USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 SER OG : rot -63:sc= 0.995 USER MOD Set 1.2: A 115 GLN : amide:sc= 0 X(o=1,f=1) USER MOD Set 2.1: A 11 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 106 THR OG1 : rot 84:sc= 1.22 USER MOD Set 3.1: A 84 ASN : amide:sc= 1.32 K(o=2.1,f=-1.4) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -112:sc= 0.804 (180deg=0) USER MOD Set 4.1: A 42 CYS SG : rot -43:sc= 0.379 USER MOD Set 4.2: A 62 CYS SG : rot 118:sc= 0.64 USER MOD Set 5.1: A 14 GLN : amide:sc= 0.107 X(o=0.43,f=0.54) USER MOD Set 5.2: A 98 GLN : amide:sc= 0.321 X(o=0.43,f=0.54) USER MOD Single : A 3 GLN : amide:sc= 0.266 X(o=0.27,f=0) USER MOD Single : A 6 SER OG : rot 68:sc= 1.24 USER MOD Single : A 7 GLN : amide:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -26:sc= 0.0541 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.799 (180deg=0.36) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.231) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 163:sc= 0.0284 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.643 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.232 F(o=-0.81,f=-0.23) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -96:sc= 0.0279 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= 0.747 (180deg=0.298) USER MOD Single : A 96 ASN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 100 MET CE :methyl -145:sc= -0.0674 (180deg=-0.357) USER MOD Single : A 105 GLN : amide:sc= 0.00363 K(o=0.0036,f=-0.99) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0679) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.0239 X(o=0.024,f=-0.094) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.0016) USER MOD Single : A 121 HIS : no HE2:sc= 0.0479 K(o=0.048,f=-1.9) USER MOD Single : A 122 HIS : no HD1:sc= -0.275 X(o=-0.27,f=0.017) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.442 0.846 0.946 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.673 1.301 0.786 1.00 25.00 O HETATM 3 C2 MYR A 1 1.180 0.062 -0.127 1.00 25.00 C HETATM 4 C3 MYR A 1 0.781 -1.442 -0.153 1.00 25.00 C HETATM 5 C4 MYR A 1 1.044 -2.145 1.206 1.00 25.00 C HETATM 6 C5 MYR A 1 0.865 -3.685 1.115 1.00 25.00 C HETATM 7 C6 MYR A 1 0.854 -4.351 2.522 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.526 -4.195 3.259 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.389 -3.627 4.707 1.00 25.00 C HETATM 10 C9 MYR A 1 0.057 -4.683 5.772 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.081 -5.651 6.241 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.113 -4.956 7.178 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.206 -5.937 7.659 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.269 -5.202 8.525 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.326 -6.176 9.074 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.837 -6.664 8.244 1.00 25.00 H new HETATM 0 H142 MYR A 1 -4.840 -6.929 9.694 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.051 -5.626 9.674 1.00 25.00 H new HETATM 0 H132 MYR A 1 -3.776 -4.695 9.354 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.758 -4.433 7.927 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.689 -6.400 6.799 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.750 -6.740 8.239 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.595 -4.537 8.041 1.00 25.00 H new HETATM 0 H111 MYR A 1 -2.579 -4.123 6.651 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.599 -6.047 5.367 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.638 -6.500 6.761 1.00 25.00 H new HETATM 0 H92 MYR A 1 0.873 -5.275 5.358 1.00 25.00 H new HETATM 0 H91 MYR A 1 0.452 -4.159 6.642 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.333 -2.810 4.698 1.00 25.00 H new HETATM 0 H81 MYR A 1 -1.346 -3.203 5.011 1.00 25.00 H new HETATM 0 H72 MYR A 1 -1.169 -3.536 2.676 1.00 25.00 H new HETATM 0 H71 MYR A 1 -1.020 -5.166 3.302 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.088 -5.411 2.419 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.640 -3.909 3.134 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.067 -3.912 0.598 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.672 -4.110 0.518 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.056 -1.918 1.541 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.363 -1.746 1.957 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.275 -1.531 -0.407 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.342 -1.951 -0.937 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.974 0.505 -1.101 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.254 0.146 0.041 1.00 25.00 H new ATOM 43 N GLY A 2 1.126 1.030 2.095 1.00 25.00 N ATOM 44 CA GLY A 2 0.619 1.760 3.247 1.00 25.00 C ATOM 45 C GLY A 2 0.209 3.160 2.872 1.00 25.00 C ATOM 46 O GLY A 2 -0.777 3.681 3.385 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.235 1.230 3.669 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.385 1.798 4.022 1.00 25.00 H new ATOM 50 N GLN A 3 0.932 3.760 1.940 1.00 25.00 N ATOM 51 CA GLN A 3 0.630 5.113 1.495 1.00 25.00 C ATOM 52 C GLN A 3 -0.767 5.226 0.861 1.00 25.00 C ATOM 53 O GLN A 3 -1.469 6.212 1.095 1.00 25.00 O ATOM 54 CB GLN A 3 1.721 5.607 0.529 1.00 25.00 C ATOM 55 CG GLN A 3 1.878 4.795 -0.762 1.00 25.00 C ATOM 56 CD GLN A 3 3.067 5.250 -1.579 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.937 6.074 -2.467 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.225 4.731 -1.273 1.00 25.00 N ATOM 0 H GLN A 3 1.733 3.332 1.476 1.00 25.00 H new ATOM 0 HA GLN A 3 0.620 5.755 2.376 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.504 6.641 0.263 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.675 5.607 1.056 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.991 3.740 -0.514 1.00 25.00 H new ATOM 0 HG3 GLN A 3 0.971 4.887 -1.360 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.293 4.043 -0.523 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.061 5.013 -1.784 1.00 25.00 H new ATOM 67 N GLU A 4 -1.201 4.221 0.110 1.00 25.00 N ATOM 68 CA GLU A 4 -2.516 4.295 -0.523 1.00 25.00 C ATOM 69 C GLU A 4 -3.609 3.890 0.453 1.00 25.00 C ATOM 70 O GLU A 4 -4.758 4.287 0.301 1.00 25.00 O ATOM 71 CB GLU A 4 -2.596 3.450 -1.802 1.00 25.00 C ATOM 72 CG GLU A 4 -2.876 1.961 -1.613 1.00 25.00 C ATOM 73 CD GLU A 4 -3.305 1.326 -2.904 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.452 1.165 -3.795 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.519 1.027 -3.048 1.00 25.00 O ATOM 0 H GLU A 4 -0.679 3.365 -0.074 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.670 5.334 -0.813 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.376 3.867 -2.439 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.654 3.555 -2.341 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.981 1.464 -1.239 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.654 1.826 -0.861 1.00 25.00 H new ATOM 82 N LEU A 5 -3.253 3.130 1.481 1.00 25.00 N ATOM 83 CA LEU A 5 -4.234 2.720 2.482 1.00 25.00 C ATOM 84 C LEU A 5 -4.712 3.949 3.248 1.00 25.00 C ATOM 85 O LEU A 5 -5.892 4.070 3.541 1.00 25.00 O ATOM 86 CB LEU A 5 -3.648 1.679 3.439 1.00 25.00 C ATOM 87 CG LEU A 5 -3.366 0.289 2.839 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.690 -0.594 3.877 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.641 -0.397 2.356 1.00 25.00 C ATOM 0 H LEU A 5 -2.306 2.788 1.644 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.081 2.255 1.977 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.716 2.073 3.845 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.335 1.558 4.277 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.712 0.434 1.979 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.493 -1.576 3.447 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.749 -0.138 4.186 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.343 -0.702 4.743 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.394 -1.374 1.941 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.327 -0.522 3.194 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.114 0.214 1.588 1.00 25.00 H new ATOM 101 N SER A 6 -3.816 4.904 3.482 1.00 25.00 N ATOM 102 CA SER A 6 -4.189 6.193 4.075 1.00 25.00 C ATOM 103 C SER A 6 -5.089 7.033 3.162 1.00 25.00 C ATOM 104 O SER A 6 -5.749 7.963 3.618 1.00 25.00 O ATOM 105 CB SER A 6 -2.935 7.009 4.379 1.00 25.00 C ATOM 106 OG SER A 6 -1.781 6.381 3.854 1.00 25.00 O ATOM 0 H SER A 6 -2.822 4.813 3.271 1.00 25.00 H new ATOM 0 HA SER A 6 -4.744 5.961 4.984 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.035 8.008 3.954 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.829 7.131 5.457 1.00 25.00 H new ATOM 0 HG SER A 6 -1.808 6.413 2.875 1.00 25.00 H new ATOM 112 N GLN A 7 -5.097 6.718 1.874 1.00 25.00 N ATOM 113 CA GLN A 7 -5.892 7.450 0.887 1.00 25.00 C ATOM 114 C GLN A 7 -7.228 6.736 0.623 1.00 25.00 C ATOM 115 O GLN A 7 -8.171 7.316 0.092 1.00 25.00 O ATOM 116 CB GLN A 7 -5.075 7.557 -0.407 1.00 25.00 C ATOM 117 CG GLN A 7 -5.316 8.830 -1.203 1.00 25.00 C ATOM 118 CD GLN A 7 -4.228 9.068 -2.236 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.625 10.128 -2.275 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.960 8.081 -3.052 1.00 25.00 N ATOM 0 H GLN A 7 -4.554 5.949 1.480 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.122 8.446 1.266 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.016 7.494 -0.159 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.306 6.699 -1.039 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.283 8.768 -1.702 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.362 9.680 -0.522 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.486 7.210 -2.989 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.225 8.183 -3.752 1.00 25.00 H new ATOM 129 N HIS A 8 -7.300 5.473 1.012 1.00 25.00 N ATOM 130 CA HIS A 8 -8.499 4.651 0.836 1.00 25.00 C ATOM 131 C HIS A 8 -9.465 4.953 1.986 1.00 25.00 C ATOM 132 O HIS A 8 -9.440 4.285 3.008 1.00 25.00 O ATOM 133 CB HIS A 8 -8.084 3.163 0.819 1.00 25.00 C ATOM 134 CG HIS A 8 -8.836 2.322 -0.162 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.388 2.081 -1.468 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.993 1.613 -0.059 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.254 1.281 -2.075 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.224 0.989 -1.248 1.00 25.00 N ATOM 0 H HIS A 8 -6.527 4.982 1.462 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.999 4.875 -0.106 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.020 3.098 0.594 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.224 2.748 1.817 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.622 1.555 0.817 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.171 0.927 -3.092 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.023 0.391 -1.459 1.00 25.00 H new ATOM 146 N GLU A 9 -10.281 5.988 1.846 1.00 25.00 N ATOM 147 CA GLU A 9 -11.103 6.491 2.962 1.00 25.00 C ATOM 148 C GLU A 9 -11.959 5.454 3.716 1.00 25.00 C ATOM 149 O GLU A 9 -12.162 5.587 4.916 1.00 25.00 O ATOM 150 CB GLU A 9 -11.995 7.645 2.481 1.00 25.00 C ATOM 151 CG GLU A 9 -13.128 7.226 1.548 1.00 25.00 C ATOM 152 CD GLU A 9 -13.960 8.408 1.098 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.438 9.245 0.340 1.00 25.00 O ATOM 154 OE2 GLU A 9 -15.137 8.491 1.500 1.00 25.00 O ATOM 0 H GLU A 9 -10.399 6.503 0.974 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.370 6.823 3.698 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.424 8.142 3.351 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.373 8.379 1.969 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.711 6.723 0.675 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.768 6.505 2.056 1.00 25.00 H new ATOM 161 N ARG A 10 -12.420 4.406 3.044 1.00 25.00 N ATOM 162 CA ARG A 10 -13.240 3.384 3.718 1.00 25.00 C ATOM 163 C ARG A 10 -12.393 2.472 4.596 1.00 25.00 C ATOM 164 O ARG A 10 -12.845 1.977 5.622 1.00 25.00 O ATOM 165 CB ARG A 10 -14.021 2.556 2.697 1.00 25.00 C ATOM 166 CG ARG A 10 -15.102 3.367 1.987 1.00 25.00 C ATOM 167 CD ARG A 10 -15.975 2.484 1.114 1.00 25.00 C ATOM 168 NE ARG A 10 -17.035 3.268 0.459 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.976 2.774 -0.338 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.048 1.497 -0.628 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.864 3.578 -0.847 1.00 25.00 N ATOM 0 H ARG A 10 -12.250 4.235 2.053 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.946 3.908 4.362 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.330 2.152 1.957 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.481 1.706 3.200 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.721 3.876 2.726 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.636 4.139 1.375 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.361 1.994 0.358 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.423 1.697 1.720 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.048 4.273 0.631 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.367 0.846 -0.237 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.785 1.155 -1.244 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.832 4.575 -0.632 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.592 3.211 -1.460 1.00 25.00 H new ATOM 185 N TYR A 11 -11.140 2.299 4.216 1.00 25.00 N ATOM 186 CA TYR A 11 -10.204 1.529 5.019 1.00 25.00 C ATOM 187 C TYR A 11 -9.811 2.393 6.207 1.00 25.00 C ATOM 188 O TYR A 11 -9.782 1.937 7.350 1.00 25.00 O ATOM 189 CB TYR A 11 -8.971 1.177 4.190 1.00 25.00 C ATOM 190 CG TYR A 11 -7.984 0.323 4.932 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.241 -1.041 5.149 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.778 0.868 5.418 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.318 -1.848 5.842 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.844 0.054 6.109 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.129 -1.296 6.318 1.00 25.00 C ATOM 196 OH TYR A 11 -5.228 -2.073 6.995 1.00 25.00 O ATOM 0 H TYR A 11 -10.746 2.681 3.356 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.658 0.597 5.356 