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 89 GLN : amide:sc= 0.198 K(o=2,f=-1.2) USER MOD Set 1.2: A 90 GLN : amide:sc= 1.85 K(o=2,f=-8.1!) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.96 K(o=1.8,f=-2.5!) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.792 K(o=1.8,f=-3.8!) USER MOD Set 3.1: A 68 ASN : amide:sc= -0.507 K(o=-0.42,f=-1.7) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0.0851 USER MOD Set 4.1: A 44 MET CE :methyl 178:sc= -0.0496 (180deg=-0.058) USER MOD Set 4.2: A 55 MET CE :methyl 130:sc= -0.109 (180deg=-0.829) USER MOD Set 5.1: A 28 SER OG : rot -44:sc= 1.32 USER MOD Set 5.2: A 47 TYR OH : rot -170:sc= 1.66 USER MOD Set 5.3: A 51 GLN : amide:sc= 1.3 K(o=4.3,f=0.37!) USER MOD Set 6.1: A 19 ASN : amide:sc= 0.785 K(o=1,f=-0.34) USER MOD Set 6.2: A 31 GLN : amide:sc= 0.214 K(o=1,f=0.24) USER MOD Single : A 17 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.72) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.06) USER MOD Single : A 25 GLN : amide:sc= 2.31 K(o=2.3,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.79) USER MOD Single : A 37 HIS : no HD1:sc= 0.597 K(o=0.6,f=-5.5!) USER MOD Single : A 38 THR OG1 : rot -86:sc= -1.12! USER MOD Single : A 41 SER OG : rot -99:sc= 1.47 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 1.08 (180deg=-0.302) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 78:sc= -4.29! USER MOD Single : A 54 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 65 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.16) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 78 MET CE :methyl -125:sc= -0.702 (180deg=-3.05!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 357 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 358 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.819 23.346 5.299 1.00 10.00 N ATOM 2 CA ASP A 16 -5.897 22.499 5.855 1.00 10.00 C ATOM 3 C ASP A 16 -5.648 21.038 5.506 1.00 10.00 C ATOM 4 O ASP A 16 -4.787 20.732 4.677 1.00 10.00 O ATOM 5 CB ASP A 16 -7.258 22.946 5.311 1.00 10.00 C ATOM 6 CG ASP A 16 -8.417 22.311 6.057 1.00 10.00 C ATOM 7 OD1 ASP A 16 -9.458 22.039 5.431 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.284 22.083 7.278 1.00 10.00 O ATOM 0 HA ASP A 16 -5.902 22.607 6.940 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.335 24.031 5.381 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.326 22.689 4.254 1.00 10.00 H new ATOM 13 N HIS A 17 -6.387 20.142 6.147 1.00 10.00 N ATOM 14 CA HIS A 17 -6.250 18.711 5.903 1.00 10.00 C ATOM 15 C HIS A 17 -7.183 18.271 4.784 1.00 10.00 C ATOM 16 O HIS A 17 -8.267 18.829 4.613 1.00 10.00 O ATOM 17 CB HIS A 17 -6.554 17.915 7.174 1.00 10.00 C ATOM 18 CG HIS A 17 -5.355 17.683 8.044 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.201 18.335 9.243 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.299 16.857 7.851 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.064 17.892 9.753 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.482 16.996 8.946 1.00 10.00 N ATOM 0 H HIS A 17 -7.092 20.382 6.844 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.220 18.515 5.604 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.313 18.445 7.750 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.981 16.952 6.895 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.132 16.213 7.000 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.657 18.212 10.700 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.601 16.510 9.113 1.00 10.00 H new ATOM 30 N ILE A 18 -6.760 17.270 4.031 1.00 10.00 N ATOM 31 CA ILE A 18 -7.552 16.754 2.931 1.00 10.00 C ATOM 32 C ILE A 18 -7.870 15.277 3.157 1.00 10.00 C ATOM 33 O ILE A 18 -7.013 14.504 3.588 1.00 10.00 O ATOM 34 CB ILE A 18 -6.825 16.963 1.579 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.659 16.433 0.413 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.452 16.303 1.591 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.023 16.674 -0.944 1.00 10.00 C ATOM 0 H ILE A 18 -5.866 16.797 4.164 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.490 17.307 2.892 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.692 18.036 1.441 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.817 15.363 0.547 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.641 16.906 0.434 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.962 16.464 0.631 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.846 16.739 2.385 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.564 15.233 1.766 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.669 16.272 -1.725 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.890 17.745 -1.098 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.053 16.178 -0.985 1.00 10.00 H new ATOM 49 N ASN A 19 -9.113 14.902 2.895 1.00 10.00 N ATOM 50 CA ASN A 19 -9.554 13.526 3.076 1.00 10.00 C ATOM 51 C ASN A 19 -9.412 12.745 1.783 1.00 10.00 C ATOM 52 O ASN A 19 -10.047 13.070 0.785 1.00 10.00 O ATOM 53 CB ASN A 19 -11.019 13.487 3.530 1.00 10.00 C ATOM 54 CG ASN A 19 -11.250 14.208 4.843 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.189 13.606 5.916 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.524 15.504 4.768 1.00 10.00 N ATOM 0 H ASN A 19 -9.838 15.534 2.555 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.926 13.071 3.842 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.645 13.937 2.759 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.335 12.449 3.631 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.694 16.040 5.619 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.565 15.965 3.859 1.00 10.00 H new ATOM 63 N LEU A 20 -8.574 11.726 1.792 1.00 10.00 N ATOM 64 CA LEU A 20 -8.381 10.908 0.606 1.00 10.00 C ATOM 65 C LEU A 20 -8.962 9.516 0.822 1.00 10.00 C ATOM 66 O LEU A 20 -8.611 8.828 1.783 1.00 10.00 O ATOM 67 CB LEU A 20 -6.899 10.825 0.238 1.00 10.00 C ATOM 68 CG LEU A 20 -6.282 12.136 -0.263 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.858 11.911 -0.735 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.122 12.731 -1.381 1.00 10.00 C ATOM 0 H LEU A 20 -8.019 11.445 2.600 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.908 11.377 -0.225 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.341 10.489 1.112 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.773 10.064 -0.532 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.263 12.842 0.567 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.438 12.853 -1.087 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.257 11.531 0.091 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.855 11.186 -1.549 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.667 13.661 -1.723 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.175 12.026 -2.211 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.128 12.933 -1.012 1.00 10.00 H new ATOM 82 N LYS A 21 -9.862 9.118 -0.067 1.00 10.00 N ATOM 83 CA LYS A 21 -10.508 7.816 0.023 1.00 10.00 C ATOM 84 C LYS A 21 -9.751 6.780 -0.794 1.00 10.00 C ATOM 85 O LYS A 21 -9.775 6.798 -2.027 1.00 10.00 O ATOM 86 CB LYS A 21 -11.957 7.900 -0.468 1.00 10.00 C ATOM 87 CG LYS A 21 -12.812 8.898 0.298 1.00 10.00 C ATOM 88 CD LYS A 21 -14.161 9.103 -0.374 1.00 10.00 C ATOM 89 CE LYS A 21 -15.029 10.080 0.404 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.298 10.384 -0.304 1.00 10.00 N ATOM 0 H LYS A 21 -10.162 9.682 -0.862 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.503 7.511 1.069 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.957 8.172 -1.524 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.413 6.913 -0.393 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.962 8.544 1.318 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.289 9.852 0.365 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.011 9.475 -1.387 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.675 8.146 -0.459 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.253 9.663 1.386 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.476 11.004 0.569 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.668 11.299 0.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.122 10.429 -1.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.994 9.638 -0.105 1.00 10.00 H new ATOM 104 N VAL A 22 -9.068 5.888 -0.104 1.00 10.00 N ATOM 105 CA VAL A 22 -8.311 4.835 -0.757 1.00 10.00 C ATOM 106 C VAL A 22 -8.976 3.492 -0.477 1.00 10.00 C ATOM 107 O VAL A 22 -9.407 3.230 0.648 1.00 10.00 O ATOM 108 CB VAL A 22 -6.842 4.803 -0.274 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.983 3.960 -1.202 1.00 10.00 C ATOM 110 CG2 VAL A 22 -6.282 6.213 -0.153 1.00 10.00 C ATOM 0 H VAL A 22 -9.021 5.871 0.915 1.00 10.00 H new ATOM 0 HA VAL A 22 -8.302 5.035 -1.828 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.823 4.343 0.714 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.955 3.954 -0.840 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.366 2.940 -1.225 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.012 4.381 -2.207 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.248 6.166 0.188 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -6.321 6.705 -1.125 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.875 6.780 0.565 1.00 10.00 H new ATOM 120 N ALA A 23 -9.081 2.649 -1.494 1.00 10.00 N ATOM 121 CA ALA A 23 -9.713 1.350 -1.328 1.00 10.00 C ATOM 122 C ALA A 23 -8.997 0.274 -2.133 1.00 10.00 C ATOM 123 O ALA A 23 -8.669 0.474 -3.305 1.00 10.00 O ATOM 124 CB ALA A 23 -11.179 1.420 -1.725 1.00 10.00 C ATOM 0 H ALA A 23 -8.739 2.840 -2.436 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.644 1.079 -0.275 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.638 0.440 -1.595 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.692 2.147 -1.096 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.259 1.723 -2.769 1.00 10.00 H new ATOM 130 N GLY A 24 -8.755 -0.860 -1.496 1.00 10.00 N ATOM 131 CA GLY A 24 -8.093 -1.959 -2.165 1.00 10.00 C ATOM 132 C GLY A 24 -9.090 -2.938 -2.747 1.00 10.00 C ATOM 133 O GLY A 24 -10.301 -2.746 -2.620 1.00 10.00 O ATOM 0 H GLY A 24 -9.006 -1.040 -0.524 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.456 -1.571 -2.960 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.443 -2.477 -1.460 1.00 10.00 H new ATOM 137 N GLN A 25 -8.592 -3.998 -3.371 1.00 10.00 N ATOM 138 CA GLN A 25 -9.459 -5.009 -3.974 1.00 10.00 C ATOM 139 C GLN A 25 -9.918 -6.011 -2.921 1.00 10.00 C ATOM 140 O GLN A 25 -10.611 -6.984 -3.225 1.00 10.00 O ATOM 141 CB GLN A 25 -8.733 -5.738 -5.110 1.00 10.00 C ATOM 142 CG GLN A 25 -7.846 -4.836 -5.955 1.00 10.00 C ATOM 143 CD GLN A 25 -8.593 -3.655 -6.550 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.754 -3.767 -6.944 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.932 -2.511 -6.593 1.00 10.00 N ATOM 0 H GLN A 25 -7.594 -4.182 -3.474 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.333 -4.505 -4.387 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -8.123 -6.536 -4.685 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -9.473 -6.211 -5.756 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.024 -4.467 -5.342 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -7.404 -5.422 -6.761 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.971 -2.464 -6.255 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.383 -1.675 -6.964 1.00 10.00 H new ATOM 154 N ASP A 26 -9.515 -5.760 -1.682 