A 71 2.827 11.837 -6.992 1.00 10.00 C ATOM 912 CG ASP A 71 2.711 12.005 -8.493 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.837 13.146 -8.984 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.489 10.990 -9.192 1.00 10.00 O ATOM 0 H ASP A 71 5.051 11.250 -5.898 1.00 10.00 H new ATOM 0 HA ASP A 71 3.932 13.681 -7.040 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.177 10.829 -6.770 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.839 11.938 -6.543 1.00 10.00 H new ATOM 919 N THR A 72 2.363 14.436 -5.200 1.00 10.00 N ATOM 920 CA THR A 72 1.681 15.047 -4.067 1.00 10.00 C ATOM 921 C THR A 72 0.235 15.346 -4.447 1.00 10.00 C ATOM 922 O THR A 72 -0.082 15.454 -5.634 1.00 10.00 O ATOM 923 CB THR A 72 2.372 16.360 -3.628 1.00 10.00 C ATOM 924 OG1 THR A 72 2.609 17.191 -4.765 1.00 10.00 O ATOM 925 CG2 THR A 72 3.688 16.083 -2.918 1.00 10.00 C ATOM 0 H THR A 72 2.174 14.890 -6.093 1.00 10.00 H new ATOM 0 HA THR A 72 1.719 14.346 -3.233 1.00 10.00 H new ATOM 0 HB THR A 72 1.707 16.870 -2.931 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.045 18.021 -4.479 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.148 17.026 -2.623 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.503 15.477 -2.031 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.358 15.547 -3.590 1.00 10.00 H new ATOM 933 N PRO A 73 -0.670 15.480 -3.460 1.00 10.00 N ATOM 934 CA PRO A 73 -2.080 15.790 -3.726 1.00 10.00 C ATOM 935 C PRO A 73 -2.236 17.091 -4.510 1.00 10.00 C ATOM 936 O PRO A 73 -3.176 17.251 -5.284 1.00 10.00 O ATOM 937 CB PRO A 73 -2.692 15.932 -2.330 1.00 10.00 C ATOM 938 CG PRO A 73 -1.780 15.176 -1.431 1.00 10.00 C ATOM 939 CD PRO A 73 -0.406 15.318 -2.020 1.00 10.00 C ATOM 0 HA PRO A 73 -2.560 15.022 -4.333 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.760 16.979 -2.034 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.703 15.526 -2.299 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.813 15.575 -0.417 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.072 14.128 -1.371 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.121 16.179 -1.608 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.210 14.441 -1.820 1.00 10.00 H new ATOM 947 N ALA A 74 -1.305 18.015 -4.305 1.00 10.00 N ATOM 948 CA ALA A 74 -1.327 19.293 -5.002 1.00 10.00 C ATOM 949 C ALA A 74 -0.743 19.163 -6.406 1.00 10.00 C ATOM 950 O ALA A 74 -1.139 19.882 -7.318 1.00 10.00 O ATOM 951 CB ALA A 74 -0.567 20.342 -4.211 1.00 10.00 C ATOM 0 H ALA A 74 -0.524 17.901 -3.659 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.367 19.608 -5.094 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.593 21.291 -4.746 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.029 20.465 -3.232 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.468 20.024 -4.086 1.00 10.00 H new ATOM 957 N GLN A 75 0.193 18.235 -6.574 1.00 10.00 N ATOM 958 CA GLN A 75 0.825 18.010 -7.872 1.00 10.00 C ATOM 959 C GLN A 75 -0.201 17.495 -8.874 1.00 10.00 C ATOM 960 O GLN A 75 -0.255 17.945 -10.017 1.00 10.00 O ATOM 961 CB GLN A 75 1.973 17.007 -7.739 1.00 10.00 C ATOM 962 CG GLN A 75 3.184 17.342 -8.595 1.00 10.00 C ATOM 963 CD GLN A 75 3.766 18.709 -8.281 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.624 19.223 -7.169 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.429 19.306 -9.254 1.00 10.00 N ATOM 0 H GLN A 75 0.532 17.626 -5.829 1.00 10.00 H new ATOM 0 HA GLN A 75 1.227 18.958 -8.231 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.281 16.958 -6.694 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.610 16.016 -8.011 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.951 16.582 -8.445 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.901 17.305 -9.647 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.525 18.849 -10.161 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.845 20.224 -9.099 1.00 10.00 H new ATOM 974 N LEU A 76 -1.019 16.554 -8.429 1.00 10.00 N ATOM 975 CA LEU A 76 -2.057 15.982 -9.272 1.00 10.00 C ATOM 976 C LEU A 76 -3.355 16.765 -9.106 1.00 10.00 C ATOM 977 O LEU A 76 -4.359 16.473 -9.758 1.00 10.00 O ATOM 978 CB LEU A 76 -2.276 14.511 -8.914 1.00 10.00 C ATOM 979 CG LEU A 76 -1.018 13.641 -8.965 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.254 12.320 -8.252 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.595 13.396 -10.407 1.00 10.00 C ATOM 0 H LEU A 76 -0.984 16.169 -7.485 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.740 16.044 -10.313 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.698 14.455 -7.911 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.017 14.093 -9.595 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.214 14.171 -8.454 