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.286 0.656 3.286 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.480 2.097 3.873 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.158 -1.476 4.780 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.563 1.915 5.263 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.531 -2.894 6.005 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.918 0.476 6.471 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.322 -1.732 6.842 1.00 25.00 H new ATOM 206 N VAL A 12 -9.573 3.666 5.922 1.00 25.00 N ATOM 207 CA VAL A 12 -9.237 4.654 6.944 1.00 25.00 C ATOM 208 C VAL A 12 -10.344 4.738 7.989 1.00 25.00 C ATOM 209 O VAL A 12 -10.059 4.898 9.161 1.00 25.00 O ATOM 210 CB VAL A 12 -9.007 6.061 6.297 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.809 7.153 7.348 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.790 6.027 5.391 1.00 25.00 C ATOM 0 H VAL A 12 -9.607 4.045 4.976 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.315 4.338 7.431 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.902 6.297 5.722 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.653 8.111 6.852 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.694 7.212 7.982 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.939 6.915 7.960 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.640 7.011 4.946 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.910 5.754 5.974 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.945 5.292 4.601 1.00 25.00 H new ATOM 222 N GLU A 13 -11.599 4.601 7.589 1.00 25.00 N ATOM 223 CA GLU A 13 -12.713 4.682 8.535 1.00 25.00 C ATOM 224 C GLU A 13 -12.573 3.677 9.682 1.00 25.00 C ATOM 225 O GLU A 13 -12.636 4.049 10.858 1.00 25.00 O ATOM 226 CB GLU A 13 -14.036 4.472 7.802 1.00 25.00 C ATOM 227 CG GLU A 13 -15.241 4.803 8.645 1.00 25.00 C ATOM 228 CD GLU A 13 -16.502 4.857 7.813 1.00 25.00 C ATOM 229 OE1 GLU A 13 -17.035 3.790 7.448 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.927 5.982 7.481 1.00 25.00 O ATOM 0 H GLU A 13 -11.876 4.434 6.622 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.697 5.678 8.978 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.048 5.089 6.904 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.103 3.434 7.476 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.354 4.055 9.430 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.088 5.763 9.139 1.00 25.00 H new ATOM 237 N GLN A 14 -12.301 2.424 9.355 1.00 25.00 N ATOM 238 CA GLN A 14 -12.080 1.412 10.385 1.00 25.00 C ATOM 239 C GLN A 14 -10.736 1.616 11.064 1.00 25.00 C ATOM 240 O GLN A 14 -10.605 1.446 12.282 1.00 25.00 O ATOM 241 CB GLN A 14 -12.144 0.008 9.779 1.00 25.00 C ATOM 242 CG GLN A 14 -13.569 -0.444 9.489 1.00 25.00 C ATOM 243 CD GLN A 14 -14.414 -0.464 10.748 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.224 0.415 10.975 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.181 -1.432 11.595 1.00 25.00 N ATOM 0 H GLN A 14 -12.228 2.082 8.397 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.868 1.515 11.131 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.566 -0.011 8.855 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.675 -0.700 10.463 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -14.022 0.224 8.757 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.553 -1.439 9.045 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.494 -2.152 11.370 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.686 -1.467 12.481 1.00 25.00 H new ATOM 254 N LEU A 15 -9.731 2.002 10.296 1.00 25.00 N ATOM 255 CA LEU A 15 -8.393 2.189 10.840 1.00 25.00 C ATOM 256 C LEU A 15 -8.319 3.358 11.835 1.00 25.00 C ATOM 257 O LEU A 15 -7.497 3.339 12.750 1.00 25.00 O ATOM 258 CB LEU A 15 -7.387 2.376 9.702 1.00 25.00 C ATOM 259 CG LEU A 15 -5.959 1.902 10.011 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.874 0.373 10.124 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.026 2.387 8.922 1.00 25.00 C ATOM 0 H LEU A 15 -9.814 2.192 9.297 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.139 1.289 11.400 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.750 1.839 8.825 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.353 3.433 9.438 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.666 2.319 10.974 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.847 0.081 10.343 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.528 0.031 10.926 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.187 -0.079 9.183 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -4.011 2.053 9.137 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.346 1.982 7.962 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.049 3.476 8.882 1.00 25.00 H new ATOM 273 N LYS A 16 -9.225 4.328 11.715 1.00 25.00 N ATOM 274 CA LYS A 16 -9.322 5.434 12.682 1.00 25.00 C ATOM 275 C LYS A 16 -9.568 4.846 14.054 1.00 25.00 C ATOM 276 O LYS A 16 -8.975 5.276 15.039 1.00 25.00 O ATOM 277 CB LYS A 16 -10.510 6.358 12.368 1.00 25.00 C ATOM 278 CG LYS A 16 -10.303 7.386 11.253 1.00 25.00 C ATOM 279 CD LYS A 16 -11.681 7.871 10.756 1.00 25.00 C ATOM 280 CE LYS A 16 -11.581 8.861 9.587 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.904 8.989 8.851 1.00 25.00 N ATOM 0 H LYS A 16 -9.906 4.375 10.957 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.396 6.008 12.633 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.365 5.736 12.103 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.776 6.893 13.280 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.718 8.228 11.621 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.741 6.942 10.431 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.273 7.010 10.446 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.213 8.344 11.581 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.276 9.838 9.961 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.808 8.530 8.893 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.801 9.665 8.068 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.182 8.061 8.473 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.635 9.329 9.508 1.00 25.00 H new ATOM 295 N GLN A 17 -10.466 3.877 14.114 1.00 25.00 N ATOM 296 CA GLN A 17 -10.821 3.259 15.380 1.00 25.00 C ATOM 297 C GLN A 17 -9.720 2.306 15.818 1.00 25.00 C ATOM 298 O GLN A 17 -9.383 2.251 16.997 1.00 25.00 O ATOM 299 CB GLN A 17 -12.146 2.505 15.255 1.00 25.00 C ATOM 300 CG GLN A 17 -13.308 3.374 14.781 1.00 25.00 C ATOM 301 CD GLN A 17 -14.650 2.739 15.078 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.040 2.631 16.229 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.348 2.316 14.060 1.00 25.00 N ATOM 0 H GLN A 17 -10.961 3.503 13.304 1.00 25.00 H new ATOM 0 HA GLN A 17 -10.936 4.042 16.130 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.017 1.676 14.559 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.400 2.072 16.223 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.253 4.349 15.266 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.218 3.546 13.708 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.986 2.425 13.113 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.256 1.876 14.212 1.00 25.00 H new ATOM 312 N ALA A 18 -9.139 1.582 14.868 1.00 25.00 N ATOM 313 CA ALA A 18 -8.079 0.621 15.172 1.00 25.00 C ATOM 314 C ALA A 18 -6.862 1.284 15.841 1.00 25.00 C ATOM 315 O ALA A 18 -6.360 0.779 16.841 1.00 25.00 O ATOM 316 CB ALA A 18 -7.656 -0.111 13.897 1.00 25.00 C ATOM 0 H ALA A 18 -9.383 1.641 13.879 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.483 -0.097 15.886 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.866 -0.825 14.132 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.512 -0.641 13.481 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.287 0.611 13.168 1.00 25.00 H new ATOM 322 N LEU A 19 -6.407 2.418 15.314 1.00 25.00 N ATOM 323 CA LEU A 19 -5.264 3.123 15.912 1.00 25.00 C ATOM 324 C LEU A 19 -5.602 3.569 17.336 1.00 25.00 C ATOM 325 O LEU A 19 -4.784 3.460 18.246 1.00 25.00 O ATOM 326 CB LEU A 19 -4.878 4.374 15.094 1.00 25.00 C ATOM 327 CG LEU A 19 -3.676 4.261 14.131 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.050 3.603 12.816 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.107 5.650 13.834 1.00 25.00 C ATOM 0 H LEU A 19 -6.801 2.867 14.487 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.426 2.426 15.919 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.748 4.674 14.510 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.671 5.182 15.795 1.00 25.00 H new ATOM 0 HG LEU A 19 -2.933 3.638 14.629 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.171 3.547 12.174 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.425 2.597 13.006 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.823 4.191 12.322 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.260 5.558 13.154 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.877 6.268 13.373 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.778 6.115 14.763 1.00 25.00 H new ATOM 341 N LYS A 20 -6.806 4.091 17.523 1.00 25.00 N ATOM 342 CA LYS A 20 -7.212 4.635 18.823 1.00 25.00 C ATOM 343 C LYS A 20 -7.416 3.567 19.884 1.00 25.00 C ATOM 344 O LYS A 20 -6.961 3.729 21.010 1.00 25.00 O ATOM 345 CB LYS A 20 -8.504 5.437 18.676 1.00 25.00 C ATOM 346 CG LYS A 20 -8.325 6.740 17.910 1.00 25.00 C ATOM 347 CD LYS A 20 -9.664 7.434 17.734 1.00 25.00 C ATOM 348 CE LYS A 20 -9.528 8.691 16.888 1.00 25.00 C ATOM 349 NZ LYS A 20 -10.850 9.401 16.760 1.00 25.00 N ATOM 0 H LYS A 20 -7.520 4.152 16.798 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.393 5.274 19.154 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.247 4.824 18.166 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -8.900 5.659 19.667 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -7.636 7.393 18.446 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -7.881 6.539 16.935 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.371 6.751 17.263 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.073 7.693 18.711 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -8.794 9.359 17.339 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.155 8.429 15.898 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -10.731 10.255 16.179 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.541 8.769 16.309 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.192 9.670 17.704 1.00 25.00 H new ATOM 363 N THR A 21 -8.101 2.487 19.540 1.00 25.00 N ATOM 364 CA THR A 21 -8.424 1.447 20.524 1.00 25.00 C ATOM 365 C THR A 21 -7.183 0.661 20.936 1.00 25.00 C ATOM 366 O THR A 21 -7.188 -0.034 21.943 1.00 25.00 O ATOM 367 CB THR A 21 -9.520 0.474 19.993 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.063 -0.269 21.084 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.977 -0.514 18.965 1.00 25.00 C ATOM 0 H THR A 21 -8.444 2.302 18.598 1.00 25.00 H new ATOM 0 HA THR A 21 -8.816 1.958 21.403 1.00 25.00 H new ATOM 0 HB THR A 21 -10.282 1.085 19.509 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.396 -0.335 21.799 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.782 -1.168 18.628 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.573 0.033 18.113 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.188 -1.114 19.418 1.00 25.00 H new ATOM 377 N ARG A 22 -6.102 0.806 20.179 1.00 25.00 N ATOM 378 CA ARG A 22 -4.839 0.155 20.503 1.00 25.00 C ATOM 379 C ARG A 22 -4.187 0.831 21.708 1.00 25.00 C ATOM 380 O ARG A 22 -3.343 0.243 22.373 1.00 25.00 O ATOM 381 CB ARG A 22 -3.915 0.221 19.278 1.00 25.00 C ATOM 382 CG ARG A 22 -2.692 -0.681 19.334 1.00 25.00 C ATOM 383 CD ARG A 22 -3.065 -2.154 19.336 1.00 25.00 C ATOM 384 NE ARG A 22 -2.816 -2.756 20.656 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.893 -4.053 20.931 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.254 -4.934 20.035 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.590 -4.475 22.124 1.00 25.00 N ATOM 0 H ARG A 22 -6.076 1.373 19.331 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.020 -0.888 20.762 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.495 -0.037 18.392 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.581 1.251 19.151 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.049 -0.472 18.479 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.115 -0.453 20.230 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.117 -2.268 19.072 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.487 -2.681 18.577 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.565 -2.128 21.419 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.488 -4.633 19.089 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.302 -5.922 20.282 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.296 -3.811 22.840 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.647 -5.470 22.343 1.00 25.00 H new ATOM 401 N GLY A 23 -4.578 2.073 21.970 1.00 25.00 N ATOM 402 CA GLY A 23 -4.036 2.821 23.096 1.00 25.00 C ATOM 403 C GLY A 23 -2.656 3.386 22.825 1.00 25.00 C ATOM 404 O GLY A 23 -1.967 3.833 23.737 1.00 25.00 O ATOM 0 H GLY A 23 -5.268 2.582 21.418 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.715 3.638 23.342 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -3.991 2.170 23.969 1.00 25.00 H new ATOM 408 N VAL A 24 -2.241 3.359 21.566 1.00 25.00 N ATOM 409 CA VAL A 24 -0.904 3.809 21.180 1.00 25.00 C ATOM 410 C VAL A 24 -1.010 5.107 20.395 1.00 25.00 C ATOM 411 O VAL A 24 -1.707 5.185 19.385 1.00 25.00 O ATOM 412 CB VAL A 24 -0.179 2.723 20.333 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.229 3.185 19.932 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.073 1.410 21.131 1.00 25.00 C ATOM 0 H VAL A 24 -2.812 3.029 20.788 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.317 3.981 22.082 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.766 2.558 19.429 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.713 2.407 19.341 1.00 25.00 H new ATOM 0 HG12 VAL A 24 1.158 4.098 19.341 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.818 3.378 20.829 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.436 