1.00 10.00 N ATOM 155 CA ASP A 26 -9.870 -6.610 -0.557 1.00 10.00 C ATOM 156 C ASP A 26 -11.168 -6.125 0.080 1.00 10.00 C ATOM 157 O ASP A 26 -11.865 -6.888 0.754 1.00 10.00 O ATOM 158 CB ASP A 26 -8.739 -6.613 0.481 1.00 10.00 C ATOM 159 CG ASP A 26 -8.535 -5.263 1.144 1.00 10.00 C ATOM 160 OD1 ASP A 26 -8.741 -4.224 0.476 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.168 -5.230 2.336 1.00 10.00 O ATOM 0 H ASP A 26 -8.933 -4.961 -1.431 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.017 -7.628 -0.919 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -8.959 -7.357 1.246 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -7.811 -6.917 -0.003 1.00 10.00 H new ATOM 166 N GLY A 27 -11.477 -4.849 -0.139 1.00 10.00 N ATOM 167 CA GLY A 27 -12.686 -4.265 0.405 1.00 10.00 C ATOM 168 C GLY A 27 -12.409 -3.327 1.564 1.00 10.00 C ATOM 169 O GLY A 27 -13.332 -2.895 2.255 1.00 10.00 O ATOM 0 H GLY A 27 -10.905 -4.207 -0.688 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.208 -3.720 -0.382 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.352 -5.061 0.738 1.00 10.00 H new ATOM 173 N SER A 28 -11.138 -3.009 1.781 1.00 10.00 N ATOM 174 CA SER A 28 -10.757 -2.121 2.869 1.00 10.00 C ATOM 175 C SER A 28 -10.889 -0.656 2.460 1.00 10.00 C ATOM 176 O SER A 28 -10.337 -0.230 1.444 1.00 10.00 O ATOM 177 CB SER A 28 -9.320 -2.409 3.326 1.00 10.00 C ATOM 178 OG SER A 28 -8.405 -2.318 2.243 1.00 10.00 O ATOM 0 H SER A 28 -10.358 -3.352 1.220 1.00 10.00 H new ATOM 0 HA SER A 28 -11.437 -2.308 3.700 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.036 -1.702 4.105 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.269 -3.405 3.765 1.00 10.00 H new ATOM 0 HG SER A 28 -8.781 -2.769 1.458 1.00 10.00 H new ATOM 184 N VAL A 29 -11.645 0.103 3.242 1.00 10.00 N ATOM 185 CA VAL A 29 -11.825 1.522 2.986 1.00 10.00 C ATOM 186 C VAL A 29 -11.037 2.316 4.015 1.00 10.00 C ATOM 187 O VAL A 29 -11.376 2.321 5.197 1.00 10.00 O ATOM 188 CB VAL A 29 -13.315 1.934 3.044 1.00 10.00 C ATOM 189 CG1 VAL A 29 -13.471 3.450 2.985 1.00 10.00 C ATOM 190 CG2 VAL A 29 -14.100 1.268 1.922 1.00 10.00 C ATOM 0 H VAL A 29 -12.144 -0.244 4.061 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.463 1.734 1.980 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.720 1.594 3.997 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.529 3.709 3.028 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -12.952 3.902 3.830 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.043 3.824 2.055 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -15.146 1.570 1.980 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -13.688 1.571 0.960 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -14.030 0.185 2.022 1.00 10.00 H new ATOM 200 N VAL A 30 -9.973 2.968 3.574 1.00 10.00 N ATOM 201 CA VAL A 30 -9.142 3.742 4.480 1.00 10.00 C ATOM 202 C VAL A 30 -9.344 5.238 4.286 1.00 10.00 C ATOM 203 O VAL A 30 -9.283 5.749 3.163 1.00 10.00 O ATOM 204 CB VAL A 30 -7.638 3.413 4.319 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.316 2.048 4.890 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.206 3.491 2.866 1.00 10.00 C ATOM 0 H VAL A 30 -9.667 2.977 2.601 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.456 3.463 5.486 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.080 4.163 4.879 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.253 1.842 4.764 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.566 2.029 5.951 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.897 1.289 4.367 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.145 3.254 2.789 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.781 2.777 2.277 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.382 4.498 2.488 1.00 10.00 H new ATOM 216 N GLN A 31 -9.609 5.933 5.380 1.00 10.00 N ATOM 217 CA GLN A 31 -9.779 7.373 5.341 1.00 10.00 C ATOM 218 C GLN A 31 -8.439 8.019 5.647 1.00 10.00 C ATOM 219 O GLN A 31 -8.040 8.134 6.809 1.00 10.00 O ATOM 220 CB GLN A 31 -10.839 7.839 6.341 1.00 10.00 C ATOM 221 CG GLN A 31 -11.285 9.277 6.110 1.00 10.00 C ATOM 222 CD GLN A 31 -12.200 9.800 7.199 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.917 9.036 7.850 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.191 11.111 7.398 1.00 10.00 N ATOM 0 H GLN A 31 -9.711 5.521 6.307 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.124 7.668 4.350 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.706 7.181 6.276 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.443 7.745 7.352 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.405 9.917 6.045 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.798 9.342 5.151 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.583 11.708 6.837 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.792 11.523 8.112 1.00 10.00 H new ATOM 233 N PHE A 32 -7.732 8.402 4.602 1.00 10.00 N ATOM 234 CA PHE A 32 -6.420 9.002 4.749 1.00 10.00 C ATOM 235 C PHE A 32 -6.496 10.482 5.088 1.00 10.00 C ATOM 236 O PHE A 32 -6.930 11.297 4.270 1.00 10.00 O ATOM 237 CB PHE A 32 -5.614 8.821 3.465 1.00 10.00 C ATOM 238 CG PHE A 32 -4.586 7.734 3.541 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.868 6.464 3.070 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.341 7.983 4.090 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.921 5.461 3.137 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.391 6.986 4.159 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.681 5.722 3.686 1.00 10.00 C ATOM 0 H PHE A 32 -8.046 8.308 3.636 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.928 8.493 5.578 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.299 8.603 2.646 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.117 9.761 3.224 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.839 6.255 2.646 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.111 8.968 4.468 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.150 4.475 2.761 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.420 7.194 4.583 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.940 4.939 3.745 1.00 10.00 H new ATOM 253 N LYS A 33 -6.087 10.819 6.301 1.00 10.00 N ATOM 254 CA LYS A 33 -6.056 12.206 6.726 1.00 10.00 C ATOM 255 C LYS A 33 -4.662 12.754 6.459 1.00 10.00 C ATOM 256 O LYS A 33 -3.757 12.623 7.286 1.00 10.00 O ATOM 257 CB LYS A 33 -6.409 12.350 8.207 1.00 10.00 C ATOM 258 CG LYS A 33 -6.673 13.792 8.613 1.00 10.00 C ATOM 259 CD LYS A 33 -6.752 13.953 10.119 1.00 10.00 C ATOM 260 CE LYS A 33 -7.041 15.395 10.498 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.062 15.598 11.971 1.00 10.00 N ATOM 0 H LYS A 33 -5.773 10.152 7.006 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.802 12.769 6.165 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.291 11.749 8.426 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.594 11.951 8.811 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.881 14.430 8.221 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.606 14.130 8.163 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.533 13.305 10.517 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -5.813 13.635 10.572 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.285 16.043 10.055 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.002 15.693 10.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.263 16.597 12.181 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.801 15.000 12.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.137 15.340 12.370 1.00 10.00 H new ATOM 275 N ILE A 34 -4.494 13.341 5.290 1.00 10.00 N ATOM 276 CA ILE A 34 -3.210 13.877 4.879 1.00 10.00 C ATOM 277 C ILE A 34 -3.328 15.383 4.606 1.00 10.00 C ATOM 278 O ILE A 34 -4.433 15.922 4.572 1.00 10.00 O ATOM 279 CB ILE A 34 -2.716 13.123 3.611 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.286 13.519 3.221 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.663 13.364 2.445 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.629 12.551 2.259 1.00 10.00 C ATOM 0 H ILE A 34 -5.238 13.460 4.602 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.484 13.734 5.679 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.707 12.060 3.853 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.303 14.511 2.770 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.679 13.590 4.123 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.302 12.829 1.567 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.659 13.005 2.705 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.708 14.431 2.227 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.379 12.895 2.028 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.579 11.562 2.715 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.213 12.498 1.340 1.00 10.00 H new ATOM 294 N LYS A 35 -2.200 16.066 4.456 1.00 10.00 N ATOM 295 CA LYS A 35 -2.210 17.494 4.162 1.00 10.00 C ATOM 296 C LYS A 35 -2.204 17.698 2.652 1.00 10.00 C ATOM 297 O LYS A 35 -2.094 16.736 1.893 1.00 10.00 O ATOM 298 CB LYS A 35 -1.000 18.191 4.787 1.00 10.00 C ATOM 299 CG LYS A 35 -1.030 18.242 6.306 1.00 10.00 C ATOM 300 CD LYS A 35 -1.508 19.592 6.815 1.00 10.00 C ATOM 301 CE LYS A 35 -1.229 19.758 8.302 1.00 10.00 C ATOM 302 NZ LYS A 35 0.195 20.099 8.573 1.00 10.00 N ATOM 0 H LYS A 35 -1.269 15.656 4.533 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.111 17.932 4.590 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.093 17.676 4.469 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.941 19.209 4.401 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.686 17.458 6.683 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.033 18.038 6.697 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -1.012 20.388 6.260 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -2.578 19.694 6.631 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.871 20.541 8.705 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.485 18.836 8.823 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.481 19.693 9.487 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.795 19.710 7.818 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.305 21.133 8.604 1.00 10.00 H new ATOM 316 N ARG A 36 -2.295 18.944 2.210 1.00 10.00 N ATOM 317 CA ARG A 36 -2.317 19.235 0.781 1.00 10.00 C ATOM 318 C ARG A 36 -0.914 19.515 0.244 1.00 10.00 C ATOM 319 O ARG A 36 -0.755 20.126 -0.813 1.00 10.00 O ATOM 320 CB ARG A 36 -3.240 20.420 0.486 1.00 10.00 C ATOM 321 CG ARG A 36 -4.659 20.212 0.989 1.00 10.00 C ATOM 322 CD ARG A 36 -5.646 21.135 0.295 1.00 10.00 C ATOM 323 NE ARG A 36 -5.812 20.795 -1.118 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.987 20.771 -1.748 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.108 21.082 -1.110 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.043 20.437 -3.027 1.00 10.00 N ATOM 0 H ARG A 36 -2.354 19.764 2.813 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.702 18.351 0.273 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.826 21.318 0.945 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.264 20.595 -0.590 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.954 19.176 0.825 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.692 20.387 2.064 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.611 21.078 0.798 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.302 22.166 0.382 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.977 