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.349 11.715 -8.299 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.510 12.510 -7.210 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.072 11.787 -8.736 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.301 12.776 -10.423 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.398 12.887 -10.940 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.385 14.349 -10.892 1.00 10.00 H new ATOM 993 N GLU A 77 -3.305 17.772 -8.231 1.00 10.00 N ATOM 994 CA GLU A 77 -4.452 18.625 -7.926 1.00 10.00 C ATOM 995 C GLU A 77 -5.693 17.794 -7.605 1.00 10.00 C ATOM 996 O GLU A 77 -6.735 17.905 -8.260 1.00 10.00 O ATOM 997 CB GLU A 77 -4.720 19.610 -9.065 1.00 10.00 C ATOM 998 CG GLU A 77 -3.806 20.827 -9.033 1.00 10.00 C ATOM 999 CD GLU A 77 -4.121 21.777 -7.888 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.151 23.005 -8.122 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.350 21.308 -6.749 1.00 10.00 O ATOM 0 H GLU A 77 -2.462 18.018 -7.712 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.209 19.204 -7.035 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.596 19.096 -10.018 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.757 19.941 -9.014 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.771 20.495 -8.948 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.892 21.364 -9.978 1.00 10.00 H new ATOM 1008 N MET A 78 -5.560 16.962 -6.585 1.00 10.00 N ATOM 1009 CA MET A 78 -6.639 16.099 -6.138 1.00 10.00 C ATOM 1010 C MET A 78 -7.582 16.886 -5.244 1.00 10.00 C ATOM 1011 O MET A 78 -7.262 18.000 -4.820 1.00 10.00 O ATOM 1012 CB MET A 78 -6.074 14.900 -5.371 1.00 10.00 C ATOM 1013 CG MET A 78 -4.958 14.180 -6.105 1.00 10.00 C ATOM 1014 SD MET A 78 -4.006 13.092 -5.029 1.00 10.00 S ATOM 1015 CE MET A 78 -5.214 11.815 -4.684 1.00 10.00 C ATOM 0 H MET A 78 -4.701 16.867 -6.044 1.00 10.00 H new ATOM 0 HA MET A 78 -7.185 15.733 -7.007 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.702 15.240 -4.405 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.880 14.194 -5.171 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.383 13.596 -6.921 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.290 14.915 -6.554 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.397 11.767 -3.610 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.146 12.046 -5.201 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.836 10.853 -5.031 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.738 16.318 -4.952 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.704 16.988 -4.105 1.00 10.00 C ATOM 1027 C GLU A 79 -10.164 16.086 -2.974 1.00 10.00 C ATOM 1028 O GLU A 79 -9.798 14.912 -2.910 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.896 17.477 -4.923 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.850 18.972 -5.189 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.356 19.748 -3.985 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.999 19.669 -2.916 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.316 20.428 -4.098 1.00 10.00 O ATOM 0 H GLU A 79 -9.028 15.400 -5.287 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.213 17.855 -3.663 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.923 16.944 -5.873 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.818 17.234 -4.395 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.198 19.169 -6.040 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.845 19.322 -5.463 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.960 16.649 -2.075 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.464 15.904 -0.933 1.00 10.00 C ATOM 1042 C ASP A 80 -12.387 14.782 -1.381 1.00 10.00 C ATOM 1043 O ASP A 80 -13.212 14.968 -2.280 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.194 16.833 0.034 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.310 16.236 1.422 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.389 15.709 1.764 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.319 16.292 2.176 1.00 10.00 O ATOM 0 H ASP A 80 -11.270 17.620 -2.116 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.612 15.462 -0.417 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.664 17.784 0.092 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.191 17.047 -0.352 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.220 13.622 -0.752 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.000 12.423 -1.047 1.00 10.00 C ATOM 1054 C GLU A 81 -12.584 11.798 -2.374 1.00 10.00 C ATOM 1055 O GLU A 81 -13.353 11.057 -2.989 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.508 12.700 -1.031 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.120 12.623 0.358 