0.658 20.528 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.493 1.585 22.046 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.072 1.056 21.384 1.00 25.00 H new ATOM 424 N LYS A 25 -0.336 6.145 20.876 1.00 25.00 N ATOM 425 CA LYS A 25 -0.391 7.458 20.230 1.00 25.00 C ATOM 426 C LYS A 25 0.587 7.555 19.064 1.00 25.00 C ATOM 427 O LYS A 25 1.672 8.109 19.197 1.00 25.00 O ATOM 428 CB LYS A 25 -0.080 8.565 21.248 1.00 25.00 C ATOM 429 CG LYS A 25 -1.129 8.702 22.355 1.00 25.00 C ATOM 430 CD LYS A 25 -0.778 9.818 23.354 1.00 25.00 C ATOM 431 CE LYS A 25 -0.982 11.217 22.752 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.681 12.299 23.760 1.00 25.00 N ATOM 0 H LYS A 25 0.254 6.107 21.707 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.401 7.587 19.841 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.890 8.365 21.703 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.005 9.516 20.722 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.101 8.910 21.908 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.219 7.755 22.887 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.396 9.714 24.246 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.259 9.708 23.671 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.336 11.338 21.882 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -2.010 11.318 22.403 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.828 13.231 23.323 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -1.314 12.197 24.579 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 0.307 12.216 24.074 1.00 25.00 H new ATOM 446 N VAL A 26 0.155 7.085 17.907 1.00 25.00 N ATOM 447 CA VAL A 26 0.905 7.233 16.658 1.00 25.00 C ATOM 448 C VAL A 26 0.007 8.007 15.711 1.00 25.00 C ATOM 449 O VAL A 26 -1.216 7.883 15.771 1.00 25.00 O ATOM 450 CB VAL A 26 1.287 5.851 16.019 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.527 5.274 16.715 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.120 4.844 16.102 1.00 25.00 C ATOM 0 H VAL A 26 -0.729 6.587 17.800 1.00 25.00 H new ATOM 0 HA VAL A 26 1.846 7.748 16.853 1.00 25.00 H new ATOM 0 HB VAL A 26 1.507 6.022 14.965 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.784 4.315 16.265 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.363 5.964 16.601 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.316 5.132 17.775 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.422 3.899 15.650 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.144 4.678 17.146 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.743 5.242 15.568 1.00 25.00 H new ATOM 462 N LYS A 27 0.590 8.826 14.846 1.00 25.00 N ATOM 463 CA LYS A 27 -0.215 9.536 13.850 1.00 25.00 C ATOM 464 C LYS A 27 -0.374 8.595 12.673 1.00 25.00 C ATOM 465 O LYS A 27 0.423 7.682 12.499 1.00 25.00 O ATOM 466 CB LYS A 27 0.412 10.881 13.436 1.00 25.00 C ATOM 467 CG LYS A 27 1.850 10.817 12.932 1.00 25.00 C ATOM 468 CD LYS A 27 2.342 12.214 12.516 1.00 25.00 C ATOM 469 CE LYS A 27 3.775 12.208 11.966 1.00 25.00 C ATOM 470 NZ LYS A 27 4.819 11.924 13.016 1.00 25.00 N ATOM 0 H LYS A 27 1.592 9.015 14.809 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.187 9.802 14.267 1.00 25.00 H new ATOM 0 HB2 LYS A 27 -0.207 11.324 12.656 1.00 25.00 H new ATOM 0 HB3 LYS A 27 0.377 11.555 14.292 1.00 25.00 H new ATOM 0 HG2 LYS A 27 2.497 10.415 13.712 1.00 25.00 H new ATOM 0 HG3 LYS A 27 1.913 10.136 12.083 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.670 12.619 11.759 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.292 12.881 13.376 1.00 25.00 H new ATOM 0 HE2 LYS A 27 3.850 11.459 11.178 1.00 25.00 H new ATOM 0 HE3 LYS A 27 3.984 13.175 11.508 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 5.753 11.851 12.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.830 12.696 13.712 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 4.595 11.029 13.496 1.00 25.00 H new ATOM 484 N PHE A 28 -1.390 8.828 11.858 1.00 25.00 N ATOM 485 CA PHE A 28 -1.655 7.971 10.699 1.00 25.00 C ATOM 486 C PHE A 28 -0.443 7.899 9.782 1.00 25.00 C ATOM 487 O PHE A 28 -0.089 6.834 9.310 1.00 25.00 O ATOM 488 CB PHE A 28 -2.849 8.520 9.912 1.00 25.00 C ATOM 489 CG PHE A 28 -4.090 7.681 10.035 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.817 7.653 11.241 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.540 6.913 8.948 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.978 6.854 11.362 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.696 6.114 9.059 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.420 6.088 10.268 1.00 25.00 C ATOM 0 H PHE A 28 -2.047 9.600 11.972 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.877 6.968 11.064 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.068 9.530 10.258 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.575 8.596 8.860 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.485 8.246 12.080 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.994 6.935 8.017 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.524 6.832 12.293 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.027 5.522 8.218 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.310 5.483 10.354 1.00 25.00 H new ATOM 504 N ALA A 29 0.211 9.032 9.576 1.00 25.00 N ATOM 505 CA ALA A 29 1.384 9.089 8.712 1.00 25.00 C ATOM 506 C ALA A 29 2.501 8.151 9.186 1.00 25.00 C ATOM 507 O ALA A 29 3.183 7.549 8.377 1.00 25.00 O ATOM 508 CB ALA A 29 1.897 10.530 8.639 1.00 25.00 C ATOM 0 H ALA A 29 -0.049 9.925 9.994 1.00 25.00 H new ATOM 0 HA ALA A 29 1.083 8.752 7.720 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.774 10.572 7.993 1.00 25.00 H new ATOM 0 HB2 ALA A 29 1.117 11.174 8.234 1.00 25.00 H new ATOM 0 HB3 ALA A 29 2.166 10.871 9.639 1.00 25.00 H new ATOM 514 N ASP A 30 2.672 8.021 10.493 1.00 25.00 N ATOM 515 CA ASP A 30 3.718 7.147 11.025 1.00 25.00 C ATOM 516 C ASP A 30 3.296 5.700 10.892 1.00 25.00 C ATOM 517 O ASP A 30 4.084 4.853 10.503 1.00 25.00 O ATOM 518 CB ASP A 30 3.980 7.418 12.508 1.00 25.00 C ATOM 519 CG ASP A 30 4.687 8.727 12.750 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.251 9.314 11.804 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.592 9.235 13.888 1.00 25.00 O ATOM 0 H ASP A 30 2.112 8.499 11.199 1.00 25.00 H new ATOM 0 HA ASP A 30 4.625 7.347 10.454 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.031 7.419 13.045 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.579 6.606 12.920 1.00 25.00 H new ATOM 526 N LEU A 31 2.056 5.406 11.247 1.00 25.00 N ATOM 527 CA LEU A 31 1.594 4.022 11.256 1.00 25.00 C ATOM 528 C LEU A 31 1.601 3.448 9.842 1.00 25.00 C ATOM 529 O LEU A 31 2.167 2.381 9.589 1.00 25.00 O ATOM 530 CB LEU A 31 0.197 3.932 11.892 1.00 25.00 C ATOM 531 CG LEU A 31 -0.407 2.542 12.184 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.169 2.010 10.982 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.633 1.511 12.626 1.00 25.00 C ATOM 0 H LEU A 31 1.358 6.094 11.529 1.00 25.00 H new ATOM 0 HA LEU A 31 2.277 3.424 11.860 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.229 4.481 12.833 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.496 4.461 11.238 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.094 2.691 13.017 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.583 1.030 11.218 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.979 2.695 10.732 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.493 1.923 10.132 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.142 0.557 12.815 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.378 1.386 11.840 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.121 1.855 13.538 1.00 25.00 H new ATOM 545 N LEU A 32 1.001 4.166 8.908 1.00 25.00 N ATOM 546 CA LEU A 32 0.949 3.700 7.524 1.00 25.00 C ATOM 547 C LEU A 32 2.312 3.705 6.846 1.00 25.00 C ATOM 548 O LEU A 32 2.518 2.974 5.892 1.00 25.00 O ATOM 549 CB LEU A 32 -0.032 4.521 6.680 1.00 25.00 C ATOM 550 CG LEU A 32 -1.530 4.163 6.762 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.799 2.664 6.571 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.122 4.612 8.069 1.00 25.00 C ATOM 0 H LEU A 32 0.547 5.064 9.075 1.00 25.00 H new ATOM 0 HA LEU A 32 0.600 2.669 7.583 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.078 5.568 6.964 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.275 4.440 5.637 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.009 4.694 5.939 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.870 2.475 6.639 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.437 2.351 5.592 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.281 2.100 7.346 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.179 4.347 8.100 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.601 4.122 8.892 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.016 5.693 8.164 1.00 25.00 H new ATOM 564 N LYS A 33 3.270 4.462 7.362 1.00 25.00 N ATOM 565 CA LYS A 33 4.630 4.417 6.803 1.00 25.00 C ATOM 566 C LYS A 33 5.225 3.023 6.984 1.00 25.00 C ATOM 567 O LYS A 33 5.940 2.528 6.125 1.00 25.00 O ATOM 568 CB LYS A 33 5.539 5.462 7.451 1.00 25.00 C ATOM 569 CG LYS A 33 6.953 5.438 6.898 1.00 25.00 C ATOM 570 CD LYS A 33 7.737 6.681 7.286 1.00 25.00 C ATOM 571 CE LYS A 33 9.147 6.644 6.686 1.00 25.00 C ATOM 572 NZ LYS A 33 9.122 6.652 5.175 1.00 25.00 N ATOM 0 H LYS A 33 3.145 5.102 8.147 1.00 25.00 H new ATOM 0 HA LYS A 33 4.561 4.647 5.740 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.111 6.453 7.299 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.572 5.291 8.527 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.471 4.553 7.266 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.916 5.357 5.812 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.212 7.571 6.938 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.801 6.752 8.372 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.715 7.503 7.043 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.666 5.751 7.035 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.074 6.864 4.813 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.819 5.719 4.828 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.456 7.378 4.843 1.00 25.00 H new ATOM 586 N PHE A 34 4.896 2.367 8.080 1.00 25.00 N ATOM 587 CA PHE A 34 5.391 1.014 8.312 1.00 25.00 C ATOM 588 C PHE A 34 4.568 -0.023 7.551 1.00 25.00 C ATOM 589 O PHE A 34 5.084 -1.070 7.184 1.00 25.00 O ATOM 590 CB PHE A 34 5.495 0.738 9.805 1.00 25.00 C ATOM 591 CG PHE A 34 6.692 1.408 10.423 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.612 2.738 10.867 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.926 0.737 10.503 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.745 3.407 11.376 1.00 25.00 C ATOM 595 CE2 PHE A 34 9.072 1.398 11.011 1.00 25.00 C ATOM 596 CZ PHE A 34 8.975 2.740 11.442 1.00 25.00 C ATOM 0 H PHE A 34 4.297 2.738 8.817 1.00 25.00 H new ATOM 0 HA PHE A 34 6.400 0.931 7.909 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.589 1.086 10.301 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.556 -0.338 9.971 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.667 3.258 10.818 1.00 25.00 H new ATOM 0 HD2 PHE A 34 8.000 -0.289 10.175 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.664 4.430 11.714 1.00 25.00 H new ATOM 0 HE2 PHE A 34 10.017 0.878 11.069 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.848 3.251 11.822 1.00 25.00 H new ATOM 606 N PHE A 35 3.329 0.317 7.217 1.00 25.00 N ATOM 607 CA PHE A 35 2.523 -0.521 6.315 1.00 25.00 C ATOM 608 C PHE A 35 3.085 -0.396 4.888 1.00 25.00 C ATOM 609 O PHE A 35 2.829 -1.231 4.036 1.00 25.00 O ATOM 610 CB PHE A 35 1.050 -0.089 6.308 1.00 25.00 C ATOM 611 CG PHE A 35 0.240 -0.602 7.480 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.707 -0.514 8.809 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.028 -1.167 7.248 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.078 -0.996 9.880 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.823 -1.639 8.317 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.346 -1.557 9.630 1.00 25.00 C ATOM 0 H PHE A 35 2.857 1.158 7.550 1.00 25.00 H new ATOM 0 HA PHE A 35 2.575 -1.551 6.668 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.004 1.000 6.300 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.587 -0.435 5.384 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.673 -0.074 9.009 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.400 -1.241 6.237 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.294 -0.934 10.892 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.797 -2.062 8.121 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.948 -1.923 10.449 1.00 25.00 H new ATOM 626 N ASP A 36 3.862 0.646 4.638 1.00 25.00 N ATOM 627 CA ASP A 36 4.519 0.827 3.343 1.00 25.00 C ATOM 628 C ASP A 36 5.826 0.031 3.330 1.00 25.00 C ATOM 629 O ASP A 36 6.207 -0.563 2.329 1.00 25.00 O ATOM 630 CB ASP A 36 4.814 2.316 3.119 1.00 25.00 C ATOM 631 CG ASP A 36 4.573 2.755 1.691 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.489 2.448 1.146 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.402 3.501 1.152 1.00 25.00 O ATOM 0 H ASP A 36 4.057 1.384 5.314 1.00 25.00 H new ATOM 0 HA ASP A 36 3.867 0.470 2.546 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.189 2.910 3.787 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.851 2.520 3.387 1.00 25.00 H new ATOM 638 N PHE A 37 6.489 -0.007 4.480 1.00 25.00 N ATOM 639 CA PHE A 37 7.771 -0.700 4.630 1.00 25.00 C ATOM 640 C PHE A 37 7.668 -2.211 4.398 1.00 25.00 C ATOM 641 O PHE A 37 8.580 -2.814 3.845 1.00 25.00 O ATOM 642 CB PHE A 37 8.344 -0.420 6.027 1.00 25.00 C ATOM 643 CG PHE A 37 9.749 -0.929 6.223 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.828 -0.332 5.540 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.006 -2.004 7.096 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.154 -0.802 5.726 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.328 -2.482 7.292 1.00 25.00 C ATOM 648 CZ PHE A 37 12.402 -1.879 6.603 1.00 25.00 C ATOM 0 H PHE A 37 6.157 0.439 5.335 1.00 25.00 H new ATOM 0 HA PHE A 37 