20.562 -1.655 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.078 21.344 -0.125 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.000 21.059 -1.605 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -6.188 20.198 -3.530 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.941 20.418 -3.510 1.00 10.00 H new ATOM 340 N HIS A 37 0.101 19.060 0.969 1.00 10.00 N ATOM 341 CA HIS A 37 1.484 19.261 0.545 1.00 10.00 C ATOM 342 C HIS A 37 2.336 18.025 0.844 1.00 10.00 C ATOM 343 O HIS A 37 3.401 17.845 0.258 1.00 10.00 O ATOM 344 CB HIS A 37 2.088 20.514 1.209 1.00 10.00 C ATOM 345 CG HIS A 37 2.666 20.286 2.576 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.022 20.299 2.792 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.036 20.035 3.745 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.185 20.054 4.080 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.009 19.886 4.699 1.00 10.00 N ATOM 0 H HIS A 37 -0.005 18.553 1.848 1.00 10.00 H new ATOM 0 HA HIS A 37 1.482 19.417 -0.534 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.870 20.910 0.561 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.315 21.279 1.280 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.969 19.965 3.898 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.145 19.996 4.572 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.865 19.686 5.689 1.00 10.00 H new ATOM 357 N THR A 38 1.866 17.182 1.754 1.00 10.00 N ATOM 358 CA THR A 38 2.587 15.974 2.118 1.00 10.00 C ATOM 359 C THR A 38 2.666 15.014 0.932 1.00 10.00 C ATOM 360 O THR A 38 1.642 14.668 0.340 1.00 10.00 O ATOM 361 CB THR A 38 1.908 15.273 3.307 1.00 10.00 C ATOM 362 OG1 THR A 38 1.324 16.254 4.174 1.00 10.00 O ATOM 363 CG2 THR A 38 2.907 14.431 4.090 1.00 10.00 C ATOM 0 H THR A 38 0.987 17.315 2.253 1.00 10.00 H new ATOM 0 HA THR A 38 3.598 16.262 2.407 1.00 10.00 H new ATOM 0 HB THR A 38 1.133 14.613 2.918 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.997 16.567 4.814 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.400 13.947 4.925 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.335 13.671 3.436 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.703 15.071 4.471 1.00 10.00 H new ATOM 371 N PRO A 39 3.890 14.598 0.561 1.00 10.00 N ATOM 372 CA PRO A 39 4.116 13.679 -0.560 1.00 10.00 C ATOM 373 C PRO A 39 3.275 12.412 -0.465 1.00 10.00 C ATOM 374 O PRO A 39 3.089 11.847 0.616 1.00 10.00 O ATOM 375 CB PRO A 39 5.604 13.345 -0.450 1.00 10.00 C ATOM 376 CG PRO A 39 6.203 14.515 0.244 1.00 10.00 C ATOM 377 CD PRO A 39 5.155 15.003 1.201 1.00 10.00 C ATOM 0 HA PRO A 39 3.833 14.128 -1.512 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.763 12.426 0.114 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.050 13.197 -1.433 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.114 14.232 0.772 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.476 15.294 -0.468 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.269 14.551 2.186 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.208 16.083 1.338 1.00 10.00 H new ATOM 385 N LEU A 40 2.783 11.959 -1.614 1.00 10.00 N ATOM 386 CA LEU A 40 1.949 10.762 -1.682 1.00 10.00 C ATOM 387 C LEU A 40 2.748 9.510 -1.338 1.00 10.00 C ATOM 388 O LEU A 40 2.186 8.427 -1.162 1.00 10.00 O ATOM 389 CB LEU A 40 1.315 10.631 -3.069 1.00 10.00 C ATOM 390 CG LEU A 40 0.168 11.604 -3.351 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.296 11.488 -4.796 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.993 11.350 -2.402 1.00 10.00 C ATOM 0 H LEU A 40 2.948 12.405 -2.516 1.00 10.00 H new ATOM 0 HA LEU A 40 1.155 10.864 -0.943 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.090 10.779 -3.821 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.945 9.613 -3.188 1.00 10.00 H new ATOM 0 HG LEU A 40 0.535 12.617 -3.188 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.112 12.189 -4.974 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.533 11.720 -5.464 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.642 10.472 -4.986 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.799 12.051 -2.617 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.354 10.330 -2.534 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.659 11.486 -1.374 1.00 10.00 H new ATOM 404 N SER A 41 4.061 9.669 -1.238 1.00 10.00 N ATOM 405 CA SER A 41 4.948 8.575 -0.889 1.00 10.00 C ATOM 406 C SER A 41 4.609 8.051 0.504 1.00 10.00 C ATOM 407 O SER A 41 4.615 6.841 0.749 1.00 10.00 O ATOM 408 CB SER A 41 6.388 9.069 -0.932 1.00 10.00 C ATOM 409 OG SER A 41 6.444 10.380 -1.473 1.00 10.00 O ATOM 0 H SER A 41 4.537 10.557 -1.396 1.00 10.00 H new ATOM 0 HA SER A 41 4.824 7.760 -1.603 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.811 9.065 0.073 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.993 8.393 -1.536 1.00 10.00 H new ATOM 0 HG SER A 41 6.697 10.333 -2.419 1.00 10.00 H new ATOM 415 N LYS A 42 4.287 8.975 1.407 1.00 10.00 N ATOM 416 CA LYS A 42 3.929 8.624 2.775 1.00 10.00 C ATOM 417 C LYS A 42 2.597 7.891 2.803 1.00 10.00 C ATOM 418 O LYS A 42 2.383 7.008 3.629 1.00 10.00 O ATOM 419 CB LYS A 42 3.849 9.875 3.652 1.00 10.00 C ATOM 420 CG LYS A 42 5.154 10.214 4.349 1.00 10.00 C ATOM 421 CD LYS A 42 4.927 11.124 5.547 1.00 10.00 C ATOM 422 CE LYS A 42 6.122 11.095 6.489 1.00 10.00 C ATOM 423 NZ LYS A 42 5.865 11.846 7.742 1.00 10.00 N ATOM 0 H LYS A 42 4.267 9.976 1.212 1.00 10.00 H new ATOM 0 HA LYS A 42 4.705 7.968 3.170 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.546 10.721 3.036 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.072 9.733 4.403 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.642 9.296 4.676 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.828 10.700 3.644 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.754 12.144 5.205 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.030 10.810 6.082 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.367 10.061 6.731 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.991 11.519 5.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.436 11.443 8.512 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.122 12.845 7.607 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 4.857 11.778 7.987 1.00 10.00 H new ATOM 437 N LEU A 43 1.715 8.260 1.882 1.00 10.00 N ATOM 438 CA LEU A 43 0.397 7.649 1.786 1.00 10.00 C ATOM 439 C LEU A 43 0.520 6.175 1.413 1.00 10.00 C ATOM 440 O LEU A 43 -0.113 5.312 2.020 1.00 10.00 O ATOM 441 CB LEU A 43 -0.455 8.395 0.753 1.00 10.00 C ATOM 442 CG LEU A 43 -1.930 7.993 0.706 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.811 9.223 0.595 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.192 7.049 -0.457 1.00 10.00 C ATOM 0 H LEU A 43 1.892 8.985 1.187 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.093 7.717 2.757 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.394 9.463 0.960 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.021 8.236 -0.234 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.173 7.473 1.633 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.857 8.919 0.563 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.647 9.867 1.459 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.563 9.767 -0.316 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.247 6.775 -0.473 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.932 7.544 -1.393 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.586 6.151 -0.340 1.00 10.00 H new ATOM 456 N MET A 44 1.361 5.899 0.427 1.00 10.00 N ATOM 457 CA MET A 44 1.573 4.535 -0.035 1.00 10.00 C ATOM 458 C MET A 44 2.179 3.678 1.070 1.00 10.00 C ATOM 459 O MET A 44 1.687 2.592 1.364 1.00 10.00 O ATOM 460 CB MET A 44 2.482 4.523 -1.266 1.00 10.00 C ATOM 461 CG MET A 44 1.856 5.177 -2.489 1.00 10.00 C ATOM 462 SD MET A 44 2.809 4.903 -3.997 1.00 10.00 S ATOM 463 CE MET A 44 4.176 6.033 -3.750 1.00 10.00 C ATOM 0 H MET A 44 1.908 6.602 -0.069 1.00 10.00 H new ATOM 0 HA MET A 44 0.605 4.115 -0.307 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.413 5.037 -1.026 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.740 3.492 -1.507 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.847 4.787 -2.627 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.763 6.249 -2.314 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.871 5.951 -4.585 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.798 7.054 -3.691 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.692 5.783 -2.823 1.00 10.00 H new ATOM 473 N LYS A 45 3.227 4.196 1.698 1.00 10.00 N ATOM 474 CA LYS A 45 3.919 3.477 2.762 1.00 10.00 C ATOM 475 C LYS A 45 3.013 3.234 3.969 1.00 10.00 C ATOM 476 O LYS A 45 3.033 2.153 4.553 1.00 10.00 O ATOM 477 CB LYS A 45 5.173 4.243 3.187 1.00 10.00 C ATOM 478 CG LYS A 45 6.257 4.262 2.121 1.00 10.00 C ATOM 479 CD LYS A 45 7.461 5.076 2.563 1.00 10.00 C ATOM 480 CE LYS A 45 8.596 4.976 1.555 1.00 10.00 C ATOM 481 NZ LYS A 45 9.813 5.700 2.012 1.00 10.00 N ATOM 0 H LYS A 45 3.618 5.114 1.488 1.00 10.00 H new ATOM 0 HA LYS A 45 4.208 2.503 2.367 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.898 5.268 3.434 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.574 3.794 4.095 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.569 3.241 1.900 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.854 4.679 1.198 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.172 6.120 2.686 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.804 4.724 3.536 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.840 3.927 1.387 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.269 5.385 0.599 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.562 5.607 1.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.588 6.706 2.