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.519 12.045 0.351 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.475 12.784 0.666 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.672 10.846 0.033 1.00 10.00 O ATOM 0 H GLU A 81 -11.530 13.486 -0.013 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.787 11.708 -0.252 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.693 13.690 -1.447 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.009 11.983 -1.681 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.483 12.012 0.998 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -15.146 13.621 0.794 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.360 12.094 -2.809 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.838 11.529 -4.048 1.00 10.00 C ATOM 1069 C ASP A 82 -10.544 10.051 -3.836 1.00 10.00 C ATOM 1070 O ASP A 82 -10.317 9.623 -2.702 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.572 12.257 -4.502 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.625 12.637 -5.967 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.021 11.786 -6.796 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.282 13.793 -6.301 1.00 10.00 O ATOM 0 H ASP A 82 -10.716 12.718 -2.324 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.587 11.651 -4.830 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.436 13.155 -3.900 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.705 11.620 -4.325 1.00 10.00 H new ATOM 1079 N THR A 83 -10.536 9.278 -4.908 1.00 10.00 N ATOM 1080 CA THR A 83 -10.301 7.848 -4.797 1.00 10.00 C ATOM 1081 C THR A 83 -8.910 7.442 -5.277 1.00 10.00 C ATOM 1082 O THR A 83 -8.440 7.887 -6.326 1.00 10.00 O ATOM 1083 CB THR A 83 -11.353 7.055 -5.595 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.548 7.840 -5.734 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.680 5.744 -4.894 1.00 10.00 C ATOM 0 H THR A 83 -10.688 9.613 -5.859 1.00 10.00 H new ATOM 0 HA THR A 83 -10.379 7.611 -3.736 1.00 10.00 H new ATOM 0 HB THR A 83 -10.946 6.831 -6.581 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.215 7.334 -6.243 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.425 5.198 -5.473 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.775 5.142 -4.807 1.00 10.00 H new ATOM 0 HG23 THR A 83 -12.074 5.952 -3.899 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.255 6.602 -4.487 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.936 6.096 -4.826 1.00 10.00 C ATOM 1095 C ILE A 84 -7.017 4.589 -5.050 1.00 10.00 C ATOM 1096 O ILE A 84 -7.404 3.836 -4.150 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.899 6.420 -3.729 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.706 7.938 -3.627 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.570 5.730 -4.019 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.758 8.372 -2.531 1.00 10.00 C ATOM 0 H ILE A 84 -8.621 6.256 -3.600 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.604 6.589 -5.740 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.271 6.045 -2.775 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.334 8.310 -4.582 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.676 8.405 -3.459 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.855 5.973 -3.233 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.720 4.651 -4.053 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.184 6.073 -4.979 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.678 9.459 -2.528 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.137 8.033 -1.567 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.774 7.937 -2.707 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.667 4.170 -6.256 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.720 2.765 -6.646 1.00 10.00 C ATOM 1114 C ASP A 85 -5.530 1.975 -6.117 1.00 10.00 C ATOM 1115 O ASP A 85 -4.387 2.433 -6.183 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.752 2.648 -8.173 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.119 2.924 -8.765 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.783 1.964 -9.200 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.534 4.102 -8.811 1.00 10.00 O ATOM 0 H ASP A 85 -6.338 4.792 -6.994 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.627 2.346 -6.211 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.031 3.346 -8.599 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.434 1.646 -8.461 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.809 0.785 -5.602 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.775 -0.100 -5.083 1.00 10.00 C ATOM 1126 C VAL A 86 -4.824 -1.428 -5.832 1.00 10.00 C ATOM 1127 O VAL A 86 -5.858 -2.099 -5.853 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.940 -0.362 -3.570 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.819 -1.252 -3.052 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.977 0.948 -2.802 1.00 10.00 C ATOM 0 H VAL A 86 -6.754 0.407 -5.532 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.813 0.390 -5.233 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.887 -0.879 -3.415 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.955 -1.424 -1.984 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.839 -2.206 -3.578 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.859 -0.764 -3.222 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -5.094 0.743 -1.738 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -4.047 1.493 -2.967 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.817 1.550 -3.150 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.717 -1.801 -6.453 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.653 -3.040 -7.214 1.00 10.00 C ATOM 1142 C PHE A 87 -2.563 -3.958 -6.680 1.00 10.00 C ATOM 1143 O PHE A 87 -1.694 -3.530 -5.920 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.402 -2.740 -8.694 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.575 -2.112 -9.387 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.609 -2.898 -9.858 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.644 -0.741 -9.564 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.692 -2.330 -10.497 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.725 -0.167 -10.205 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.752 -0.962 -10.668 1.00 10.00 C ATOM 0 H PHE A 87 -2.850 -1.264 -6.446 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.611 -3.549 -7.107 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.542 -2.076 -8.781 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.142 -3.667 -9.205 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.569 -3.969 -9.725 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.845 -0.114 -9.197 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.492 -2.956 -10.863 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.766 0.903 -10.343 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.601 -0.515 -11.163 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.623 -5.221 -7.080 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.643 -6.213 -6.664 1.00 10.00 C ATOM 1162 C GLN A 88 -0.631 -6.441 -7.777 1.00 10.00 C ATOM 1163 O GLN A 88 -0.884 -6.096 -8.930 1.00 10.00 O ATOM 1164 CB GLN A 88 -2.338 -7.532 -6.323 1.00 10.00 C ATOM 1165 CG GLN A 88 -3.072 -7.515 -4.993 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.139 -7.643 -3.806 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.068 -8.244 -3.899 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.548 -7.092 -2.675 1.00 10.00 N ATOM 0 H GLN A 88 -3.348 -5.584 -7.698 1.00 10.00 H new ATOM 0 HA GLN A 88 -1.127 -5.844 -5.778 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -3.047 -7.773 -7.115 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.595 -8.329 -6.307 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -3.637 -6.587 -4.907 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.794 -8.331 -4.971 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.442 -6.603 -2.640 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.969 -7.156 -1.838 1.00 10.00 H new ATOM 1177 N GLN A 89 0.511 -7.016 -7.434 1.00 10.00 N ATOM 1178 CA GLN A 89 1.545 -7.284 -8.419 1.00 10.00 C ATOM 1179 C GLN A 89 1.508 -8.751 -8.834 1.00 10.00 C ATOM 1180 O GLN A 89 1.219 -9.627 -8.020 1.00 10.00 O ATOM 1181 CB GLN A 89 2.922 -6.919 -7.855 1.00 10.00 C ATOM 1182 CG GLN A 89 4.050 -7.031 -8.868 1.00 10.00 C ATOM 1183 CD GLN A 89 3.756 -6.286 -10.155 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.066 -5.270 -10.160 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.275 -6.791 -11.258 1.00 10.00 N ATOM 0 H GLN A 89 0.744 -7.305 -6.484 1.00 10.00 H new ATOM 0 HA GLN A 89 1.360 -6.670 -9.300 1.00 10.00 H new ATOM 0 HB2 GLN A 89 2.889 -5.898 -7.473 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.141 -7.569 -7.008 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.968 -6.641 -8.428 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.227 -8.083 -9.094 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.843 -7.637 -11.213 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.108 -6.335 -12.155 1.00 10.00 H new ATOM 1194 N GLN A 90 1.778 -9.006 -10.110 1.00 10.00 N ATOM 1195 CA GLN A 90 1.783 -10.363 -10.645 1.00 10.00 C ATOM 1196 C GLN A 90 2.919 -11.178 -10.029 1.00 10.00 C ATOM 1197 O GLN A 90 4.088 -10.980 -10.357 1.00 10.00 O ATOM 1198 CB GLN A 90 1.929 -10.342 -12.171 1.00 10.00 C ATOM 1199 CG GLN A 90 0.694 -9.839 -12.910 1.00 10.00 C ATOM 1200 CD GLN A 90 0.498 -8.341 -12.785 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.454 -7.587 -12.601 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.742 -7.898 -12.891 1.00 10.00 N ATOM 0 H GLN A 90 1.998 -8.285 -10.797 1.00 10.00 H new ATOM 0 HA GLN A 90 0.832 -10.830 -10.388 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.778 -9.712 -12.435 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.160 -11.350 -12.517 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.776 -10.102 -13.965 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.188 -10.349 -12.522 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.507 -8.555 -13.043 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -0.934 -6.899 -12.821 1.00 10.00 H new ATOM 1211 N THR A 91 2.567 -12.087 -9.129 1.00 10.00 N ATOM 1212 CA THR A 91 3.545 -12.930 -8.455 1.00 10.00 C ATOM 1213 C THR A 91 4.132 -13.998 -9.380 1.00 10.00 C ATOM 1214 O THR A 91 5.170 -14.585 -9.076 1.00 10.00 O ATOM 1215 CB THR A 91 2.903 -13.612 -7.236 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.605 -13.053 -7.000 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.765 -13.435 -5.997 1.00 10.00 C ATOM 0 H THR A 91 1.602 -12.260 -8.847 1.00 10.00 H new ATOM 0 HA THR A 91 4.360 -12.280 -8.138 1.00 10.00 H new ATOM 0 HB THR A 91 2.814 -14.678 -7.446 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.197 -13.490 -6.224 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.288 -13.927 -5.149 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.746 -13.879 -6.170 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.880 -12.373 -5.783 1.00 10.00 H new ATOM 1225 N GLY A 92 3.474 -14.248 -10.503 1.00 10.00 N ATOM 1226 CA GLY A 92 3.964 -15.246 -11.430 1.00 10.00 C ATOM 1227 C GLY A 92 4.184 -14.683 -12.815 1.00 10.00 C ATOM 1228 O GLY A 92 3.390 -13.818 -13.237 1.00 10.00 O ATOM 0 H GLY A 92 2.614 -13.780 -10.787 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.901 -15.658 -11.055 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.252 -16.070 -11.484 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -18.824 -2.876 5.139 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.099 -1.593 5.271 1.00 10.00 C ATOM 1235 C ASN B 357 -17.064 -1.661 6.384 1.00 10.00 C ATOM 1236 O ASN B 357 -17.410 -1.800 7.557 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.079 -0.455 5.561 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.371 0.853 5.879 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.315 1.148 5.325 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.940 1.639 6.782 1.00 10.00 N ATOM 0 HA ASN B 357 -17.588 -1.403 4.327 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -19.731 -0.312 4.699 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.717 -0.733 6.400 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.500 2.523 7.038 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.818 1.360 7.221 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.799 -1.536 6.011 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.706 -1.554 6.974 1.00 10.00 C ATOM 1249 C ASN B 358 -13.971 -0.230 6.904 1.00 10.00 C ATOM 1250 O ASN B 358 -13.584 0.211 5.819 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.734 -2.704 6.698 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.604 -2.760 7.713 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.801 -2.468 8.896 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.415 -3.135 7.262 1.00 10.00 N ATOM 0 H ASN B 358 -15.502 -1.420 5.042 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.121 -1.705 7.971 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.279 -3.648 6.711 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.316 -2.591 5.698 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.622 -3.190 7.901 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.294 -3.368 6.276 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.759 0.395 8.046 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.096 1.680 8.076 1.00 10.00 C ATOM 1263 C ARG B 359 -11.811 1.605 8.871 1.00 10.00 C ATOM 1264 O ARG B 359 -11.795 1.162 10.022 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.023 2.742 8.676 1.00 10.00 C ATOM 1266 CG ARG B 359 -15.140 2.162 9.537 1.00 10.00 C ATOM 1267 CD ARG B 359 -16.099 3.237 10.017 1.00 10.00 C ATOM 1268 NE ARG B 359 -17.319 2.666 10.588 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.726 2.858 11.845 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.993 3.576 12.688 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.865 2.318 12.263 1.00 10.00 N ATOM 0 H ARG B 359 -14.035 0.035 8.959 1.00 10.00 H new ATOM 0 HA