8.439 -0.312 3.861 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.329 0.655 6.207 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.695 -0.877 6.774 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.643 0.493 4.867 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.187 -2.470 7.623 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.972 -0.336 5.197 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.512 -3.305 7.967 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.410 -2.240 6.746 1.00 25.00 H new ATOM 658 N VAL A 38 6.554 -2.826 4.779 1.00 25.00 N ATOM 659 CA VAL A 38 6.382 -4.261 4.525 1.00 25.00 C ATOM 660 C VAL A 38 6.389 -4.527 3.023 1.00 25.00 C ATOM 661 O VAL A 38 6.988 -5.489 2.577 1.00 25.00 O ATOM 662 CB VAL A 38 5.084 -4.870 5.199 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.964 -3.864 5.278 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.579 -6.126 4.446 1.00 25.00 C ATOM 0 H VAL A 38 5.773 -2.373 5.253 1.00 25.00 H new ATOM 0 HA VAL A 38 7.226 -4.768 4.992 1.00 25.00 H new ATOM 0 HB VAL A 38 5.378 -5.153 6.210 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.094 -4.324 5.747 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.285 -3.008 5.871 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.702 -3.532 4.274 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.688 -6.513 4.940 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.337 -5.860 3.417 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.357 -6.890 4.450 1.00 25.00 H new ATOM 674 N LYS A 39 5.770 -3.660 2.232 1.00 25.00 N ATOM 675 CA LYS A 39 5.745 -3.848 0.778 1.00 25.00 C ATOM 676 C LYS A 39 7.158 -3.757 0.212 1.00 25.00 C ATOM 677 O LYS A 39 7.512 -4.492 -0.704 1.00 25.00 O ATOM 678 CB LYS A 39 4.836 -2.793 0.123 1.00 25.00 C ATOM 679 CG LYS A 39 4.619 -2.987 -1.381 1.00 25.00 C ATOM 680 CD LYS A 39 5.605 -2.158 -2.205 1.00 25.00 C ATOM 681 CE LYS A 39 5.493 -2.482 -3.685 1.00 25.00 C ATOM 682 NZ LYS A 39 6.589 -1.796 -4.454 1.00 25.00 N ATOM 0 H LYS A 39 5.282 -2.827 2.563 1.00 25.00 H new ATOM 0 HA LYS A 39 5.345 -4.838 0.557 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.867 -2.807 0.622 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.267 -1.806 0.291 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.731 -4.042 -1.632 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.599 -2.704 -1.641 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.413 -1.097 -2.047 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.622 -2.352 -1.863 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.555 -3.560 -3.834 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.521 -2.163 -4.061 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 6.501 -2.026 -5.464 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.512 -0.767 -4.325 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.513 -2.120 -4.105 1.00 25.00 H new ATOM 696 N ASP A 40 7.944 -2.842 0.754 1.00 25.00 N ATOM 697 CA ASP A 40 9.306 -2.602 0.275 1.00 25.00 C ATOM 698 C ASP A 40 10.205 -3.827 0.481 1.00 25.00 C ATOM 699 O ASP A 40 10.846 -4.297 -0.450 1.00 25.00 O ATOM 700 CB ASP A 40 9.895 -1.393 1.011 1.00 25.00 C ATOM 701 CG ASP A 40 11.140 -0.851 0.338 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.115 -0.665 -0.899 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.116 -0.543 1.054 1.00 25.00 O ATOM 0 H ASP A 40 7.664 -2.246 1.533 1.00 25.00 H new ATOM 0 HA ASP A 40 9.261 -2.404 -0.796 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.144 -0.605 1.066 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.135 -1.677 2.036 1.00 25.00 H new ATOM 708 N THR A 41 10.230 -4.358 1.697 1.00 25.00 N ATOM 709 CA THR A 41 11.072 -5.519 2.002 1.00 25.00 C ATOM 710 C THR A 41 10.466 -6.841 1.509 1.00 25.00 C ATOM 711 O THR A 41 11.178 -7.808 1.248 1.00 25.00 O ATOM 712 CB THR A 41 11.293 -5.637 3.523 1.00 25.00 C ATOM 713 OG1 THR A 41 11.353 -4.327 4.094 1.00 25.00 O ATOM 714 CG2 THR A 41 12.593 -6.353 3.841 1.00 25.00 C ATOM 0 H THR A 41 9.684 -4.011 2.485 1.00 25.00 H new ATOM 0 HA THR A 41 12.014 -5.353 1.480 1.00 25.00 H new ATOM 0 HB THR A 41 10.463 -6.209 3.938 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.222 -4.386 5.063 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.717 -6.419 4.922 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.569 -7.357 3.417 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.428 -5.798 3.413 1.00 25.00 H new ATOM 722 N CYS A 42 9.146 -6.893 1.418 1.00 25.00 N ATOM 723 CA CYS A 42 8.435 -8.112 1.025 1.00 25.00 C ATOM 724 C CYS A 42 7.573 -7.915 -0.228 1.00 25.00 C ATOM 725 O CYS A 42 6.347 -7.788 -0.127 1.00 25.00 O ATOM 726 CB CYS A 42 7.533 -8.573 2.173 1.00 25.00 C ATOM 727 SG CYS A 42 8.377 -8.672 3.752 1.00 25.00 S ATOM 0 H CYS A 42 8.535 -6.099 1.612 1.00 25.00 H new ATOM 0 HA CYS A 42 9.192 -8.862 0.796 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.692 -7.885 2.262 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.120 -9.552 1.929 1.00 25.00 H new ATOM 0 HG CYS A 42 9.545 -9.217 3.586 1.00 25.00 H new ATOM 733 N PRO A 43 8.179 -7.949 -1.427 1.00 25.00 N ATOM 734 CA PRO A 43 7.351 -7.777 -2.629 1.00 25.00 C ATOM 735 C PRO A 43 6.419 -8.962 -2.884 1.00 25.00 C ATOM 736 O PRO A 43 5.431 -8.856 -3.599 1.00 25.00 O ATOM 737 CB PRO A 43 8.396 -7.636 -3.741 1.00 25.00 C ATOM 738 CG PRO A 43 9.558 -8.429 -3.253 1.00 25.00 C ATOM 739 CD PRO A 43 9.603 -8.150 -1.772 1.00 25.00 C ATOM 0 HA PRO A 43 6.675 -6.926 -2.550 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.022 -8.020 -4.690 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.666 -6.593 -3.904 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.427 -9.492 -3.454 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.482 -8.124 -3.744 1.00 25.00 H new ATOM 0 HD2 PRO A 43 10.039 -8.981 -1.218 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.201 -7.267 -1.546 1.00 25.00 H new ATOM 747 N TRP A 44 6.717 -10.084 -2.247 1.00 25.00 N ATOM 748 CA TRP A 44 5.887 -11.280 -2.330 1.00 25.00 C ATOM 749 C TRP A 44 4.669 -11.222 -1.403 1.00 25.00 C ATOM 750 O TRP A 44 3.752 -12.016 -1.537 1.00 25.00 O ATOM 751 CB TRP A 44 6.738 -12.500 -2.001 1.00 25.00 C ATOM 752 CG TRP A 44 7.832 -12.170 -1.039 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.700 -11.882 0.268 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.243 -12.063 -1.318 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.906 -11.613 0.854 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.885 -11.706 -0.096 1.00 25.00 C ATOM 757 CE3 TRP A 44 10.029 -12.217 -2.478 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.275 -11.500 -0.005 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.432 -12.016 -2.391 1.00 25.00 C ATOM 760 CH2 TRP A 44 12.035 -11.655 -1.149 1.00 25.00 C ATOM 0 H TRP A 44 7.542 -10.193 -1.657 1.00 25.00 H new ATOM 0 HA TRP A 44 5.502 -11.346 -3.347 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.106 -13.281 -1.579 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.169 -12.901 -2.918 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.756 -11.865 0.792 1.00 25.00 H new ATOM 0 HE1 TRP A 44 9.051 -11.381 1.837 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.571 -12.484 -3.419 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.735 -11.228 0.934 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 12.047 -12.137 -3.271 1.00 25.00 H new ATOM 0 HH2 TRP A 44 13.103 -11.500 -1.102 1.00 25.00 H new ATOM 771 N PHE A 45 4.631 -10.280 -0.471 1.00 25.00 N ATOM 772 CA PHE A 45 3.476 -10.185 0.430 1.00 25.00 C ATOM 773 C PHE A 45 2.189 -9.762 -0.306 1.00 25.00 C ATOM 774 O PHE A 45 1.172 -10.452 -0.191 1.00 25.00 O ATOM 775 CB PHE A 45 3.763 -9.251 1.608 1.00 25.00 C ATOM 776 CG PHE A 45 2.643 -9.195 2.611 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.484 -10.220 3.565 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.738 -8.121 2.608 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.435 -10.165 4.519 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.682 -8.060 3.552 1.00 25.00 C ATOM 781 CZ PHE A 45 0.537 -9.084 4.511 1.00 25.00 C ATOM 0 H PHE A 45 5.361 -9.585 -0.315 1.00 25.00 H new ATOM 0 HA PHE A 45 3.305 -11.187 0.823 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.674 -9.579 2.109 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.952 -8.247 1.229 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.168 -11.056 3.570 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.848 -7.333 1.878 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.327 -10.953 5.250 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.010 -7.231 3.537 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.261 -9.038 5.237 1.00 25.00 H new ATOM 791 N PRO A 46 2.216 -8.670 -1.111 1.00 25.00 N ATOM 792 CA PRO A 46 0.954 -8.426 -1.827 1.00 25.00 C ATOM 793 C PRO A 46 0.653 -9.476 -2.896 1.00 25.00 C ATOM 794 O PRO A 46 -0.499 -9.666 -3.264 1.00 25.00 O ATOM 795 CB PRO A 46 1.182 -7.050 -2.460 1.00 25.00 C ATOM 796 CG PRO A 46 2.637 -6.985 -2.677 1.00 25.00 C ATOM 797 CD PRO A 46 3.216 -7.633 -1.446 1.00 25.00 C ATOM 0 HA PRO A 46 0.093 -8.474 -1.161 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.635 -6.948 -3.397 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.842 -6.249 -1.804 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.930 -7.515 -3.583 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.979 -5.956 -2.785 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.196 -8.067 -1.642 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.341 -6.916 -0.634 1.00 25.00 H new ATOM 805 N GLN A 47 1.679 -10.180 -3.358 1.00 25.00 N ATOM 806 CA GLN A 47 1.518 -11.235 -4.357 1.00 25.00 C ATOM 807 C GLN A 47 0.716 -12.415 -3.793 1.00 25.00 C ATOM 808 O GLN A 47 -0.055 -13.042 -4.505 1.00 25.00 O ATOM 809 CB GLN A 47 2.901 -11.700 -4.821 1.00 25.00 C ATOM 810 CG GLN A 47 2.904 -12.486 -6.127 1.00 25.00 C ATOM 811 CD GLN A 47 4.304 -12.895 -6.531 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.952 -13.676 -5.848 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.785 -12.355 -7.619 1.00 25.00 N ATOM 0 H GLN A 47 2.642 -10.039 -3.054 1.00 25.00 H new ATOM 0 HA GLN A 47 0.961 -10.837 -5.205 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.543 -10.827 -4.937 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.342 -12.319 -4.040 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.282 -13.375 -6.018 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.459 -11.881 -6.917 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.214 -11.708 -8.163 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.732 -12.581 -7.925 1.00 25.00 H new ATOM 822 N GLU A 48 0.873 -12.693 -2.502 1.00 25.00 N ATOM 823 CA GLU A 48 0.113 -13.774 -1.854 1.00 25.00 C ATOM 824 C GLU A 48 -1.363 -13.397 -1.720 1.00 25.00 C ATOM 825 O GLU A 48 -2.227 -14.267 -1.620 1.00 25.00 O ATOM 826 CB GLU A 48 0.668 -14.079 -0.458 1.00 25.00 C ATOM 827 CG GLU A 48 2.100 -14.626 -0.464 1.00 25.00 C ATOM 828 CD GLU A 48 2.222 -16.022 0.140 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.499 -16.344 1.108 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.136 -16.770 -0.275 1.00 25.00 O ATOM 0 H GLU A 48 1.512 -12.194 -1.883 1.00 25.00 H new ATOM 0 HA GLU A 48 0.211 -14.658 -2.485 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.640 -13.168 0.140 1.00 25.00 H new ATOM 0 HB3 GLU A 48 0.016 -14.802 0.032 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.467 -14.650 -1.490 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.744 -13.942 0.089 1.00 25.00 H new ATOM 837 N GLY A 49 -1.641 -12.098 -1.698 1.00 25.00 N ATOM 838 CA GLY A 49 -3.010 -11.602 -1.646 1.00 25.00 C ATOM 839 C GLY A 49 -3.846 -12.056 -0.461 1.00 25.00 C ATOM 840 O GLY A 49 -5.067 -12.080 -0.546 1.00 25.00 O ATOM 0 H GLY A 49 -0.931 -11.366 -1.716 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.979 -10.512 -1.646 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.519 -11.906 -2.561 1.00 25.00 H new ATOM 844 N THR A 50 -3.204 -12.463 0.624 1.00 25.00 N ATOM 845 CA THR A 50 -3.917 -13.028 1.777 1.00 25.00 C ATOM 846 C THR A 50 -3.428 -12.410 3.079 1.00 25.00 C ATOM 847 O THR A 50 -2.216 -12.328 3.315 1.00 25.00 O ATOM 848 CB THR A 50 -3.669 -14.547 1.863 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.884 -15.163 0.590 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.592 -15.219 2.873 1.00 25.00 C ATOM 0 H THR A 50 -2.191 -12.416 0.737 1.00 25.00 H new ATOM 0 HA THR A 50 -4.977 -12.815 1.639 1.00 25.00 H new ATOM 0 HB THR A 50 -2.635 -14.676 2.182 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.189 -14.872 -0.036 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.383 -16.288 2.901 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.424 -14.790 3.861 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.630 -15.060 2.580 1.00 25.00 H new ATOM 858 N ILE A 51 -4.352 -12.014 3.943 1.00 25.00 N ATOM 859 CA ILE A 51 -4.004 -11.436 5.235 1.00 25.00 C ATOM 860 C ILE A 51 -4.316 -12.429 6.332 1.00 25.00 C ATOM 861 O ILE A 51 -5.450 -12.627 6.760 1.00 25.00 O ATOM 862 CB ILE A 51 -4.757 -10.131 5.520 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.471 -9.093 4.436 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.362 -9.554 6.925 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.040 -8.637 4.275 1.00 25.00 C ATOM 0 H ILE A 51 -5.355 -12.083 3.772 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.939 -11.206 5.207 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.824 -10.356 5.520 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.805 -9.501 3.482 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.084 -8.215 4.639 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.909 -8.628 7.105 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.612 -10.279 7.699 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.291 -9.353 6.948 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.981 -7.902 3.473 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.695 -8.187 5.206 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.411 -9.493 4.030 1.00 25.00 H new ATOM 877 N ASP A 52 -3.252 -13.028 6.807 1.00 25.00 N ATOM 878 CA ASP A 52 -3.322 -13.958 7.920 1.00 25.00 C ATOM 879 C ASP A 52 -1.994 -13.956 8.639 1.00 25.00 C ATOM 880 O ASP A 52 -0.983 -13.525 8.087 1.00 25.00 O ATOM 881 CB ASP A 52 -3.637 -15.378 7.465 1.00 25.00 C ATOM 882 CG ASP A 52 -3.798 -16.318 8.633 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.532 -15.960 9.586 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.972 -17.245 8.735 1.00 25.00 O ATOM 0 H ASP A 52 -2.312 -12.889 6.437 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.128 -13.634 8.578 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.552 -15.375 6.872 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.838 -15.738 6.817 1.00 25.00 H new ATOM 889 N ILE A 53 -1.984 -14.461 9.860 1.00 25.00 N ATOM 890 CA ILE A 53 -0.782 -14.514 10.666 1.00 25.00 C ATOM 891 C ILE A 53 0.255 -15.435 10.019 1.00 25.00 C ATOM 892 O ILE A 53 1.449 -15.200 10.136 1.00 25.00 O ATOM 893 CB ILE A 53 -1.143 -14.944 12.118 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.039 -14.737 13.079 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.637 -16.399 12.177 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.442 -13.279 13.284 1.00 25.00 C ATOM 0 H ILE A 53 -2.810 -14.845 10.319 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.330 -13.524 10.721 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.961 -14.300 12.442 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.216 -15.169 14.046 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.899 -15.289 12.700 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.878 -16.660 13.207 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.527 -16.506 11.557 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.856 -17.064 11.808 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.283 -13.228 13.976 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.732 -12.844 12.328 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.401 -12.723 13.695 1.00 25.00 H new ATOM 908 N LYS A 54 -0.189 -16.428 9.258 1.00 25.00 N ATOM 909 CA LYS A 54 0.743 -17.300 8.530 1.00 25.00 C ATOM 910 C LYS A 54 1.555 -16.508 7.508 1.00 25.00 C ATOM 911 O LYS A 54 2.716 -16.817 7.264 1.00 25.00 O ATOM 912 CB LYS A 54 -0.014 -18.424 7.812 1.00 25.00 C ATOM 913 CG LYS A 54 -0.599 -19.477 8.765 1.00 25.00 C ATOM 914 CD LYS A 54 0.215 -20.775 8.779 1.00 25.00 C ATOM 915 CE LYS A 54 -0.036 -21.614 7.516 1.00 25.00 C ATOM 916 NZ LYS A 54 0.720 -22.918 7.549 1.00 25.00 N ATOM 0 H LYS A 54 -1.175 -16.653 9.125 1.00 25.00 H new ATOM 0 HA LYS A 54 1.424 -17.733 9.263 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.822 -17.989 7.224 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.661 -18.915 7.111 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.639 -19.066 9.774 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.625 -19.699 8.470 1.00 25.00 H new ATOM 0 HD2 LYS A 54 1.276 -20.539 8.854 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.045 -21.359 9.662 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.103 -21.815 7.420 1.00 25.00 H new ATOM 0 HE3 LYS A 54 0.262 -21.044 6.636 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 0.524 -23.455 6.680 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 1.740 -22.726 7.615 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 0.418 -23.474 8.375 1.00 25.00 H new ATOM 930 N ARG A 55 0.950 -15.484 6.923 1.00 25.00 N ATOM 931 CA ARG A 55 1.648 -14.630 5.956 1.00 25.00 C ATOM 932 C ARG A 55 2.412 -13.540 6.694 1.00 25.00 C ATOM 933 O ARG A 55 3.546 -13.239 6.367 1.00 25.00 O ATOM 934 CB ARG A 55 0.654 -13.977 4.981 1.00 25.00 C ATOM 935 CG ARG A 55 0.245 -14.858 3.802 1.00 25.00 C ATOM 936 CD ARG A 55 -0.821 -15.899 4.160 1.00 25.00 C ATOM 937 NE ARG A 55 -1.268 -16.623 2.957 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.744 -17.743 2.476 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.243 -18.370 3.066 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.233 -18.240 1.373 1.00 25.00 N ATOM 0 H ARG A 55 -0.020 -15.220 7.096 1.00 25.00 H new ATOM 0 HA ARG A 55 2.339 -15.252 5.388 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.242 -13.693 5.533 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.095 -13.058 4.595 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.132 -14.225 2.999 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.127 -15.370 3.417 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.418 -16.605 4.886 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.672 -15.408 4.632 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.055 -16.225 2.445 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.639 -17.999 3.930 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.616 -19.229 2.661 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.003 -17.768 0.898 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.845 -19.100 0.985 1.00 25.00 H new ATOM 954 N TRP A 56 1.779 -12.958 7.699 1.00 25.00 N ATOM 955 CA TRP A 56 2.373 -11.856 8.454 1.00 25.00 C ATOM 956 C TRP A 56 3.640 -12.261 9.204 1.00 25.00 C ATOM 957 O TRP A 56 4.546 -11.458 9.373 1.00 25.00 O ATOM 958 CB TRP A 56 1.344 -11.286 9.428 1.00 25.00 C ATOM 959 CG TRP A 56 1.755 -9.958 9.990 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.035 -9.661 11.282 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.956 -8.727 9.265 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.386 -8.351 11.435 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.356 -7.740 10.214 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.851 -8.360 7.909 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.661 -6.414 9.842 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.158 -7.031 7.530 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.556 -6.070 8.507 1.00 25.00 C ATOM 0 H TRP A 56 0.848 -13.229 8.016 1.00 25.00 H new ATOM 0 HA TRP A 56 2.668 -11.095 7.732 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.387 -11.180 8.918 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.193 -11.991 10.245 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.986 -10.374 12.092 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.631 -7.902 12.317 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.541 -9.083 7.169 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.968 -5.687 10.580 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.090 -6.742 6.492 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.778 -5.059 8.199 1.00 25.00 H new ATOM 978 N ARG A 57 3.731 -13.520 9.615 1.00 25.00 N ATOM 979 CA ARG A 57 4.946 -14.017 10.270 1.00 25.00 C ATOM 980 C ARG A 57 6.144 -13.875 9.343 1.00 25.00 C ATOM 981 O ARG A 57 7.166 -13.341 9.740 1.00 25.00 O ATOM 982 CB ARG A 57 4.767 -15.469 10.705 1.00 25.00 C ATOM 983 CG ARG A 57 4.046 -15.581 12.046 1.00 25.00 C ATOM 984 CD ARG A 57 3.451 -16.966 12.249 1.00 25.00 C ATOM 985 NE ARG A 57 2.766 -17.079 13.551 1.00 25.00 N ATOM 986 CZ ARG A 57 3.338 -17.453 14.692 1.00 25.00 C ATOM 987 NH1 ARG A 57 4.611 -17.761 14.779 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.606 -17.517 15.769 1.00 25.00 N ATOM 0 H ARG A 57 2.990 -14.213 9.510 1.00 25.00 H new ATOM 0 HA ARG A 57 5.129 -13.417 11.161 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.203 -16.008 9.944 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.743 -15.948 10.777 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.744 -15.362 12.854 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.254 -14.833 12.098 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.745 -17.180 11.446 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.241 -17.714 12.187 1.00 25.00 H new ATOM 0 HE ARG A 57 1.772 -16.852 13.578 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.204 -17.718 13.950 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.007 -18.043 15.676 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.614 -17.283 15.726 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.025 -17.802 16.654 1.00 25.00 H new ATOM 1002 N ARG A 58 5.973 -14.269 8.088 1.00 25.00 N ATOM 1003 CA ARG A 58 7.045 -14.182 7.088 1.00 25.00 C ATOM 1004 C ARG A 58 7.505 -12.757 6.833 1.00 25.00 C ATOM 1005 O ARG A 58 8.639 -12.543 6.455 1.00 25.00 O ATOM 1006 CB ARG A 58 6.589 -14.816 5.776 1.00 25.00 C ATOM 1007 CG ARG A 58 6.458 -16.333 5.856 1.00 25.00 C ATOM 1008 CD ARG A 58 5.508 -16.856 4.792 1.00 25.00 C ATOM 1009 NE ARG A 58 5.939 -16.521 3.425 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.208 -16.709 2.332 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.016 -17.237 2.389 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.665 -16.356 1.169 1.00 25.00 N ATOM 0 H ARG A 58 5.099 -14.655 7.731 1.00 25.00 H new ATOM 0 HA ARG A 58 7.897 -14.726 7.495 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.628 -14.389 5.488 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.299 -14.560 4.990 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.438 -16.793 5.731 1.00 25.00 H new ATOM 0 HG3 ARG A 58 6.096 -16.618 6.844 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.425 -17.939 4.886 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.514 -16.444 4.965 1.00 25.00 H new ATOM 0 HE ARG A 58 6.867 -16.115 3.308 1.00 25.00 H new ATOM 0 HH11 ARG A 58 3.624 -17.516 3.288 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.476 -17.370 1.534 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.590 -15.932 1.092 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.100 -16.503 0.333 1.00 25.00 H new ATOM 1026 N VAL A 59 6.645 -11.780 7.068 1.00 25.00 N ATOM 1027 CA VAL A 59 7.027 -10.374 6.917 1.00 25.00 C ATOM 1028 C VAL A 59 8.057 -10.016 7.980 1.00 25.00 C ATOM 1029 O VAL A 59 9.043 -9.335 7.713 1.00 25.00 O ATOM 1030 CB VAL A 59 5.794 -9.441 7.067 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.195 -7.980 7.025 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.794 -9.742 5.977 1.00 25.00 C ATOM 0 H VAL A 59 5.680 -11.927 7.363 1.00 25.00 H new ATOM 0 HA VAL A 59 7.447 -10.236 5.921 1.00 25.00 H new ATOM 0 HB VAL A 59 5.339 -9.629 8.039 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.308 -7.356 7.133 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.888 -7.769 7.840 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.678 -7.763 6.072 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.930 -9.086 6.085 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.256 -9.577 5.004 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.473 -10.781 6.055 1.00 25.00 H new ATOM 1042 N GLY A 60 7.830 -10.497 9.190 1.00 25.00 N ATOM 1043 CA GLY A 60 8.740 -10.204 10.274 1.00 25.00 C ATOM 1044 C GLY A 60 10.022 -10.984 10.127 1.00 25.00 C ATOM 1045 O GLY A 60 11.097 -10.475 10.422 1.00 25.00 O ATOM 0 H GLY A 60 7.034 -11.084 9.441 1.00 25.00 H new ATOM 0 HA2 GLY A 60 8.959 -9.136 10.291 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.268 -10.448 11.226 1.00 25.00 H new ATOM 1049 N ASP A 61 9.907 -12.203 9.617 1.00 25.00 N ATOM 1050 CA ASP A 61 11.077 -13.039 9.355 1.00 25.00 C ATOM 1051 C ASP A 61 11.941 -12.348 8.292 1.00 25.00 C ATOM 1052 O ASP A 61 13.154 -12.313 8.395 1.00 25.00 O ATOM 1053 CB ASP A 61 10.651 -14.434 8.866 1.00 25.00 C ATOM 1054 CG ASP A 61 9.796 -15.189 9.890 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.087 -15.116 11.104 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.808 -15.849 9.469 1.00 25.00 O ATOM 0 H ASP A 61 9.016 -12.637 9.376 1.00 25.00 H new ATOM 0 HA ASP A 61 11.646 -13.167 10.276 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.091 -14.332 7.937 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.541 -15.021 8.639 1.00 25.00 H new ATOM 1061 N CYS A 62 11.293 -11.728 7.315 1.00 25.00 N ATOM 1062 CA CYS A 62 11.988 -10.991 6.257 1.00 25.00 C ATOM 1063 C CYS A 62 12.765 -9.802 6.817 1.00 25.00 C ATOM 1064 O CYS A 62 13.919 -9.563 6.449 1.00 25.00 O ATOM 1065 CB CYS A 62 10.969 -10.472 5.247 1.00 25.00 C ATOM 1066 SG CYS A 62 11.615 -10.322 3.570 1.00 25.00 S ATOM 0 H CYS A 62 10.277 -11.719 7.229 1.00 25.00 H new ATOM 0 HA CYS A 62 12.692 -11.675 5.783 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.109 -11.142 5.236 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.610 -9.497 5.576 1.00 25.00 H new ATOM 0 HG CYS A 62 10.946 -11.104 2.776 1.00 25.00 H new ATOM 1072 N PHE A 63 12.142 -9.057 7.724 1.00 25.00 N ATOM 1073 CA PHE A 63 12.819 -7.918 8.339 1.00 25.00 C ATOM 1074 C PHE A 63 14.015 -8.432 9.121 1.00 25.00 C ATOM 1075 O PHE A 63 15.057 -7.793 9.157 1.00 25.00 O ATOM 1076 CB PHE A 63 11.917 -7.160 9.321 1.00 25.00 C ATOM 1077 CG PHE A 63 10.687 -6.533 8.703 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.691 -6.018 7.388 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.511 -6.420 9.470 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.529 -5.403 6.847 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.353 -5.800 8.939 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.366 -5.293 7.628 1.00 25.00 C ATOM 0 H PHE A 63 11.187 -9.216 8.046 1.00 25.00 H new ATOM 0 HA PHE A 63 13.107 -7.237 7.538 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.601 -7.847 10.106 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.504 -6.377 9.800 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.586 -6.092 6.787 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.492 -6.811 10.476 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.540 -5.021 5.837 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.460 -5.717 9.541 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.484 -4.820 7.222 1.00 25.00 H new ATOM 1092 N GLN A 64 13.846 -9.578 9.765 1.00 25.00 N ATOM 1093 CA GLN A 64 14.889 -10.167 10.595 1.00 25.00 C ATOM 1094 C GLN A 64 16.069 -10.627 9.751 1.00 25.00 C ATOM 1095 O GLN A 64 17.212 -10.411 10.128 1.00 25.00 O ATOM 1096 CB GLN A 64 14.312 -11.346 11.376 1.00 25.00 C ATOM 1097 CG GLN A 64 15.239 -11.912 12.438 1.00 25.00 C ATOM 1098 CD GLN A 64 14.576 -13.014 13.234 