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.141 5.294 2.911 1.00 10.00 H new ATOM 495 N ALA A 46 2.209 4.232 4.325 1.00 10.00 N ATOM 496 CA ALA A 46 1.308 4.118 5.471 1.00 10.00 C ATOM 497 C ALA A 46 0.317 2.972 5.296 1.00 10.00 C ATOM 498 O ALA A 46 0.096 2.184 6.218 1.00 10.00 O ATOM 499 CB ALA A 46 0.563 5.422 5.695 1.00 10.00 C ATOM 0 H ALA A 46 2.162 5.127 3.839 1.00 10.00 H new ATOM 0 HA ALA A 46 1.920 3.902 6.347 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.103 5.318 6.552 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.279 6.222 5.886 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.022 5.664 4.808 1.00 10.00 H new ATOM 505 N TYR A 47 -0.273 2.874 4.109 1.00 10.00 N ATOM 506 CA TYR A 47 -1.234 1.812 3.835 1.00 10.00 C ATOM 507 C TYR A 47 -0.527 0.461 3.801 1.00 10.00 C ATOM 508 O TYR A 47 -1.084 -0.556 4.225 1.00 10.00 O ATOM 509 CB TYR A 47 -1.976 2.071 2.520 1.00 10.00 C ATOM 510 CG TYR A 47 -3.002 1.010 2.186 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.800 0.128 1.133 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.171 0.889 2.927 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.731 -0.846 0.831 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.107 -0.085 2.630 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.882 -0.946 1.577 1.00 10.00 C ATOM 516 OH TYR A 47 -5.803 -1.923 1.277 1.00 10.00 O ATOM 0 H TYR A 47 -0.105 3.510 3.329 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.972 1.799 4.637 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.472 3.040 2.577 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.251 2.132 1.709 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.900 0.205 0.541 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.352 1.567 3.748 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.556 -1.527 0.011 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.008 -0.171 3.219 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.627 -1.762 1.782 1.00 10.00 H new ATOM 526 N CYS A 48 0.708 0.457 3.307 1.00 10.00 N ATOM 527 CA CYS A 48 1.499 -0.764 3.244 1.00 10.00 C ATOM 528 C CYS A 48 1.747 -1.310 4.647 1.00 10.00 C ATOM 529 O CYS A 48 1.609 -2.509 4.888 1.00 10.00 O ATOM 530 CB CYS A 48 2.834 -0.507 2.541 1.00 10.00 C ATOM 531 SG CYS A 48 2.701 -0.321 0.748 1.00 10.00 S ATOM 0 H CYS A 48 1.180 1.286 2.945 1.00 10.00 H new ATOM 0 HA CYS A 48 0.939 -1.503 2.671 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.283 0.395 2.957 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.512 -1.331 2.761 1.00 10.00 H new ATOM 0 HG CYS A 48 2.264 0.870 0.467 1.00 10.00 H new ATOM 537 N GLU A 49 2.091 -0.422 5.574 1.00 10.00 N ATOM 538 CA GLU A 49 2.356 -0.815 6.954 1.00 10.00 C ATOM 539 C GLU A 49 1.085 -1.316 7.635 1.00 10.00 C ATOM 540 O GLU A 49 1.145 -2.144 8.545 1.00 10.00 O ATOM 541 CB GLU A 49 2.946 0.355 7.743 1.00 10.00 C ATOM 542 CG GLU A 49 4.250 0.879 7.165 1.00 10.00 C ATOM 543 CD GLU A 49 4.950 1.857 8.083 1.00 10.00 C ATOM 544 OE1 GLU A 49 4.302 2.813 8.558 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.161 1.676 8.329 1.00 10.00 O ATOM 0 H GLU A 49 2.193 0.577 5.394 1.00 10.00 H new ATOM 0 HA GLU A 49 3.081 -1.629 6.935 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.219 1.166 7.773 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.115 0.040 8.773 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.915 0.039 6.962 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.049 1.365 6.210 1.00 10.00 H new ATOM 552 N ARG A 50 -0.060 -0.813 7.185 1.00 10.00 N ATOM 553 CA ARG A 50 -1.350 -1.211 7.742 1.00 10.00 C ATOM 554 C ARG A 50 -1.655 -2.667 7.406 1.00 10.00 C ATOM 555 O ARG A 50 -2.081 -3.437 8.266 1.00 10.00 O ATOM 556 CB ARG A 50 -2.467 -0.316 7.201 1.00 10.00 C ATOM 557 CG ARG A 50 -3.289 0.367 8.281 1.00 10.00 C ATOM 558 CD ARG A 50 -2.497 1.470 8.961 1.00 10.00 C ATOM 559 NE ARG A 50 -2.657 1.457 10.412 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.765 1.835 11.053 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.862 2.153 10.373 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.786 1.850 12.381 1.00 10.00 N ATOM 0 H ARG A 50 -0.122 -0.126 6.433 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.297 -1.101 8.825 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.028 0.446 6.556 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.131 -0.917 6.579 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.195 0.784 7.842 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.603 -0.368 9.022 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.441 1.361 8.714 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.817 2.436 8.572 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.868 1.137 10.974 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -4.861 2.109 9.354 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.705 2.441 10.870 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.957 1.573 12.907 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.631 2.138 12.874 1.00 10.00 H new ATOM 576 N GLN A 51 -1.422 -3.041 6.155 1.00 10.00 N ATOM 577 CA GLN A 51 -1.686 -4.404 5.705 1.00 10.00 C ATOM 578 C GLN A 51 -0.482 -5.310 5.962 1.00 10.00 C ATOM 579 O GLN A 51 -0.560 -6.525 5.786 1.00 10.00 O ATOM 580 CB GLN A 51 -2.029 -4.419 4.214 1.00 10.00 C ATOM 581 CG GLN A 51 -3.214 -3.540 3.831 1.00 10.00 C ATOM 582 CD GLN A 51 -4.557 -4.217 4.047 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.735 -4.994 4.986 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.512 -3.928 3.175 1.00 10.00 N ATOM 0 H GLN A 51 -1.051 -2.422 5.434 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.536 -4.782 6.273 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.155 -4.095 3.649 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.241 -5.445 3.913 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.180 -2.621 4.416 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.123 -3.255 2.783 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.325 -3.279 2.410 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.434 -4.354 3.268 1.00 10.00 H new ATOM 593 N GLY A 52 0.629 -4.713 6.382 1.00 10.00 N ATOM 594 CA GLY A 52 1.836 -5.480 6.643 1.00 10.00 C ATOM 595 C GLY A 52 2.451 -6.012 5.363 1.00 10.00 C ATOM 596 O GLY A 52 3.003 -7.113 5.331 1.00 10.00 O ATOM 0 H GLY A 52 0.716 -3.710 6.547 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.561 -4.852 7.161 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.602 -6.312 7.307 1.00 10.00 H new ATOM 600 N LEU A 53 2.365 -5.214 4.307 1.00 10.00 N ATOM 601 CA LEU A 53 2.886 -5.599 3.007 1.00 10.00 C ATOM 602 C LEU A 53 3.971 -4.637 2.549 1.00 10.00 C ATOM 603 O LEU A 53 4.048 -3.503 3.022 1.00 10.00 O ATOM 604 CB LEU A 53 1.761 -5.619 1.970 1.00 10.00 C ATOM 605 CG LEU A 53 0.562 -6.505 2.315 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.550 -6.313 1.300 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.977 -7.966 2.383 1.00 10.00 C ATOM 0 H LEU A 53 1.935 -4.289 4.329 1.00 10.00 H new ATOM 0 HA LEU A 53 3.315 -6.597 3.102 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.406 -4.599 1.825 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.174 -5.952 1.018 1.00 10.00 H new ATOM 0 HG LEU A 53 0.188 -6.210 3.296 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.395 -6.951 1.561 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.868 -5.270 1.302 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.187 -6.580 0.308 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.110 -8.579 2.630 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.378 -8.276 1.418 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.741 -8.092 3.150 1.00 10.00 H new ATOM 619 N SER A 54 4.808 -5.096 1.631 1.00 10.00 N ATOM 620 CA SER A 54 5.875 -4.273 1.089 1.00 10.00 C ATOM 621 C SER A 54 5.317 -3.319 0.037 1.00 10.00 C ATOM 622 O SER A 54 4.346 -3.643 -0.658 1.00 10.00 O ATOM 623 CB SER A 54 6.967 -5.157 0.471 1.00 10.00 C ATOM 624 OG SER A 54 7.965 -4.375 -0.166 1.00 10.00 O ATOM 0 H SER A 54 4.767 -6.039 1.245 1.00 10.00 H new ATOM 0 HA SER A 54 6.313 -3.690 1.899 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.424 -5.771 1.248 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.520 -5.839 -0.252 1.00 10.00 H new ATOM 0 HG SER A 54 8.648 -4.965 -0.549 1.00 10.00 H new ATOM 630 N MET A 55 5.930 -2.149 -0.084 1.00 10.00 N ATOM 631 CA MET A 55 5.497 -1.152 -1.056 1.00 10.00 C ATOM 632 C MET A 55 5.718 -1.658 -2.481 1.00 10.00 C ATOM 633 O MET A 55 5.046 -1.229 -3.417 1.00 10.00 O ATOM 634 CB MET A 55 6.252 0.163 -0.834 1.00 10.00 C ATOM 635 CG MET A 55 5.975 1.220 -1.891 1.00 10.00 C ATOM 636 SD MET A 55 7.018 2.678 -1.700 1.00 10.00 S ATOM 637 CE MET A 55 6.865 3.413 -3.325 1.00 10.00 C ATOM 0 H MET A 55 6.731 -1.866 0.480 1.00 10.00 H new ATOM 0 HA MET A 55 4.431 -0.973 -0.918 1.00 10.00 H new ATOM 0 HB2 MET A 55 5.985 0.563 0.144 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.322 -0.043 -0.813 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.134 0.790 -2.880 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.928 1.517 -1.837 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.611 4.468 -3.225 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.811 3.317 -3.858 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.080 2.902 -3.883 1.00 10.00 H new ATOM 647 N ARG A 56 6.641 -2.601 -2.632 1.00 10.00 N ATOM 648 CA ARG A 56 6.951 -3.160 -3.941 1.00 10.00 C ATOM 649 C ARG A 56 5.947 -4.244 -4.342 1.00 10.00 C ATOM 650 O ARG A 56 5.937 -4.698 -5.486 1.00 10.00 O ATOM 651 CB ARG A 56 8.371 -3.736 -3.952 1.00 10.00 C ATOM 652 CG ARG A 56 8.882 -4.062 -5.349 1.00 10.00 C ATOM 653 CD ARG A 56 10.064 -5.013 -5.313 1.00 10.00 C ATOM 654 NE ARG A 56 10.104 -5.866 -6.498 1.00 10.00 N ATOM 655 CZ ARG A 56 10.937 -5.683 -7.526 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.810 -4.678 -7.513 1.00 10.00 N ATOM 657 NH2 ARG A 56 10.895 -6.508 -8.568 1.00 10.00 N ATOM 0 H ARG A 56 7.187 -2.994 -1.865 1.00 10.00 H new ATOM 0 HA ARG A 56 6.884 -2.351 -4.668 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.048 -3.022 -3.483 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.392 -4.641 -3.345 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.077 -4.506 -5.935 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.173 -3.140 -5.853 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.990 -4.441 -5.244 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.005 -5.634 -4.419 1.00 10.00 H new ATOM 0 HE ARG A 56 9.455 -6.651 -6.543 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.845 -4.043 -6.715 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.444 -4.543 -8.301 1.00 10.00 H new ATOM 0 HH21 ARG A 56 10.227 -7.279 -8.581 1.00 10.00 H new ATOM 0 HH22 ARG A 56 11.530 -6.370 -9.354 1.00 10.00 H new ATOM 671 N GLN A 57 5.091 -4.651 -3.415 1.00 10.00 N ATOM 672 CA GLN A 57 4.107 -5.688 -3.706 1.00 10.00 C ATOM 673 C GLN A 57 2.851 -5.102 -4.349 1.00 10.00 C ATOM 674 O GLN A 57 2.310 -5.660 -5.309 1.00 10.00 O ATOM 675 CB GLN A 57 3.728 -6.449 -2.431 1.00 10.00 C ATOM 676 CG GLN A 57 2.646 -7.499 -2.652 1.00 10.00 C ATOM 677 CD GLN A 57 2.176 -8.152 -1.365 1.00 10.00 C ATOM 678 OE1 GLN A 57 2.953 -8.344 -0.429 1.00 10.00 O ATOM 679 NE2 GLN A 57 0.899 -8.497 -1.303 1.00 10.00 N ATOM 0 H GLN A 57 5.056 -4.284 -2.464 1.00 10.00 H new ATOM 0 HA GLN A 57 4.564 -6.380 -4.413 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.617 -6.934 -2.028 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.385 -5.737 -1.680 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.794 -7.035 -3.149 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.027 -8.268 -3.324 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.284 -8.323 -2.098 1.00 10.00 H new ATOM 0 HE22 GLN A 57 0.530 -8.937 -0.460 1.00 10.00 H new ATOM 688 N ILE A 58 2.396 -3.973 -3.831 1.00 10.00 N ATOM 689 CA ILE A 58 1.187 -3.342 -4.344 1.00 10.00 C ATOM 690 C ILE A 58 1.499 -2.123 -5.211 1.00 10.00 C ATOM 691 O ILE A 58 2.635 -1.656 -5.262 1.00 10.00 O ATOM 692 CB ILE A 58 0.237 -2.936 -3.193 1.00 10.00 C ATOM 693 CG1 ILE A 58 0.952 -2.018 -2.199 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.295 -4.179 -2.488 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.066 -1.550 -1.062 1.00 10.00 C ATOM 0 H ILE A 58 2.841 -3.475 -3.060 1.00 10.00 H new ATOM 0 HA ILE A 58 0.691 -4.084 -4.970 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.605 -2.387 -3.615 1.00 10.00 H new ATOM 0 HG12 ILE A 58 1.813 -2.544 -1.785 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.336 -1.148 -2.732 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.963 -3.881 -1.680 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.842 -4.796 -3.201 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.538 -4.750 -2.078 1.00 10.00 H new ATOM 0 HD11 ILE A 58 0.639 -0.904 -0.397 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.782 -0.996 -1.466 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -0.297 -2.413 -0.505 1.00 10.00 H new ATOM 707 N ARG A 59 