ARG B 359 -12.851 1.960 7.051 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.431 3.430 9.279 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -14.464 3.325 7.868 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.689 1.415 8.964 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.708 1.651 10.397 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.604 3.857 10.765 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.359 3.889 9.184 1.00 10.00 H new ATOM 0 HE ARG B 359 -17.898 2.082 9.985 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.112 3.985 12.377 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.311 3.718 13.647 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -19.428 1.757 11.624 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -19.177 2.464 13.223 1.00 10.00 H new ATOM 1285 N ASP B 360 -10.748 2.055 8.242 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.426 2.076 8.835 1.00 10.00 C ATOM 1287 C ASP B 360 -8.935 3.515 8.855 1.00 10.00 C ATOM 1288 O ASP B 360 -9.123 4.244 7.880 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.452 1.187 8.064 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.888 0.058 8.906 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -7.264 0.338 9.954 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -8.043 -1.114 8.513 1.00 10.00 O ATOM 0 H ASP B 360 -10.776 2.422 7.291 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.480 1.682 9.850 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -8.961 0.767 7.196 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.631 1.797 7.688 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.316 3.966 9.946 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.864 5.335 10.058 1.00 10.00 C ATOM 1299 C PRO B 361 -6.348 5.472 9.962 1.00 10.00 C ATOM 1300 O PRO B 361 -5.586 4.829 10.684 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.322 5.647 11.485 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.203 4.340 12.231 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.098 3.238 11.195 1.00 10.00 C ATOM 0 HA PRO B 361 -8.244 5.985 9.270 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.700 6.418 11.939 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.347 6.016 11.498 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.325 4.345 12.877 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.070 4.183 12.872 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.124 2.750 11.217 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.847 2.461 11.350 1.00 10.00 H new ATOM 1311 N ILE B 362 -5.926 6.340 9.053 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.514 6.576 8.808 1.00 10.00 C ATOM 1313 C ILE B 362 -4.160 8.033 9.049 1.00 10.00 C ATOM 1314 O ILE B 362 -4.831 8.940 8.552 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.108 6.201 7.369 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.789 4.890 6.929 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.592 6.077 7.277 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.121 3.646 7.461 1.00 10.00 C ATOM 0 H ILE B 362 -6.550 6.896 8.469 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.968 5.940 9.504 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.440 6.991 6.695 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -5.828 4.903 7.260 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.802 4.846 5.840 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.310 5.812 6.258 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.132 7.028 7.545 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.248 5.302 7.962 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.658 2.765 7.108 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -3.090 3.608 7.109 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -4.132 3.665 8.551 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.093 8.251 9.791 1.00 10.00 N ATOM 1331 CA VAL B 363 -2.638 9.587 10.103 1.00 10.00 C ATOM 1332 C VAL B 363 -1.271 9.796 9.495 1.00 10.00 C ATOM 1333 O VAL B 363 -0.377 8.949 9.598 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.594 9.863 11.622 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.397 11.348 11.885 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.870 9.381 12.288 1.00 10.00 C ATOM 0 H VAL B 363 -2.520 7.509 10.192 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.355 10.291 9.680 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.752 9.316 12.045 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.368 11.526 12.960 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.459 11.675 11.437 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.223 11.908 11.446 