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.507 -12.953 14.454 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.067 -14.008 12.554 1.00 25.00 N ATOM 0 H GLN A 64 12.986 -10.125 9.728 1.00 25.00 H new ATOM 0 HA GLN A 64 15.249 -9.408 11.289 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.384 -11.030 11.853 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.056 -12.140 10.674 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.141 -12.299 11.964 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.550 -11.114 13.112 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.145 -14.023 11.537 1.00 25.00 H new ATOM 0 HE22 GLN A 64 13.592 -14.768 13.040 1.00 25.00 H new ATOM 1109 N ASP A 65 15.803 -11.225 8.603 1.00 25.00 N ATOM 1110 CA ASP A 65 16.873 -11.678 7.717 1.00 25.00 C ATOM 1111 C ASP A 65 17.702 -10.483 7.254 1.00 25.00 C ATOM 1112 O ASP A 65 18.934 -10.492 7.317 1.00 25.00 O ATOM 1113 CB ASP A 65 16.291 -12.395 6.494 1.00 25.00 C ATOM 1114 CG ASP A 65 15.686 -13.747 6.841 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.129 -14.367 7.833 1.00 25.00 O ATOM 1116 OD2 ASP A 65 14.789 -14.204 6.100 1.00 25.00 O ATOM 0 H ASP A 65 14.861 -11.410 8.259 1.00 25.00 H new ATOM 0 HA ASP A 65 17.506 -12.374 8.268 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.527 -11.765 6.038 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.076 -12.533 5.750 1.00 25.00 H new ATOM 1121 N TYR A 66 17.025 -9.433 6.825 1.00 25.00 N ATOM 1122 CA TYR A 66 17.713 -8.241 6.344 1.00 25.00 C ATOM 1123 C TYR A 66 18.464 -7.540 7.485 1.00 25.00 C ATOM 1124 O TYR A 66 19.573 -7.030 7.300 1.00 25.00 O ATOM 1125 CB TYR A 66 16.699 -7.304 5.685 1.00 25.00 C ATOM 1126 CG TYR A 66 17.223 -6.640 4.432 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.475 -7.401 3.270 1.00 25.00 C ATOM 1128 CD2 TYR A 66 17.461 -5.252 4.385 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.969 -6.790 2.087 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.948 -4.636 3.194 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.201 -5.412 2.064 1.00 25.00 C ATOM 1132 OH TYR A 66 18.682 -4.818 0.924 1.00 25.00 O ATOM 0 H TYR A 66 16.007 -9.378 6.798 1.00 25.00 H new ATOM 0 HA TYR A 66 18.458 -8.531 5.603 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.800 -7.869 5.439 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.407 -6.535 6.400 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.289 -8.465 3.281 1.00 25.00 H new ATOM 0 HD2 TYR A 66 17.273 -4.648 5.260 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.165 -7.388 1.209 1.00 25.00 H new ATOM 0 HE2 TYR A 66 18.120 -3.570 3.168 1.00 25.00 H new ATOM 0 HH TYR A 66 18.786 -3.855 1.076 1.00 25.00 H new ATOM 1142 N PHE A 67 17.881 -7.570 8.678 1.00 25.00 N ATOM 1143 CA PHE A 67 18.514 -7.008 9.872 1.00 25.00 C ATOM 1144 C PHE A 67 19.744 -7.800 10.306 1.00 25.00 C ATOM 1145 O PHE A 67 20.728 -7.219 10.708 1.00 25.00 O ATOM 1146 CB PHE A 67 17.504 -6.988 11.024 1.00 25.00 C ATOM 1147 CG PHE A 67 18.036 -6.391 12.302 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.746 -7.186 13.224 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.807 -5.039 12.605 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.236 -6.631 14.435 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.278 -4.475 13.810 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.001 -5.270 14.726 1.00 25.00 C ATOM 0 H PHE A 67 16.963 -7.981 8.848 1.00 25.00 H new ATOM 0 HA PHE A 67 18.838 -5.998 9.622 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.625 -6.425 10.712 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.175 -8.008 11.222 1.00 25.00 H new ATOM 0 HD1 PHE A 67 18.919 -8.230 13.007 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.263 -4.422 11.906 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.786 -7.247 15.131 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.085 -3.436 14.031 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.372 -4.839 15.644 1.00 25.00 H new ATOM 1162 N ASN A 68 19.703 -9.124 10.252 1.00 25.00 N ATOM 1163 CA ASN A 68 20.842 -9.913 10.730 1.00 25.00 C ATOM 1164 C ASN A 68 22.039 -9.735 9.806 1.00 25.00 C ATOM 1165 O ASN A 68 23.180 -9.735 10.244 1.00 25.00 O ATOM 1166 CB ASN A 68 20.464 -11.397 10.897 1.00 25.00 C ATOM 1167 CG ASN A 68 21.027 -12.289 9.808 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.207 -12.635 8.863 1.00 25.00 O flip ATOM 1169 ND2 ASN A 68 22.172 -12.696 9.855 1.00 25.00 N flip ATOM 0 H ASN A 68 18.918 -9.668 9.893 1.00 25.00 H new ATOM 0 HA ASN A 68 21.125 -9.544 11.716 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.821 -11.748 11.865 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.378 -11.489 10.906 1.00 25.00 H new ATOM 0 HD21 ASN A 68 22.787 -12.402 10.614 1.00 25.00 H new ATOM 0 HD22 ASN A 68 22.517 -13.332 9.136 1.00 25.00 H new ATOM 1176 N THR A 69 21.753 -9.526 8.532 1.00 25.00 N ATOM 1177 CA THR A 69 22.796 -9.338 7.523 1.00 25.00 C ATOM 1178 C THR A 69 23.642 -8.072 7.754 1.00 25.00 C ATOM 1179 O THR A 69 24.861 -8.107 7.593 1.00 25.00 O ATOM 1180 CB THR A 69 22.164 -9.269 6.102 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.323 -10.407 5.896 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.222 -9.296 5.012 1.00 25.00 C ATOM 0 H THR A 69 20.802 -9.481 8.165 1.00 25.00 H new ATOM 0 HA THR A 69 23.460 -10.198 7.608 1.00 25.00 H new ATOM 0 HB THR A 69 21.604 -8.335 6.046 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.497 -10.301 6.412 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.740 -9.246 4.036 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.889 -8.442 5.131 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.797 -10.219 5.086 1.00 25.00 H new ATOM 1190 N PHE A 70 23.006 -6.947 8.073 1.00 25.00 N ATOM 1191 CA PHE A 70 23.730 -5.668 8.204 1.00 25.00 C ATOM 1192 C PHE A 70 23.519 -4.895 9.517 1.00 25.00 C ATOM 1193 O PHE A 70 23.990 -3.771 9.667 1.00 25.00 O ATOM 1194 CB PHE A 70 23.357 -4.774 7.031 1.00 25.00 C ATOM 1195 CG PHE A 70 24.356 -4.791 5.912 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.517 -3.997 5.984 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.141 -5.587 4.770 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.462 -4.000 4.930 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.079 -5.600 3.708 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.244 -4.804 3.791 1.00 25.00 C ATOM 0 H PHE A 70 22.003 -6.886 8.245 1.00 25.00 H new ATOM 0 HA PHE A 70 24.786 -5.938 8.212 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.387 -5.085 6.644 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.244 -3.751 7.388 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.688 -3.379 6.853 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.251 -6.195 4.703 1.00 25.00 H new ATOM 0 HE1 PHE A 70 27.349 -3.388 4.998 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.904 -6.216 2.838 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.964 -4.811 2.986 1.00 25.00 H new ATOM 1210 N GLY A 71 22.799 -5.470 10.460 1.00 25.00 N ATOM 1211 CA GLY A 71 22.543 -4.794 11.720 1.00 25.00 C ATOM 1212 C GLY A 71 21.426 -3.762 11.637 1.00 25.00 C ATOM 1213 O GLY A 71 20.673 -3.711 10.650 1.00 25.00 O ATOM 0 H GLY A 71 22.382 -6.398 10.381 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.287 -5.536 12.476 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.457 -4.303 12.053 1.00 25.00 H new ATOM 1217 N PRO A 72 21.297 -2.888 12.655 1.00 25.00 N ATOM 1218 CA PRO A 72 20.233 -1.873 12.675 1.00 25.00 C ATOM 1219 C PRO A 72 20.428 -0.753 11.662 1.00 25.00 C ATOM 1220 O PRO A 72 19.550 0.087 11.481 1.00 25.00 O ATOM 1221 CB PRO A 72 20.309 -1.336 14.107 1.00 25.00 C ATOM 1222 CG PRO A 72 21.737 -1.478 14.465 1.00 25.00 C ATOM 1223 CD PRO A 72 22.135 -2.804 13.868 1.00 25.00 C ATOM 0 HA PRO A 72 19.267 -2.297 12.400 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.985 -0.297 14.162 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.669 -1.905 14.782 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.333 -0.662 14.057 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.880 -1.468 15.546 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.198 -2.835 13.627 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.939 -3.630 14.552 1.00 25.00 H new ATOM 1231 N GLU A 73 21.564 -0.762 10.982 1.00 25.00 N ATOM 1232 CA GLU A 73 21.854 0.220 9.946 1.00 25.00 C ATOM 1233 C GLU A 73 21.040 -0.089 8.688 1.00 25.00 C ATOM 1234 O GLU A 73 20.875 0.762 7.816 1.00 25.00 O ATOM 1235 CB GLU A 73 23.352 0.196 9.623 1.00 25.00 C ATOM 1236 CG GLU A 73 24.226 0.492 10.844 1.00 25.00 C ATOM 1237 CD GLU A 73 25.713 0.545 10.515 1.00 25.00 C ATOM 1238 OE1 GLU A 73 26.079 0.450 9.323 1.00 25.00 O ATOM 1239 OE2 GLU A 73 26.515 0.694 11.463 1.00 25.00 O ATOM 0 H GLU A 73 22.307 -1.445 11.130 1.00 25.00 H new ATOM 0 HA GLU A 73 21.580 1.212 10.304 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.617 -0.782 9.221 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.563 0.929 8.844 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.922 1.444 11.279 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.054 -0.274 11.601 1.00 25.00 H new ATOM 1246 N LYS A 74 20.520 -1.310 8.605 1.00 25.00 N ATOM 1247 CA LYS A 74 19.713 -1.724 7.455 1.00 25.00 C ATOM 1248 C LYS A 74 18.220 -1.681 7.720 1.00 25.00 C ATOM 1249 O LYS A 74 17.451 -1.276 6.855 1.00 25.00 O ATOM 1250 CB LYS A 74 20.101 -3.141 7.045 1.00 25.00 C ATOM 1251 CG LYS A 74 20.236 -3.339 5.544 1.00 25.00 C ATOM 1252 CD LYS A 74 21.401 -2.537 4.962 1.00 25.00 C ATOM 1253 CE LYS A 74 21.735 -3.005 3.559 1.00 25.00 C ATOM 1254 NZ LYS A 74 23.006 -2.360 3.095 1.00 25.00 N ATOM 0 H LYS A 74 20.641 -2.031 9.317 1.00 25.00 H new ATOM 0 HA LYS A 74 19.919 -1.011 6.657 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.047 -3.399 7.521 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.352 -3.836 7.426 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.382 -4.398 5.330 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.309 -3.040 5.054 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.145 -1.478 4.945 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.276 -2.643 5.603 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.841 -4.090 3.544 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.921 -2.755 2.879 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 23.229 -2.685 2.133 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 22.890 -1.326 3.093 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 23.782 -2.620 3.737 1.00 25.00 H new ATOM 1268 N VAL A 75 17.808 -2.117 8.900 1.00 25.00 N ATOM 1269 CA VAL A 75 16.390 -2.132 9.259 1.00 25.00 C ATOM 1270 C VAL A 75 16.255 -1.469 10.624 1.00 25.00 C ATOM 1271 O VAL A 75 16.968 -1.833 11.564 1.00 25.00 O ATOM 1272 CB VAL A 75 15.846 -3.602 9.332 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.368 -3.638 9.760 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.998 -4.296 7.985 1.00 25.00 C ATOM 0 H VAL A 75 18.431 -2.466 9.628 1.00 25.00 H new ATOM 0 HA VAL A 75 15.812 -1.600 8.504 1.00 25.00 H new ATOM 0 HB VAL A 75 16.436 -4.128 10.082 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.026 -4.672 9.800 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.263 -3.183 10.745 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.767 -3.084 9.039 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.615 -5.314 8.055 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.436 -3.749 7.228 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.051 -4.323 7.706 1.00 25.00 H new ATOM 1284 N PRO A 76 15.320 -0.511 10.773 1.00 25.00 N ATOM 1285 CA PRO A 76 15.223 0.055 12.119 1.00 25.00 C ATOM 1286 C PRO A 76 14.635 -0.934 13.109 1.00 25.00 C ATOM 1287 O PRO A 76 13.719 -1.681 12.788 1.00 25.00 O ATOM 1288 CB PRO A 76 14.290 1.249 11.923 1.00 25.00 C ATOM 1289 CG PRO A 76 13.443 0.883 10.764 1.00 25.00 C ATOM 1290 CD PRO A 76 14.353 0.112 9.847 1.00 25.00 C ATOM 0 HA PRO A 76 16.195 0.323 12.532 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.686 1.429 12.813 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.852 2.162 11.729 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.590 0.279 11.073 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.044 1.769 10.271 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.806 -0.636 9.273 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.848 0.766 9.129 1.00 25.00 H new ATOM 1298 N VAL A 77 15.112 -0.900 14.342 1.00 25.00 N ATOM 1299 CA VAL A 77 14.606 -1.808 15.374 1.00 25.00 C ATOM 1300 C VAL A 77 13.127 -1.550 15.679 1.00 25.00 C ATOM 1301 O VAL A 77 12.414 -2.433 16.148 1.00 25.00 O ATOM 1302 CB VAL A 77 15.447 -1.707 16.682 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.888 -2.159 16.419 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.456 -0.264 17.234 1.00 25.00 C ATOM 0 H VAL A 77 15.843 -0.262 14.657 1.00 25.00 H new ATOM 0 HA VAL A 77 14.701 -2.819 14.978 1.00 25.00 H new ATOM 0 HB VAL A 77 14.986 -2.359 17.424 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.467 -2.084 17.340 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.888 -3.193 16.073 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.336 -1.522 15.656 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.051 -0.227 18.147 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.888 0.407 16.492 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.435 0.048 17.454 1.00 25.00 H new ATOM 1314 N THR A 78 12.639 -0.357 15.362 1.00 25.00 N ATOM 1315 CA THR A 78 11.233 -0.040 15.595 1.00 25.00 C ATOM 1316 C THR A 78 10.334 -0.728 14.578 1.00 25.00 C ATOM 1317 O THR A 78 9.157 -0.926 14.842 1.00 25.00 O ATOM 1318 CB THR A 78 10.968 1.487 15.598 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.723 1.753 16.242 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.914 2.070 14.211 1.00 25.00 C ATOM 0 H THR A 78 13.186 0.398 14.949 1.00 25.00 H new ATOM 0 HA THR A 78 10.991 -0.420 16.588 1.00 25.00 H new ATOM 0 HB THR A 78 11.799 1.951 16.130 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.017 1.839 15.567 