0.484 -1.638 -5.915 1.00 10.00 N ATOM 708 CA ARG A 59 0.613 -0.471 -6.784 1.00 10.00 C ATOM 709 C ARG A 59 -0.564 0.465 -6.560 1.00 10.00 C ATOM 710 O ARG A 59 -1.694 0.015 -6.385 1.00 10.00 O ATOM 711 CB ARG A 59 0.660 -0.883 -8.261 1.00 10.00 C ATOM 712 CG ARG A 59 1.870 -1.727 -8.634 1.00 10.00 C ATOM 713 CD ARG A 59 3.175 -0.970 -8.424 1.00 10.00 C ATOM 714 NE ARG A 59 4.329 -1.754 -8.863 1.00 10.00 N ATOM 715 CZ ARG A 59 4.884 -2.733 -8.146 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.455 -2.989 -6.916 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.884 -3.442 -8.653 1.00 10.00 N ATOM 0 H ARG A 59 -0.453 -2.041 -5.901 1.00 10.00 H new ATOM 0 HA ARG A 59 1.546 0.036 -6.537 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.246 -1.440 -8.500 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.654 0.016 -8.878 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.877 -2.637 -8.034 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.792 -2.034 -9.677 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.143 -0.029 -8.974 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.285 -0.719 -7.369 1.00 10.00 H new ATOM 0 HE ARG A 59 4.735 -1.539 -9.774 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.698 -2.436 -6.515 1.00 10.00 H new ATOM 0 HH12 ARG A 59 4.883 -3.739 -6.372 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.229 -3.239 -9.591 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.308 -4.190 -8.105 1.00 10.00 H new ATOM 731 N PHE A 60 -0.303 1.762 -6.565 1.00 10.00 N ATOM 732 CA PHE A 60 -1.356 2.747 -6.355 1.00 10.00 C ATOM 733 C PHE A 60 -1.696 3.468 -7.654 1.00 10.00 C ATOM 734 O PHE A 60 -0.805 3.834 -8.427 1.00 10.00 O ATOM 735 CB PHE A 60 -0.932 3.763 -5.295 1.00 10.00 C ATOM 736 CG PHE A 60 -0.932 3.218 -3.894 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.045 2.325 -3.480 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.913 3.594 -2.990 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.051 1.830 -2.192 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.913 3.099 -1.700 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.934 2.212 -1.302 1.00 10.00 C ATOM 0 H PHE A 60 0.625 2.158 -6.712 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.244 2.219 -6.009 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.068 4.126 -5.533 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.602 4.622 -5.340 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.811 2.013 -4.175 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.687 4.282 -3.298 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.825 1.145 -1.880 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.679 3.406 -1.003 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.938 1.817 -0.297 1.00 10.00 H new ATOM 751 N ARG A 61 -2.983 3.660 -7.891 1.00 10.00 N ATOM 752 CA ARG A 61 -3.444 4.339 -9.091 1.00 10.00 C ATOM 753 C ARG A 61 -4.410 5.466 -8.748 1.00 10.00 C ATOM 754 O ARG A 61 -5.297 5.309 -7.909 1.00 10.00 O ATOM 755 CB ARG A 61 -4.139 3.363 -10.040 1.00 10.00 C ATOM 756 CG ARG A 61 -3.202 2.395 -10.738 1.00 10.00 C ATOM 757 CD ARG A 61 -3.904 1.690 -11.886 1.00 10.00 C ATOM 758 NE ARG A 61 -3.122 0.576 -12.416 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.550 0.568 -13.625 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.638 1.628 -14.426 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.878 -0.502 -14.028 1.00 10.00 N ATOM 0 H ARG A 61 -3.729 3.354 -7.266 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.564 4.756 -9.581 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.879 2.793 -9.478 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.682 3.933 -10.794 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.332 2.933 -11.114 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.836 1.658 -10.023 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.872 1.322 -11.545 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.099 2.406 -12.684 1.00 10.00 H new ATOM 0 HE ARG A 61 -3.005 -0.248 -11.827 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.146 2.458 -14.120 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.198 1.610 -15.346 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.799 -1.315 -13.417 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.440 -0.512 -14.949 1.00 10.00 H new ATOM 775 N PHE A 62 -4.221 6.600 -9.397 1.00 10.00 N ATOM 776 CA PHE A 62 -5.081 7.750 -9.210 1.00 10.00 C ATOM 777 C PHE A 62 -5.814 8.032 -10.513 1.00 10.00 C ATOM 778 O PHE A 62 -5.239 8.600 -11.448 1.00 10.00 O ATOM 779 CB PHE A 62 -4.274 8.979 -8.775 1.00 10.00 C ATOM 780 CG PHE A 62 -5.070 10.256 -8.803 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.189 10.412 -8.002 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.705 11.296 -9.644 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.925 11.581 -8.035 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.436 12.467 -9.683 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.550 12.610 -8.878 1.00 10.00 C ATOM 0 H PHE A 62 -3.467 6.748 -10.068 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.800 7.533 -8.420 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.895 8.817 -7.766 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.407 9.085 -9.427 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.490 9.610 -7.344 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.837 11.189 -10.277 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.793 11.691 -7.402 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.138 13.269 -10.341 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.126 13.523 -8.908 1.00 10.00 H new ATOM 795 N ASP A 63 -7.066 7.588 -10.584 1.00 10.00 N ATOM 796 CA ASP A 63 -7.899 7.773 -11.773 1.00 10.00 C ATOM 797 C ASP A 63 -7.279 7.038 -12.960 1.00 10.00 C ATOM 798 O ASP A 63 -7.356 7.487 -14.104 1.00 10.00 O ATOM 799 CB ASP A 63 -8.079 9.265 -12.086 1.00 10.00 C ATOM 800 CG ASP A 63 -9.259 9.532 -13.000 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.369 9.044 -12.703 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.090 10.239 -14.013 1.00 10.00 O ATOM 0 H ASP A 63 -7.532 7.092 -9.824 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.886 7.354 -11.579 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.215 9.814 -11.154 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.170 9.647 -12.551 1.00 10.00 H new ATOM 807 N GLY A 64 -6.654 5.904 -12.668 1.00 10.00 N ATOM 808 CA GLY A 64 -6.022 5.105 -13.702 1.00 10.00 C ATOM 809 C GLY A 64 -4.519 5.296 -13.758 1.00 10.00 C ATOM 810 O GLY A 64 -3.765 4.326 -13.878 1.00 10.00 O ATOM 0 H GLY A 64 -6.573 5.521 -11.726 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.243 4.052 -13.527 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.453 5.365 -14.669 1.00 10.00 H new ATOM 814 N GLN A 65 -4.084 6.546 -13.651 1.00 10.00 N ATOM 815 CA GLN A 65 -2.663 6.881 -13.700 1.00 10.00 C ATOM 816 C GLN A 65 -1.941 6.425 -12.433 1.00 10.00 C ATOM 817 O GLN A 65 -2.408 6.684 -11.326 1.00 10.00 O ATOM 818 CB GLN A 65 -2.486 8.393 -13.874 1.00 10.00 C ATOM 819 CG GLN A 65 -2.982 8.917 -15.213 1.00 10.00 C ATOM 820 CD GLN A 65 -2.195 8.355 -16.377 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.559 7.331 -16.955 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.108 9.020 -16.729 1.00 10.00 N ATOM 0 H GLN A 65 -4.699 7.351 -13.529 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.226 6.359 -14.551 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.018 8.907 -13.073 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.430 8.641 -13.765 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.035 8.662 -15.333 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.914 10.005 -15.223 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.841 9.865 -16.224 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.536 8.688 -17.506 1.00 10.00 H new ATOM 831 N PRO A 66 -0.804 5.724 -12.574 1.00 10.00 N ATOM 832 CA PRO A 66 -0.023 5.256 -11.425 1.00 10.00 C ATOM 833 C PRO A 66 0.582 6.419 -10.645 1.00 10.00 C ATOM 834 O PRO A 66 1.066 7.386 -11.235 1.00 10.00 O ATOM 835 CB PRO A 66 1.089 4.400 -12.053 1.00 10.00 C ATOM 836 CG PRO A 66 0.664 4.158 -13.461 1.00 10.00 C ATOM 837 CD PRO A 66 -0.191 5.327 -13.849 1.00 10.00 C ATOM 0 HA PRO A 66 -0.638 4.706 -10.712 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.048 4.916 -12.017 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.212 3.461 -11.514 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.529 4.073 -14.119 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.107 3.225 -13.544 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.400 6.134 -14.281 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.942 5.050 -14.589 1.00 10.00 H new ATOM 845 N ILE A 67 0.544 6.326 -9.323 1.00 10.00 N ATOM 846 CA ILE A 67 1.094 7.371 -8.468 1.00 10.00 C ATOM 847 C ILE A 67 2.618 7.270 -8.421 1.00 10.00 C ATOM 848 O ILE A 67 3.172 6.179 -8.266 1.00 10.00 O ATOM 849 CB ILE A 67 0.516 7.288 -7.036 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.995 7.544 -7.061 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.214 8.280 -6.111 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.639 7.565 -5.689 1.00 10.00 C ATOM 0 H ILE A 67 0.138 5.538 -8.818 1.00 10.00 H new ATOM 0 HA ILE A 67 0.811 8.333 -8.894 1.00 10.00 H new ATOM 0 HB ILE A 67 0.694 6.285 -6.649 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.184 8.498 -7.554 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.474 6.773 -7.664 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.791 8.203 -5.109 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.280 8.054 -6.073 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.071 9.292 -6.489 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.708 7.752 -5.792 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.484 6.604 -5.199 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.189 8.355 -5.088 1.00 10.00 H new ATOM 864 N ASN A 68 3.288 8.402 -8.579 1.00 10.00 N ATOM 865 CA ASN A 68 4.746 8.443 -8.560 1.00 10.00 C ATOM 866 C ASN A 68 5.263 8.519 -7.120 1.00 10.00 C ATOM 867 O ASN A 68 4.558 8.976 -6.221 1.00 10.00 O ATOM 868 CB ASN A 68 5.244 9.648 -9.374 1.00 10.00 C ATOM 869 CG ASN A 68 6.755 9.803 -9.361 1.00 10.00 C ATOM 870 OD1 ASN A 68 7.500 8.820 -9.372 1.00 10.00 O ATOM 871 ND2 ASN A 68 7.222 11.044 -9.322 1.00 10.00 N ATOM 0 H ASN A 68 2.844 9.309 -8.723 1.00 10.00 H new ATOM 0 HA ASN A 68 5.130 7.528 -9.011 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.906 9.545 -10.405 1.00 10.00 H new ATOM 0 HB3 ASN A 68 4.790 10.557 -8.979 1.00 10.00 H new ATOM 0 HD21 ASN A 68 8.228 11.210 -9.300 1.00 10.00 H new ATOM 0 HD22 ASN A 68 6.575 11.832 -9.314 1.00 10.00 H new ATOM 878 N GLU A 69 6.490 8.057 -6.903 1.00 10.00 N ATOM 879 CA GLU A 69 7.100 8.089 -5.579 1.00 10.00 C ATOM 880 C GLU A 69 7.308 9.532 -5.131 1.00 10.00 C ATOM 881 O GLU A 69 7.179 9.854 -3.955 1.00 10.00 O ATOM 882 CB GLU A 69 8.436 7.338 -5.584 1.00 10.00 C ATOM 883 CG GLU A 69 8.299 5.846 -5.842 1.00 10.00 C ATOM 884 CD GLU A 69 9.637 5.133 -5.861 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.118 4.720 -4.784 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.222 4.987 -6.955 1.00 10.00 O ATOM 0 H GLU A 69 7.083 7.655 -7.629 1.00 10.00 H new ATOM 0 HA GLU A 69 6.429 7.595 -4.876 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.083 