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -3.821 9.584 13.358 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.725 9.904 11.858 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -3.982 8.309 12.127 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.125 10.929 8.859 1.00 10.00 N ATOM 1347 CA ILE B 364 0.086 11.287 8.177 1.00 10.00 C ATOM 1348 C ILE B 364 0.725 12.451 8.895 1.00 10.00 C ATOM 1349 O ILE B 364 0.037 13.335 9.412 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.162 11.615 6.681 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.882 10.910 5.814 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.132 13.114 6.415 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.857 9.402 5.932 1.00 10.00 C ATOM 0 H ILE B 364 -1.856 11.638 8.801 1.00 10.00 H new ATOM 0 HA ILE B 364 0.762 10.432 8.193 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.158 11.255 6.424 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.721 11.186 4.772 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.873 11.270 6.090 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.310 13.299 5.356 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.907 13.604 7.004 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.843 13.514 6.694 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.625 8.974 5.288 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.049 9.115 6.966 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.121 9.029 5.627 1.00 10.00 H new HETATM 1365 N SEP B 365 2.029 12.424 8.966 1.00 10.00 N HETATM 1366 CA SEP B 365 2.774 13.433 9.664 1.00 10.00 C HETATM 1367 CB SEP B 365 3.821 12.762 10.551 1.00 10.00 C HETATM 1368 OG SEP B 365 3.553 11.371 10.662 1.00 10.00 O HETATM 1369 C SEP B 365 3.446 14.296 8.632 1.00 10.00 C HETATM 1370 O SEP B 365 4.019 13.797 7.666 1.00 10.00 O HETATM 1371 P SEP B 365 4.348 10.314 9.762 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.081 8.913 10.132 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.778 10.620 9.582 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.732 10.447 8.291 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.815 12.916 10.132 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.818 13.220 11.540 1.00 10.00 H new HETATM 0 HA SEP B 365 2.121 14.038 10.294 1.00 10.00 H new HETATM 0 H SEP B 365 2.246 11.438 9.111 1.00 10.00 H new ATOM 1379 N ASP B 366 3.317 15.590 8.816 1.00 10.00 N ATOM 1380 CA ASP B 366 3.858 16.537 7.870 1.00 10.00 C ATOM 1381 C ASP B 366 4.946 17.364 8.516 1.00 10.00 C ATOM 1382 O ASP B 366 4.751 17.963 9.581 1.00 10.00 O ATOM 1383 CB ASP B 366 2.712 17.427 7.389 1.00 10.00 C ATOM 1384 CG ASP B 366 3.120 18.444 6.353 1.00 10.00 C ATOM 1385 OD1 ASP B 366 3.036 19.660 6.648 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.481 18.042 5.232 1.00 10.00 O ATOM 0 H ASP B 366 2.841 16.011 9.614 1.00 10.00 H new ATOM 0 HA ASP B 366 4.304 16.015 7.023 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.925 16.797 6.975 1.00 10.00 H new ATOM 0 HB3 ASP B 366 2.285 17.948 8.246 1.00 10.00 H new HETATM 1391 N SEP B 367 6.095 17.374 7.865 1.00 10.00 N HETATM 1392 CA SEP B 367 7.250 18.103 8.340 1.00 10.00 C HETATM 1393 CB SEP B 367 8.512 17.557 7.668 1.00 10.00 C HETATM 1394 OG SEP B 367 8.789 16.220 8.078 1.00 10.00 O HETATM 1395 C SEP B 367 7.113 19.600 8.061 1.00 10.00 C HETATM 1396 O SEP B 367 6.827 20.006 6.927 1.00 10.00 O HETATM 1397 P SEP B 367 8.207 14.973 7.253 1.00 10.00 P HETATM 1398 O1P SEP B 367 7.038 15.284 6.412 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.242 14.178 6.563 1.00 10.00 O HETATM 1400 O3P SEP B 367 7.647 13.986 8.379 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.391 17.588 6.585 1.00 10.00 H new HETATM 0 HB2 SEP B 367 9.360 18.196 7.912 1.00 10.00 H new HETATM 0 HA SEP B 367 7.322 17.969 9.419 1.00 10.00 H new HETATM 0 H SEP B 367 6.210 16.624 7.183 1.00 10.00 H new ATOM 1405 N PRO B 368 7.303 20.436 9.098 1.00 10.00 N ATOM 1406 CA PRO B 368 7.217 21.892 8.969 1.00 10.00 C ATOM 1407 C PRO B 368 8.198 22.428 7.932 1.00 10.00 C ATOM 1408 O PRO B 368 7.841 23.376 7.212 1.00 10.00 O ATOM 1409 CB PRO B 368 7.569 22.415 10.369 1.00 10.00 C ATOM 1410 CG PRO B 368 8.200 21.270 11.081 1.00 10.00 C ATOM 1411 CD PRO B 368 7.617 20.026 10.477 1.00 10.00 C ATOM 0 HA PRO B 368 6.231 22.212 8.631 1.00 10.00 H new ATOM 0 HB2 PRO B 368 8.251 23.263 10.310 1.00 10.00 H new ATOM 0 HB3 PRO B 368 6.678 22.759 10.894 1.00 10.00 H new ATOM 0 HG2 PRO B 368 9.283 21.288 10.963 1.00 10.00 H new ATOM 0 HG3 PRO B 368 7.995 21.316 12.150 1.00 10.00 H new ATOM 0 HD2 PRO B 368 8.325 19.198 10.499 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.726 19.698 11.012 1.00 10.00 H new TER 1419 PRO B 368