7.771 -6.347 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.930 7.488 -4.624 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.667 5.404 -5.072 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.795 5.691 -6.796 1.00 10.00 H new ATOM 893 N THR A 70 7.618 10.395 -6.083 1.00 10.00 N ATOM 894 CA THR A 70 7.828 11.807 -5.805 1.00 10.00 C ATOM 895 C THR A 70 6.577 12.613 -6.150 1.00 10.00 C ATOM 896 O THR A 70 6.659 13.763 -6.591 1.00 10.00 O ATOM 897 CB THR A 70 9.019 12.343 -6.614 1.00 10.00 C ATOM 898 OG1 THR A 70 9.540 11.305 -7.456 1.00 10.00 O ATOM 899 CG2 THR A 70 10.112 12.848 -5.692 1.00 10.00 C ATOM 0 H THR A 70 7.731 10.140 -7.064 1.00 10.00 H new ATOM 0 HA THR A 70 8.040 11.913 -4.741 1.00 10.00 H new ATOM 0 HB THR A 70 8.672 13.173 -7.229 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.298 11.651 -7.971 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.945 13.223 -6.287 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.720 13.652 -5.069 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.458 12.033 -5.057 1.00 10.00 H new ATOM 907 N ASP A 71 5.420 12.004 -5.939 1.00 10.00 N ATOM 908 CA ASP A 71 4.148 12.645 -6.245 1.00 10.00 C ATOM 909 C ASP A 71 3.605 13.405 -5.043 1.00 10.00 C ATOM 910 O ASP A 71 4.001 13.159 -3.901 1.00 10.00 O ATOM 911 CB ASP A 71 3.129 11.603 -6.692 1.00 10.00 C ATOM 912 CG ASP A 71 2.378 12.031 -7.928 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.004 13.221 -8.009 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.173 11.176 -8.819 1.00 10.00 O ATOM 0 H ASP A 71 5.335 11.063 -5.555 1.00 10.00 H new ATOM 0 HA ASP A 71 4.322 13.358 -7.051 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.639 10.660 -6.888 1.00 10.00 H new ATOM 0 HB3 ASP A 71 2.421 11.421 -5.884 1.00 10.00 H new ATOM 919 N THR A 72 2.682 14.315 -5.311 1.00 10.00 N ATOM 920 CA THR A 72 2.068 15.122 -4.272 1.00 10.00 C ATOM 921 C THR A 72 0.601 15.406 -4.617 1.00 10.00 C ATOM 922 O THR A 72 0.235 15.436 -5.792 1.00 10.00 O ATOM 923 CB THR A 72 2.823 16.460 -4.073 1.00 10.00 C ATOM 924 OG1 THR A 72 3.652 16.747 -5.208 1.00 10.00 O ATOM 925 CG2 THR A 72 3.683 16.414 -2.819 1.00 10.00 C ATOM 0 H THR A 72 2.339 14.513 -6.251 1.00 10.00 H new ATOM 0 HA THR A 72 2.121 14.557 -3.341 1.00 10.00 H new ATOM 0 HB THR A 72 2.078 17.248 -3.965 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.120 17.596 -5.065 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.204 17.364 -2.700 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.050 16.236 -1.950 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.413 15.609 -2.908 1.00 10.00 H new ATOM 933 N PRO A 73 -0.261 15.615 -3.602 1.00 10.00 N ATOM 934 CA PRO A 73 -1.690 15.893 -3.819 1.00 10.00 C ATOM 935 C PRO A 73 -1.924 17.072 -4.760 1.00 10.00 C ATOM 936 O PRO A 73 -2.777 17.012 -5.650 1.00 10.00 O ATOM 937 CB PRO A 73 -2.208 16.221 -2.415 1.00 10.00 C ATOM 938 CG PRO A 73 -1.259 15.549 -1.490 1.00 10.00 C ATOM 939 CD PRO A 73 0.081 15.589 -2.168 1.00 10.00 C ATOM 0 HA PRO A 73 -2.196 15.051 -4.291 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.231 17.297 -2.244 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.224 15.854 -2.273 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.225 16.060 -0.528 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.567 14.522 -1.294 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.653 16.470 -1.876 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.685 14.718 -1.915 1.00 10.00 H new ATOM 947 N ALA A 74 -1.154 18.136 -4.567 1.00 10.00 N ATOM 948 CA ALA A 74 -1.278 19.327 -5.397 1.00 10.00 C ATOM 949 C ALA A 74 -0.699 19.095 -6.789 1.00 10.00 C ATOM 950 O ALA A 74 -1.078 19.764 -7.748 1.00 10.00 O ATOM 951 CB ALA A 74 -0.596 20.509 -4.730 1.00 10.00 C ATOM 0 H ALA A 74 -0.438 18.198 -3.843 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.339 19.549 -5.509 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.697 21.391 -5.362 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.062 20.700 -3.763 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.461 20.285 -4.586 1.00 10.00 H new ATOM 957 N GLN A 75 0.213 18.137 -6.895 1.00 10.00 N ATOM 958 CA GLN A 75 0.839 17.811 -8.173 1.00 10.00 C ATOM 959 C GLN A 75 -0.190 17.223 -9.127 1.00 10.00 C ATOM 960 O GLN A 75 -0.305 17.646 -10.277 1.00 10.00 O ATOM 961 CB GLN A 75 1.996 16.827 -7.962 1.00 10.00 C ATOM 962 CG GLN A 75 2.583 16.266 -9.251 1.00 10.00 C ATOM 963 CD GLN A 75 3.208 17.332 -10.126 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.714 18.343 -9.635 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.177 17.111 -11.432 1.00 10.00 N ATOM 0 H GLN A 75 0.537 17.571 -6.111 1.00 10.00 H new ATOM 0 HA GLN A 75 1.238 18.726 -8.612 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.787 17.328 -7.404 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.646 15.999 -7.345 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.336 15.517 -9.006 1.00 10.00 H new ATOM 0 HG3 GLN A 75 1.798 15.758 -9.811 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.748 16.260 -11.795 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.582 17.792 -12.074 1.00 10.00 H new ATOM 974 N LEU A 76 -0.954 16.262 -8.632 1.00 10.00 N ATOM 975 CA LEU A 76 -1.980 15.615 -9.436 1.00 10.00 C ATOM 976 C LEU A 76 -3.283 16.412 -9.406 1.00 10.00 C ATOM 977 O LEU A 76 -4.287 15.987 -9.983 1.00 10.00 O ATOM 978 CB LEU A 76 -2.220 14.187 -8.940 1.00 10.00 C ATOM 979 CG LEU A 76 -1.073 13.207 -9.208 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.316 11.890 -8.489 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.905 12.973 -10.705 1.00 10.00 C ATOM 0 H LEU A 76 -0.883 15.912 -7.676 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.629 15.577 -10.467 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.408 14.218 -7.867 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.124 13.802 -9.411 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.153 13.646 -8.823 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.491 11.207 -8.692 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.384 12.069 -7.416 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.247 11.448 -8.843 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.086 12.274 -10.874 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.826 12.558 -11.114 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.683 13.919 -11.198 1.00 10.00 H new ATOM 993 N GLU A 77 -3.249 17.569 -8.737 1.00 10.00 N ATOM 994 CA GLU A 77 -4.416 18.450 -8.621 1.00 10.00 C ATOM 995 C GLU A 77 -5.602 17.717 -7.995 1.00 10.00 C ATOM 996 O GLU A 77 -6.739 17.840 -8.454 1.00 10.00 O ATOM 997 CB GLU A 77 -4.805 19.007 -9.994 1.00 10.00 C ATOM 998 CG GLU A 77 -3.902 20.131 -10.472 1.00 10.00 C ATOM 999 CD GLU A 77 -4.282 21.473 -9.882 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.756 21.830 -8.811 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -5.106 22.183 -10.497 1.00 10.00 O ATOM 0 H GLU A 77 -2.417 17.920 -8.263 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.145 19.279 -7.967 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.782 18.198 -10.725 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.832 19.370 -9.952 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.870 19.901 -10.207 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.946 20.190 -11.559 1.00 10.00 H new ATOM 1008 N MET A 78 -5.325 16.972 -6.935 1.00 10.00 N ATOM 1009 CA MET A 78 -6.352 16.204 -6.243 1.00 10.00 C ATOM 1010 C MET A 78 -7.217 17.110 -5.375 1.00 10.00 C ATOM 1011 O MET A 78 -6.798 18.207 -4.998 1.00 10.00 O ATOM 1012 CB MET A 78 -5.708 15.123 -5.369 1.00 10.00 C ATOM 1013 CG MET A 78 -4.786 14.184 -6.132 1.00 10.00 C ATOM 1014 SD MET A 78 -4.038 12.935 -5.069 1.00 10.00 S ATOM 1015 CE MET A 78 -5.470 11.935 -4.678 1.00 10.00 C ATOM 0 H MET A 78 -4.392 16.882 -6.533 1.00 10.00 H new ATOM 0 HA MET A 78 -6.983 15.733 -6.996 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.142 15.604 -4.571 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.495 14.537 -4.893 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.349 13.692 -6.925 1.00 10.00 H new ATOM 0 HG3 MET A 78 -3.999 14.765 -6.614 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.577 11.860 -3.596 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.363 12.397 -5.099 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.344 10.938 -5.100 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.417 16.647 -5.060 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.336 17.412 -4.231 1.00 10.00 C ATOM 1027 C GLU A 79 -9.779 16.587 -3.026 1.00 10.00 C ATOM 1028 O GLU A 79 -9.411 15.420 -2.895 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.548 17.858 -5.048 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.647 19.370 -5.200 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.515 20.092 -3.875 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.319 19.819 -2.958 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.598 20.926 -3.740 1.00 10.00 O ATOM 0 H GLU A 79 -8.778 15.744 -5.367 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.818 18.300 -3.870 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.499 17.403 -6.037 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.455 17.487 -4.571 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.868 19.716 -5.879 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.604 19.625 -5.656 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.564 17.196 -2.147 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.043 16.510 -0.952 1.00 10.00 C ATOM 1042 C ASP A 80 -12.039 15.417 -1.317 1.00 10.00 C ATOM 1043 O ASP A 80 -12.882 15.605 -2.197 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.684 17.501 0.021 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.912 16.901 1.395 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.063 16.545 1.709 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -10.938 16.793 2.172 1.00 10.00 O ATOM 0 H ASP A 80 -10.882 18.161 -2.238 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.184 16.048 -0.465 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.045 18.379 0.113 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.636 17.841 -0.386 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.911 14.281 -0.638 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.765 13.119 -0.853 1.00 10.00 C ATOM 1054 C GLU A 81 -12.471 12.474 -2.198 1.00 10.00 C ATOM 1055 O GLU A 81 -13.357 11.890 -2.828 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.245 13.475 -0.736 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.685 13.721 0.695 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.186 13.804 0.833 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.712 14.928 0.951 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.848 12.746 0.817 1.00 10.00 O ATOM 0 H GLU A 81 -11.204 14.141 0.084 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.539 12.398 -0.067 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.447 14.366 -1.330 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.842 12.667 -1.160 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.309 12.919 1.330 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.239 14.648 1.055 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.216 12.576 -2.625 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.781 11.991 -3.889 1.00 10.00 C ATOM 1069 C ASP A 82 -10.699 10.471 -3.753 1.00 10.00 C ATOM 1070 O ASP A 82 -10.914 9.934 -2.665 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.429 12.564 -4.319 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.339 12.748 -5.818 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.713 11.811 -6.554 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -8.901 13.829 -6.263 1.00 10.00 O ATOM 0 H ASP A 82 -10.480 13.060 -2.112 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.511 12.241 -4.659 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.269 13.523 -3.826 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.632 11.899 -3.987 1.00 10.00 H new ATOM 1079 N THR A 83 -10.369 9.781 -4.835 1.00 10.00 N ATOM 1080 CA THR A 83 -10.305 8.325 -4.802 1.00 10.00 C ATOM 1081 C THR A 83 -8.977 7.778 -5.324 1.00 10.00 C ATOM 1082 O THR A 83 -8.465 8.225 -6.352 1.00 10.00 O ATOM 1083 CB THR A 83 -11.453 7.719 -5.633 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.587 8.598 -5.603 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.851 6.353 -5.097 1.00 10.00 C ATOM 0 H THR A 83 -10.143 10.199 -5.738 1.00 10.00 H new ATOM 0 HA THR A 83 -10.398 8.038 -3.755 1.00 10.00 H new ATOM 0 HB THR A 83 -11.107 7.598 -6.660 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.315 8.211 -6.133 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.663 5.948 -5.701 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.994 5.681 -5.142 1.00 10.00 H new ATOM 0 HG23 THR A 83 -12.182 6.450 -4.063 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.431 6.809 -4.598 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.182 6.158 -4.975 1.00 10.00 C ATOM 1095 C ILE A 84 -7.381 4.644 -4.972 1.00 10.00 C ATOM 1096 O ILE A 84 -7.934 4.085 -4.020 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.025 6.524 -4.014 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.790 8.037 -4.002 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.746 5.797 -4.413 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.752 8.483 -2.993 1.00 10.00 C ATOM 0 H ILE A 84 -8.840 6.453 -3.734 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.911 6.507 -5.972 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.306 6.208 -3.009 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.478 8.355 -4.997 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.733 8.541 -3.788 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.944 6.067 -3.726 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.912 4.720 -4.372 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.466 6.083 -5.427 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.639 9.566 -3.042 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.072 8.196 -1.991 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.797 8.008 -3.219 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.937 3.986 -6.031 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.088 2.539 -6.153 1.00 10.00 C ATOM 1114 C ASP A 85 -5.786 1.829 -5.802 1.00 10.00 C ATOM 1115 O ASP A 85 -4.698 2.335 -6.089 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.505 2.172 -7.576 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.618 1.146 -7.618 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.515 0.114 -6.925 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.605 1.367 -8.355 1.00 10.00 O ATOM 0 H ASP A 85 -6.468 4.429 -6.821 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.861 2.217 -5.455 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.828 3.073 -8.098 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.640 1.784 -8.114 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.898 0.660 -5.180 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.725 -0.120 -4.793 1.00 10.00 C ATOM 1126 C VAL A 86 -4.747 -1.489 -5.459 1.00 10.00 C ATOM 1127 O VAL A 86 -5.638 -2.299 -5.204 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.639 -0.321 -3.265 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.271 -0.859 -2.875 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.935 0.971 -2.528 1.00 10.00 C ATOM 0 H VAL A 86 -6.789 0.230 -4.932 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.854 0.447 -5.122 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.394 -1.052 -2.977 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.228 -0.995 -1.794 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.103 -1.816 -3.368 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.501 -0.152 -3.183 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.868 0.801 -1.454 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -4.211 1.731 -2.821 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.940 1.311 -2.779 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.756 -1.747 -6.297 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.659 -3.015 -7.011 1.00 10.00 C ATOM 1142 C PHE A 87 -2.458 -3.813 -6.521 1.00 10.00 C ATOM 1143 O PHE A 87 -1.630 -3.299 -5.770 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.538 -2.763 -8.516 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.783 -2.191 -9.133 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.787 -3.027 -9.580 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.947 -0.822 -9.263 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.937 -2.512 -10.144 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.097 -0.302 -9.828 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.092 -1.149 -10.269 1.00 10.00 C ATOM 0 H PHE A 87 -3.002 -1.092 -6.502 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.564 -3.591 -6.817 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.707 -2.081 -8.696 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.294 -3.701 -9.014 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.671 -4.097 -9.487 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.170 -0.155 -8.920 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.715 -3.178 -10.487 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.216 0.767 -9.924 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.991 -0.745 -10.711 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.368 -5.065 -6.939 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.264 -5.929 -6.549 1.00 10.00 C ATOM 1162 C GLN A 88 -0.566 -6.479 -7.784 1.00 10.00 C ATOM 1163 O GLN A 88 -1.210 -6.743 -8.801 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.758 -7.092 -5.685 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.550 -6.666 -4.463 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.263 -7.543 -3.263 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.143 -8.017 -3.082 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -3.273 -7.777 -2.442 1.00 10.00 N ATOM 0 H GLN A 88 -3.051 -5.509 -7.553 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.561 -5.333 -5.967 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.379 -7.746 -6.297 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.899 -7.680 -5.361 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.311 -5.631 -4.220 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.615 -6.702 -4.691 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -4.187 -7.365 -2.628 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -3.138 -8.370 -1.623 1.00 10.00 H new ATOM 1177 N GLN A 89 0.744 -6.652 -7.698 1.00 10.00 N ATOM 1178 CA GLN A 89 1.513 -7.180 -8.813 1.00 10.00 C ATOM 1179 C GLN A 89 1.364 -8.697 -8.886 1.00 10.00 C ATOM 1180 O GLN A 89 1.022 -9.343 -7.895 1.00 10.00 O ATOM 1181 CB GLN A 89 2.988 -6.796 -8.671 1.00 10.00 C ATOM 1182 CG GLN A 89 3.694 -6.567 -9.999 1.00 10.00 C ATOM 1183 CD GLN A 89 3.087 -5.427 -10.798 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.469 -4.269 -10.640 1.00 10.00 O ATOM 1185 NE2 GLN A 89 2.154 -5.748 -11.680 1.00 10.00 N ATOM 0 H GLN A 89 1.296 -6.435 -6.868 1.00 10.00 H new ATOM 0 HA GLN A 89 1.129 -6.747 -9.737 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.061 -5.890 -8.070 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.508 -7.583 -8.125 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.747 -6.355 -9.814 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.652 -7.482 -10.590 1.00 10.00 H new ATOM 0 HE21 GLN A 89 1.862 -6.720 -11.783 1.00 10.00 H new ATOM 0 HE22 GLN A 89 1.726 -5.023 -12.257 1.00 10.00 H new ATOM 1194 N GLN A 90 1.606 -9.255 -10.063 1.00 10.00 N ATOM 1195 CA GLN A 90 1.495 -10.692 -10.275 1.00 10.00 C ATOM 1196 C GLN A 90 2.592 -11.440 -9.528 1.00 10.00 C ATOM 1197 O GLN A 90 3.713 -10.950 -9.389 1.00 10.00 O ATOM 1198 CB GLN A 90 1.576 -11.033 -11.766 1.00 10.00 C ATOM 1199 CG GLN A 90 0.463 -10.427 -12.605 1.00 10.00 C ATOM 1200 CD GLN A 90 0.849 -9.094 -13.218 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.623 -8.327 -12.639 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.320 -8.815 -14.395 1.00 10.00 N ATOM 0 H GLN A 90 1.883 -8.730 -10.893 1.00 10.00 H new ATOM 0 HA GLN A 90 0.524 -11.004 -9.889 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.536 -10.691 -12.154 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.554 -12.117 -11.881 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.193 -11.123 -13.400 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.423 -10.293 -11.984 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -0.316 -9.478 -14.838 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.547 -7.936 -14.861 1.00 10.00 H new ATOM 1211 N THR A 91 2.264 -12.632 -9.054 1.00 10.00 N ATOM 1212 CA THR A 91 3.220 -13.457 -8.330 1.00 10.00 C ATOM 1213 C THR A 91 4.003 -14.341 -9.302 1.00 10.00 C ATOM 1214 O THR A 91 5.003 -14.966 -8.938 1.00 10.00 O ATOM 1215 CB THR A 91 2.504 -14.334 -7.284 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.352 -13.640 -6.777 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.433 -14.681 -6.130 1.00 10.00 C ATOM 0 H THR A 91 1.340 -13.051 -9.158 1.00 10.00 H new ATOM 0 HA THR A 91 3.915 -12.796 -7.812 1.00 10.00 H new ATOM 0 HB THR A 91 2.197 -15.260 -7.770 1.00 10.00 H new ATOM 0 HG1 THR A 91 0.898 -14.201 -6.114 1.00 10.00 H new ATOM 0 HG21 THR A 91 2.901 -15.300 -5.408 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.296 -15.227 -6.510 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.768 -13.764 -5.645 1.00 10.00 H new ATOM 1225 N GLY A 92 3.543 -14.371 -10.543 1.00 10.00 N ATOM 1226 CA GLY A 92 4.183 -15.160 -11.570 1.00 10.00 C ATOM 1227 C GLY A 92 3.284 -15.315 -12.771 1.00 10.00 C ATOM 1228 O GLY A 92 2.356 -14.495 -12.917 1.00 10.00 O ATOM 0 H GLY A 92 2.723 -13.853 -10.859 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.117 -14.685 -11.869 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.438 -16.143 -11.173 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.322 -3.379 4.875 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.560 -2.117 4.848 1.00 10.00 C ATOM 1235 C ASN B 357 -17.467 -2.149 5.898 1.00 10.00 C ATOM 1236 O ASN B 357 -17.747 -2.270 7.089 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.489 -0.923 5.104 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.746 0.407 5.114 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.823 0.625 4.325 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.132 1.303 6.015 1.00 10.00 N ATOM 0 HA ASN B 357 -18.109 -2.006 3.862 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.262 -0.897 4.335 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.995 -1.059 6.060 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.661 2.206 6.070 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.899 1.088 6.652 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.223 -2.022 5.452 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.082 -2.035 6.355 1.00 10.00 C ATOM 1249 C ASN B 358 -14.346 -0.707 6.266 1.00 10.00 C ATOM 1250 O ASN B 358 -13.985 -0.255 5.182 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.141 -3.199 6.004 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.906 -3.250 6.883 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.913 -2.778 8.022 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.835 -3.831 6.361 1.00 10.00 N ATOM 0 H ASN B 358 -15.980 -1.909 4.468 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.433 -2.176 7.377 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.685 -4.139 6.097 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.835 -3.109 4.962 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.976 -3.900 6.906 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.870 -4.209 5.414 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.125 -0.094 7.416 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.457 1.194 7.487 1.00 10.00 C ATOM 1263 C ARG B 359 -12.198 1.133 8.345 1.00 10.00 C ATOM 1264 O ARG B 359 -12.213 0.639 9.473 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.421 2.240 8.046 1.00 10.00 C ATOM 1266 CG ARG B 359 -15.103 1.795 9.330 1.00 10.00 C ATOM 1267 CD ARG B 359 -16.131 2.804 9.796 1.00 10.00 C ATOM 1268 NE ARG B 359 -17.041 2.235 10.786 1.00 10.00 N ATOM 1269 CZ ARG B 359 -18.061 2.897 11.315 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -18.295 4.154 10.959 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.850 2.300 12.198 1.00 10.00 N ATOM 0 H ARG B 359 -14.402 -0.472 8.322 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.153 1.472 6.478 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.876 3.165 8.233 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.180 2.463 7.297 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.586 0.831 9.171 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.354 1.652 10.109 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.623 3.669 10.224 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.703 3.162 8.940 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.883 1.274 11.088 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.690 4.612 10.278 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -19.080 4.662 11.367 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.672 1.333 12.469 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -19.635 2.808 12.606 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.110 1.611 7.782 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.829 1.677 8.469 1.00 10.00 C ATOM 1287 C ASP B 360 -9.354 3.125 8.465 1.00 10.00 C ATOM 1288 O ASP B 360 -9.435 3.793 7.434 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.783 0.760 7.822 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.462 0.758 8.581 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.424 1.107 7.978 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.459 0.411 9.783 1.00 10.00 O ATOM 0 H ASP B 360 -11.084 1.969 6.827 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.958 1.326 9.493 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.174 -0.256 7.776 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.608 1.081 6.795 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.865 3.663 9.586 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.425 5.039 9.644 1.00 10.00 C ATOM 1299 C PRO B 361 -6.906 5.163 9.745 1.00 10.00 C ATOM 1300 O PRO B 361 -6.256 4.573 10.611 1.00 10.00 O ATOM 1301 CB PRO B 361 -9.073 5.482 10.960 1.00 10.00 C ATOM 1302 CG PRO B 361 -9.130 4.236 11.809 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.809 3.056 10.912 1.00 10.00 C ATOM 0 HA PRO B 361 -8.692 5.619 8.761 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.487 6.263 11.445 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -10.070 5.890 10.791 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.416 4.299 12.630 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -10.118 4.121 12.255 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.827 2.634 11.127 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.534 2.249 11.023 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.346 5.955 8.841 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.911 6.161 8.777 1.00 10.00 C ATOM 1313 C ILE B 362 -4.571 7.629 8.987 1.00 10.00 C ATOM 1314 O ILE B 362 -5.191 8.522 8.408 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.313 5.664 7.435 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.779 4.226 7.152 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.789 5.739 7.464 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.994 3.512 6.068 1.00 10.00 C ATOM 0 H ILE B 362 -6.873 6.469 8.136 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.465 5.572 9.578 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.668 6.311 6.633 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.711 3.647 8.073 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.831 4.248 6.867 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.389 5.386 6.513 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.479 6.771 7.627 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.409 5.114 8.272 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.390 2.505 5.935 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.082 4.063 5.132 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.945 3.454 6.357 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.591 7.860 9.828 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.154 9.199 10.154 1.00 10.00 C ATOM 1332 C VAL B 363 -1.748 9.400 9.634 1.00 10.00 C ATOM 1333 O VAL B 363 -0.889 8.526 9.749 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.201 9.467 11.677 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.908 10.927 11.989 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.552 9.061 12.248 1.00 10.00 C ATOM 0 H VAL B 363 -3.072 7.124 10.307 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.835 9.906 9.680 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.426 8.862 12.148 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.948 11.084 13.067 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.915 11.185 11.622 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.651 11.559 11.502 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.567 9.256 13.320 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.340 9.637 11.763 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.718 7.998 12.070 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.544 10.550 9.046 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.286 10.917 8.441 1.00 10.00 C ATOM 1348 C ILE B 364 0.373 12.002 9.266 1.00 10.00 C ATOM 1349 O ILE B 364 -0.304 12.860 9.843 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.463 11.374 6.971 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.469 10.574 6.061 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.213 12.871 6.806 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.365 9.081 6.270 1.00 10.00 C ATOM 0 H ILE B 364 -2.260 11.273 8.972 1.00 10.00 H new ATOM 0 HA ILE B 364 0.355 10.035 8.423 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.498 11.185 6.685 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.239 10.806 5.021 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.498 10.889 6.238 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.348 13.149 5.761 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.918 13.428 7.423 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.805 13.106 7.116 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.051 8.570 5.594 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.623 8.839 7.301 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.655 8.755 6.066 1.00 10.00 H new HETATM 1365 N SEP B 365 1.687 11.953 9.344 1.00 10.00 N HETATM 1366 CA SEP B 365 2.411 12.886 10.166 1.00 10.00 C HETATM 1367 CB SEP B 365 3.519 12.113 10.877 1.00 10.00 C HETATM 1368 OG SEP B 365 4.287 11.406 9.905 1.00 10.00 O HETATM 1369 C SEP B 365 3.038 13.945 9.286 1.00 10.00 C HETATM 1370 O SEP B 365 3.751 13.655 8.318 1.00 10.00 O HETATM 1371 P SEP B 365 4.958 9.991 10.215 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.509 8.902 9.330 1.00 10.00 O HETATM 1373 O2P SEP B 365 4.980 9.624 11.640 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.494 10.198 9.821 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.157 12.797 11.436 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.090 11.417 11.598 1.00 10.00 H new HETATM 0 HA SEP B 365 1.744 13.362 10.885 1.00 10.00 H new HETATM 0 H SEP B 365 1.962 10.971 9.324 1.00 10.00 H new ATOM 1379 N ASP B 366 2.705 15.176 9.615 1.00 10.00 N ATOM 1380 CA ASP B 366 3.169 16.328 8.882 1.00 10.00 C ATOM 1381 C ASP B 366 3.858 17.307 9.818 1.00 10.00 C ATOM 1382 O ASP B 366 3.340 17.600 10.898 1.00 10.00 O ATOM 1383 CB ASP B 366 1.980 16.984 8.194 1.00 10.00 C ATOM 1384 CG ASP B 366 2.388 17.847 7.027 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.146 19.072 7.081 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.931 17.306 6.044 1.00 10.00 O ATOM 0 H ASP B 366 2.100 15.403 10.405 1.00 10.00 H new ATOM 0 HA ASP B 366 3.895 16.019 8.130 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.294 16.211 7.847 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.436 17.591 8.918 1.00 10.00 H new HETATM 1391 N SEP B 367 5.030 17.777 9.437 1.00 10.00 N HETATM 1392 CA SEP B 367 5.765 18.732 10.246 1.00 10.00 C HETATM 1393 CB SEP B 367 7.141 18.956 9.634 1.00 10.00 C HETATM 1394 OG SEP B 367 7.916 17.770 9.715 1.00 10.00 O HETATM 1395 C SEP B 367 4.999 20.050 10.354 1.00 10.00 C HETATM 1396 O SEP B 367 4.138 20.333 9.523 1.00 10.00 O HETATM 1397 P SEP B 367 8.224 16.916 8.404 1.00 10.00 P HETATM 1398 O1P SEP B 367 8.371 17.724 7.180 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.294 15.920 8.589 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.907 16.041 8.158 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.038 19.260 8.592 1.00 10.00 H new HETATM 0 HB2 SEP B 367 7.650 19.767 10.154 1.00 10.00 H new HETATM 0 HA SEP B 367 5.883 18.333 11.254 1.00 10.00 H new HETATM 0 H SEP B 367 5.461 17.376 8.604 1.00 10.00 H new ATOM 1405 N PRO B 368 5.286 20.858 11.395 1.00 10.00 N ATOM 1406 CA PRO B 368 4.616 22.148 11.607 1.00 10.00 C ATOM 1407 C PRO B 368 4.569 23.003 10.342 1.00 10.00 C ATOM 1408 O PRO B 368 3.476 23.507 10.011 1.00 10.00 O ATOM 1409 CB PRO B 368 5.481 22.813 12.683 1.00 10.00 C ATOM 1410 CG PRO B 368 6.067 21.679 13.446 1.00 10.00 C ATOM 1411 CD PRO B 368 6.280 20.576 12.450 1.00 10.00 C ATOM 0 HA PRO B 368 3.571 22.026 11.892 1.00 10.00 H new ATOM 0 HB2 PRO B 368 6.258 23.435 12.239 1.00 10.00 H new ATOM 0 HB3 PRO B 368 4.885 23.459 13.328 1.00 10.00 H new ATOM 0 HG2 PRO B 368 7.008 21.969 13.914 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.398 21.359 14.245 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.296 20.584 12.055 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.120 19.595 12.899 1.00 10.00 H new TER 1419 PRO B 368