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.726 3.142 14.274 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.865 1.897 13.707 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.112 1.593 13.647 1.00 25.00 H new ATOM 1328 N ALA A 79 10.876 -1.150 13.439 1.00 25.00 N ATOM 1329 CA ALA A 79 10.060 -1.856 12.453 1.00 25.00 C ATOM 1330 C ALA A 79 9.482 -3.128 13.072 1.00 25.00 C ATOM 1331 O ALA A 79 8.337 -3.473 12.825 1.00 25.00 O ATOM 1332 CB ALA A 79 10.884 -2.188 11.218 1.00 25.00 C ATOM 0 H ALA A 79 11.854 -1.020 13.178 1.00 25.00 H new ATOM 0 HA ALA A 79 9.238 -1.209 12.148 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.260 -2.713 10.495 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.259 -1.267 10.772 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.724 -2.822 11.501 1.00 25.00 H new ATOM 1338 N PHE A 80 10.260 -3.794 13.912 1.00 25.00 N ATOM 1339 CA PHE A 80 9.806 -5.013 14.582 1.00 25.00 C ATOM 1340 C PHE A 80 8.755 -4.709 15.647 1.00 25.00 C ATOM 1341 O PHE A 80 7.879 -5.523 15.924 1.00 25.00 O ATOM 1342 CB PHE A 80 10.993 -5.713 15.238 1.00 25.00 C ATOM 1343 CG PHE A 80 12.066 -6.097 14.267 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.987 -7.315 13.572 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.158 -5.241 14.028 1.00 25.00 C ATOM 1346 CE1 PHE A 80 12.985 -7.681 12.649 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.160 -5.592 13.099 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.069 -6.816 12.406 1.00 25.00 C ATOM 0 H PHE A 80 11.212 -3.514 14.149 1.00 25.00 H new ATOM 0 HA PHE A 80 9.356 -5.659 13.828 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.418 -5.057 15.998 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.640 -6.608 15.751 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.152 -7.977 13.747 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.229 -4.305 14.562 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.919 -8.625 12.128 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.992 -4.927 12.920 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.830 -7.090 11.690 1.00 25.00 H new ATOM 1358 N SER A 81 8.838 -3.527 16.237 1.00 25.00 N ATOM 1359 CA SER A 81 7.882 -3.116 17.269 1.00 25.00 C ATOM 1360 C SER A 81 6.551 -2.807 16.599 1.00 25.00 C ATOM 1361 O SER A 81 5.497 -3.270 17.034 1.00 25.00 O ATOM 1362 CB SER A 81 8.394 -1.881 18.017 1.00 25.00 C ATOM 1363 OG SER A 81 7.491 -1.492 19.037 1.00 25.00 O ATOM 0 H SER A 81 9.554 -2.832 16.024 1.00 25.00 H new ATOM 0 HA SER A 81 7.758 -3.921 17.994 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.370 -2.095 18.453 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.532 -1.058 17.315 1.00 25.00 H new ATOM 0 HG SER A 81 7.841 -0.703 19.500 1.00 25.00 H new ATOM 1369 N TYR A 82 6.621 -2.083 15.492 1.00 25.00 N ATOM 1370 CA TYR A 82 5.442 -1.774 14.695 1.00 25.00 C ATOM 1371 C TYR A 82 4.827 -3.066 14.191 1.00 25.00 C ATOM 1372 O TYR A 82 3.624 -3.261 14.266 1.00 25.00 O ATOM 1373 CB TYR A 82 5.826 -0.895 13.505 1.00 25.00 C ATOM 1374 CG TYR A 82 5.674 0.580 13.785 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.433 1.210 13.581 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.757 1.357 14.263 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.269 2.599 13.840 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.592 2.744 14.522 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.350 3.350 14.302 1.00 25.00 C ATOM 1380 OH TYR A 82 5.189 4.688 14.553 1.00 25.00 O ATOM 0 H TYR A 82 7.489 -1.695 15.122 1.00 25.00 H new ATOM 0 HA TYR A 82 4.723 -1.238 15.314 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.860 -1.101 13.227 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.206 -1.162 12.649 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.594 0.632 13.223 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.717 0.891 14.432 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.311 3.071 13.680 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.423 3.329 14.888 1.00 25.00 H new ATOM 0 HH TYR A 82 6.036 5.066 14.870 1.00 25.00 H new ATOM 1390 N TRP A 83 5.667 -3.965 13.704 1.00 25.00 N ATOM 1391 CA TRP A 83 5.210 -5.243 13.175 1.00 25.00 C ATOM 1392 C TRP A 83 4.461 -6.068 14.225 1.00 25.00 C ATOM 1393 O TRP A 83 3.427 -6.684 13.931 1.00 25.00 O ATOM 1394 CB TRP A 83 6.427 -6.025 12.676 1.00 25.00 C ATOM 1395 CG TRP A 83 6.095 -7.398 12.227 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.627 -7.786 11.015 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.192 -8.606 13.003 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.409 -9.130 10.969 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.738 -9.674 12.177 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.618 -8.897 14.314 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.689 -11.004 12.627 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.585 -10.239 14.766 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.114 -11.278 13.913 1.00 25.00 C ATOM 0 H TRP A 83 6.678 -3.833 13.663 1.00 25.00 H new ATOM 0 HA TRP A 83 4.512 -5.049 12.361 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.887 -5.481 11.851 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.168 -6.080 13.474 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.449 -7.113 10.189 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.057 -9.646 10.163 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.965 -8.108 14.965 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.328 -11.793 11.984 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.920 -10.476 15.765 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.089 -12.295 14.277 1.00 25.00 H new ATOM 1414 N ASN A 84 4.963 -6.060 15.455 1.00 25.00 N ATOM 1415 CA ASN A 84 4.352 -6.820 16.547 1.00 25.00 C ATOM 1416 C ASN A 84 2.957 -6.298 16.898 1.00 25.00 C ATOM 1417 O ASN A 84 2.109 -7.058 17.354 1.00 25.00 O ATOM 1418 CB ASN A 84 5.233 -6.766 17.798 1.00 25.00 C ATOM 1419 CG ASN A 84 6.125 -7.977 17.931 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.679 -9.054 18.315 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.378 -7.816 17.625 1.00 25.00 N ATOM 0 H ASN A 84 5.795 -5.534 15.725 1.00 25.00 H new ATOM 0 HA ASN A 84 4.259 -7.850 16.201 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.849 -5.867 17.766 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.599 -6.687 18.681 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.026 -8.600 17.701 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.713 -6.906 17.309 1.00 25.00 H new ATOM 1428 N LEU A 85 2.718 -5.016 16.660 1.00 25.00 N ATOM 1429 CA LEU A 85 1.423 -4.406 16.959 1.00 25.00 C ATOM 1430 C LEU A 85 0.338 -5.006 16.064 1.00 25.00 C ATOM 1431 O LEU A 85 -0.759 -5.319 16.518 1.00 25.00 O ATOM 1432 CB LEU A 85 1.531 -2.883 16.759 1.00 25.00 C ATOM 1433 CG LEU A 85 0.360 -1.982 17.170 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.902 -0.583 17.486 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.700 -1.874 16.064 1.00 25.00 C ATOM 0 H LEU A 85 3.403 -4.374 16.260 1.00 25.00 H new ATOM 0 HA LEU A 85 1.146 -4.608 17.994 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.411 -2.544 17.305 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.724 -2.705 15.701 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.117 -2.424 18.045 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.079 0.068 17.780 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.623 -0.648 18.301 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.390 -0.174 16.602 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.510 -1.226 16.399 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.247 -1.454 15.166 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.096 -2.865 15.841 1.00 25.00 H new ATOM 1447 N ILE A 86 0.647 -5.179 14.788 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.335 -5.724 13.845 1.00 25.00 C ATOM 1449 C ILE A 86 -0.400 -7.244 13.986 1.00 25.00 C ATOM 1450 O ILE A 86 -1.446 -7.857 13.792 1.00 25.00 O ATOM 1451 CB ILE A 86 -0.002 -5.345 12.381 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.159 -3.824 12.252 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -1.117 -5.803 11.429 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.543 -3.420 11.827 1.00 25.00 C ATOM 0 H ILE A 86 1.555 -4.956 14.380 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.304 -5.288 14.087 1.00 25.00 H new ATOM 0 HB ILE A 86 0.929 -5.844 12.112 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.563 -3.447 11.528 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.074 -3.356 13.208 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.860 -5.525 10.407 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.229 -6.885 11.494 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -2.055 -5.324 11.710 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.598 -2.334 11.752 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.266 -3.770 12.563 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.769 -3.862 10.857 1.00 25.00 H new ATOM 1466 N LYS A 87 0.717 -7.848 14.364 1.00 25.00 N ATOM 1467 CA LYS A 87 0.799 -9.294 14.556 1.00 25.00 C ATOM 1468 C LYS A 87 -0.290 -9.786 15.492 1.00 25.00 C ATOM 1469 O LYS A 87 -1.019 -10.707 15.149 1.00 25.00 O ATOM 1470 CB LYS A 87 2.189 -9.620 15.114 1.00 25.00 C ATOM 1471 CG LYS A 87 2.359 -10.969 15.790 1.00 25.00 C ATOM 1472 CD LYS A 87 3.526 -10.880 16.751 1.00 25.00 C ATOM 1473 CE LYS A 87 3.589 -12.051 17.706 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.691 -11.804 18.702 1.00 25.00 N ATOM 0 H LYS A 87 1.591 -7.354 14.546 1.00 25.00 H new ATOM 0 HA LYS A 87 0.650 -9.802 13.603 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.906 -9.558 14.296 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.457 -8.845 15.832 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.449 -11.243 16.323 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.539 -11.746 15.046 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.455 -10.829 16.183 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.451 -9.955 17.322 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.635 -12.171 18.220 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.775 -12.975 17.159 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.461 -12.485 18.544 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.054 -10.837 18.585 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.320 -11.920 19.666 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.417 -9.186 16.665 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.420 -9.652 17.624 1.00 25.00 C ATOM 1490 C GLU A 88 -2.840 -9.335 17.150 1.00 25.00 C ATOM 1491 O GLU A 88 -3.771 -10.073 17.452 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.170 -9.065 19.018 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.144 -7.548 19.081 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.072 -7.034 20.508 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -2.039 -7.261 21.271 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.114 -6.310 20.840 1.00 25.00 O ATOM 0 H GLU A 88 0.145 -8.393 16.976 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.325 -10.736 17.690 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.945 -9.428 19.693 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.219 -9.445 19.391 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.286 -7.177 18.520 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.037 -7.151 18.598 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.002 -8.275 16.369 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.320 -7.918 15.852 1.00 25.00 C ATOM 1505 C LEU A 89 -4.812 -8.957 14.844 1.00 25.00 C ATOM 1506 O LEU A 89 -5.976 -9.334 14.867 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.291 -6.528 15.203 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.225 -5.333 16.173 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.987 -4.044 15.390 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.520 -5.197 16.988 1.00 25.00 C ATOM 0 H LEU A 89 -2.247 -7.652 16.081 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.013 -7.897 16.693 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.430 -6.478 14.536 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.181 -6.419 14.583 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.401 -5.510 16.864 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.941 -3.202 16.081 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.046 -4.118 14.845 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.804 -3.891 14.685 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.438 -4.344 17.662 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.361 -5.046 16.312 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.681 -6.105 17.570 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.931 -9.440 13.982 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.313 -10.465 13.002 1.00 25.00 C ATOM 1524 C ILE A 90 -4.469 -11.815 13.705 1.00 25.00 C ATOM 1525 O ILE A 90 -5.402 -12.575 13.417 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.251 -10.616 11.867 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.088 -9.296 11.091 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.681 -11.725 10.872 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.898 -9.299 10.116 1.00 25.00 C ATOM 0 H ILE A 90 -2.955 -9.148 13.934 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.255 -10.149 12.553 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.302 -10.882 12.334 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -4.003 -9.096 10.534 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.963 -8.479 11.802 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.932 -11.819 10.086 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.773 -12.673 11.402 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.641 -11.463 10.428 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.844 -8.338 9.604 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.974 -9.467 10.670 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.031 -10.094 9.382 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.566 -12.109 14.633 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.593 -13.380 15.371 1.00 25.00 C ATOM 1543 C ASP A 91 -4.910 -13.513 16.124 1.00 25.00 C ATOM 1544 O ASP A 91 -5.476 -14.597 16.217 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.418 -13.441 16.356 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.241 -14.818 16.980 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.479 -15.633 16.404 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.770 -15.056 18.088 1.00 25.00 O ATOM 0 H ASP A 91 -2.802 -11.487 14.897 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.503 -14.204 14.663 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.501 -13.162 15.838 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.574 -12.707 17.146 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.423 -12.389 16.610 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.685 -12.364 17.343 1.00 25.00 C ATOM 1555 C LYS A 92 -7.772 -11.596 16.617 1.00 25.00 C ATOM 1556 O LYS A 92 -8.607 -10.949 17.245 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.459 -11.801 18.752 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.474 -12.625 19.591 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.964 -14.068 19.748 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.009 -14.917 20.526 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.315 -16.339 20.171 1.00 25.00 N ATOM 0 H LYS A 92 -4.981 -11.475 16.509 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.039 -13.392 17.418 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.088 -10.779 18.671 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.415 -11.753 19.273 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.493 -12.619 19.117 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.356 -12.168 20.573 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.933 -14.067 20.247 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.114 -14.507 18.761 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -3.978 -14.669 20.276 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.127 -14.751 21.597 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.673 -16.972 20.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.299 -16.557 20.428 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.186 -16.477 19.148 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.814 -11.727 15.294 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.880 -11.102 14.489 1.00 25.00 C ATOM 1577 C LYS A 93 -10.252 -11.621 14.933 1.00 25.00 C ATOM 1578 O LYS A 93 -11.254 -10.933 14.824 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.661 -11.361 12.983 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.814 -12.834 12.544 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.626 -13.011 11.028 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.170 -13.296 10.627 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.702 -14.655 11.090 1.00 25.00 N ATOM 0 H LYS A 93 -7.131 -12.255 14.752 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.845 -10.025 14.651 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.369 -10.754 12.419 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.662 -11.019 12.713 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.084 -13.447 13.073 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.801 -13.196 12.831 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.258 -13.830 10.683 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -8.966 -12.109 10.519 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.075 -13.232 9.543 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.522 -12.528 11.050 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.928 -14.983 10.477 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.363 -14.590 12.071 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.492 -15.330 11.041 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.249 -12.822 15.497 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.446 -13.493 16.010 1.00 25.00 C ATOM 1599 C GLU A 94 -12.165 -12.727 17.132 1.00 25.00 C ATOM 1600 O GLU A 94 -13.380 -12.816 17.257 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.031 -14.891 16.510 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.831 -14.878 17.499 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.330 -16.270 17.871 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.392 -17.181 17.020 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.776 -16.421 18.991 1.00 25.00 O ATOM 0 H GLU A 94 -9.398 -13.372 15.615 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.164 -13.551 15.192 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.886 -15.360 16.998 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.774 -15.511 15.651 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.011 -14.313 17.055 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.125 -14.352 18.407 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.427 -11.957 17.924 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.018 -11.179 19.025 1.00 25.00 C ATOM 1614 C VAL A 95 -11.763 -9.690 18.813 1.00 25.00 C ATOM 1615 O VAL A 95 -12.030 -8.864 19.678 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.480 -11.639 20.415 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.952 -13.068 20.722 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.945 -11.579 20.468 1.00 25.00 C ATOM 0 H VAL A 95 -10.417 -11.850 17.830 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.093 -11.359 19.020 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.876 -10.956 21.167 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.569 -13.376 21.695 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.042 -13.096 20.735 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.580 -13.747 19.954 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.602 -11.906 21.450 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.529 -12.233 19.702 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.615 -10.556 20.290 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.291 -9.349 17.624 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.084 -7.954 17.242 1.00 25.00 C ATOM 1630 C ASN A 96 -11.895 -7.688 15.974 1.00 25.00 C ATOM 1631 O ASN A 96 -11.338 -7.610 14.876 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.598 -7.672 16.988 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.827 -7.440 18.255 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -8.793 -6.333 18.765 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.181 -8.455 18.750 1.00 25.00 N ATOM 0 H ASN A 96 -11.041 -10.022 16.900 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.410 -7.298 18.049 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.160 -8.512 16.450 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.503 -6.797 16.345 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.621 -8.340 19.595 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.235 -9.366 18.294 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.222 -7.504 16.103 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.991 -7.294 14.868 1.00 25.00 C ATOM 1644 C PRO A 97 -13.668 -5.976 14.171 1.00 25.00 C ATOM 1645 O PRO A 97 -13.893 -5.821 12.973 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.441 -7.331 15.360 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.363 -6.864 16.769 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.099 -7.490 17.291 1.00 25.00 C ATOM 0 HA PRO A 97 -13.763 -8.044 14.110 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.081 -6.683 14.761 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.857 -8.337 15.297 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.323 -5.776 16.827 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.233 -7.182 17.344 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.667 -6.908 18.105 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.275 -8.495 17.675 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.093 -5.040 14.916 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.723 -3.744 14.369 1.00 25.00 C ATOM 1658 C GLN A 98 -11.644 -3.936 13.310 1.00 25.00 C ATOM 1659 O GLN A 98 -11.679 -3.326 12.244 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.202 -2.841 15.496 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.289 -1.355 15.199 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.697 -0.824 15.369 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -14.510 -0.912 14.471 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.986 -0.285 16.520 1.00 25.00 N ATOM 0 H GLN A 98 -12.873 -5.157 15.905 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.594 -3.273 13.913 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.767 -3.051 16.404 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.163 -3.098 15.700 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -11.615 -0.813 15.862 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.952 -1.169 14.179 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -13.276 -0.229 17.250 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.923 0.081 16.691 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.684 -4.800 13.615 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.597 -5.071 12.683 1.00 25.00 C ATOM 1675 C VAL A 99 -9.994 -6.141 11.670 1.00 25.00 C ATOM 1676 O VAL A 99 -9.467 -6.165 10.577 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.260 -5.433 13.416 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.148 -6.936 13.697 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.066 -4.959 12.587 1.00 25.00 C ATOM 0 H VAL A 99 -10.635 -5.320 14.491 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.408 -4.148 12.135 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.261 -4.921 14.379 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.206 -7.142 14.206 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.978 -7.251 14.329 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.180 -7.485 12.756 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.140 -5.214 13.103 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.084 -5.446 11.612 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.121 -3.879 12.454 1.00 25.00 H new ATOM 1689 N MET A 100 -10.941 -7.009 12.015 1.00 25.00 N ATOM 1690 CA MET A 100 -11.385 -8.061 11.093 1.00 25.00 C ATOM 1691 C MET A 100 -11.939 -7.447 9.806 1.00 25.00 C ATOM 1692 O MET A 100 -11.659 -7.920 8.711 1.00 25.00 O ATOM 1693 CB MET A 100 -12.444 -8.939 11.771 1.00 25.00 C ATOM 1694 CG MET A 100 -13.056 -10.006 10.873 1.00 25.00 C ATOM 1695 SD MET A 100 -11.823 -11.052 10.073 1.00 25.00 S ATOM 1696 CE MET A 100 -12.459 -11.046 8.360 1.00 25.00 C ATOM 0 H MET A 100 -11.415 -7.009 12.918 1.00 25.00 H new ATOM 0 HA MET A 100 -10.529 -8.684 10.832 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.993 -9.426 12.636 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.242 -8.298 12.146 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.724 -10.631 11.465 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.665 -9.523 10.109 1.00 25.00 H new ATOM 0 HE1 MET A 100 -12.275 -12.017 7.900 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.531 -10.846 8.370 1.00 25.00 H new ATOM 0 HE3 MET A 100 -11.951 -10.271 7.786 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.662 -6.344 9.918 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.165 -5.678 8.725 1.00 25.00 C ATOM 1708 C ALA A 101 -12.006 -5.157 7.854 1.00 25.00 C ATOM 1709 O ALA A 101 -12.102 -5.109 6.629 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.093 -4.529 9.129 1.00 25.00 C ATOM 0 H ALA A 101 -12.910 -5.898 10.801 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.727 -6.400 8.133 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.468 -4.032 8.234 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.931 -4.923 9.703 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.541 -3.812 9.737 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.906 -4.787 8.493 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.730 -4.294 7.788 1.00 25.00 C ATOM 1718 C ALA A 102 -8.976 -5.458 7.129 1.00 25.00 C ATOM 1719 O ALA A 102 -8.383 -5.277 6.084 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.808 -3.533 8.762 1.00 25.00 C ATOM 0 H ALA A 102 -10.802 -4.819 9.507 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.051 -3.607 7.006 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.932 -3.169 8.225 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.348 -2.688 9.190 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.491 -4.203 9.561 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.031 -6.645 7.724 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.391 -7.839 7.147 1.00 25.00 C ATOM 1728 C VAL A 103 -8.999 -8.083 5.769 1.00 25.00 C ATOM 1729 O VAL A 103 -8.279 -8.216 4.782 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.614 -9.104 8.062 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -8.149 -10.398 7.391 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.879 -8.939 9.401 1.00 25.00 C ATOM 0 H VAL A 103 -9.512 -6.814 8.608 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.316 -7.672 7.071 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.688 -9.178 8.233 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.324 -11.239 8.062 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.706 -10.549 6.466 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -7.085 -10.329 7.166 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -8.045 -9.822 10.018 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.811 -8.820 9.218 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.259 -8.058 9.918 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.324 -8.091 5.703 1.00 25.00 N ATOM 1743 CA ALA A 104 -11.017 -8.336 4.443 1.00 25.00 C ATOM 1744 C ALA A 104 -10.770 -7.200 3.442 1.00 25.00 C ATOM 1745 O ALA A 104 -10.529 -7.438 2.264 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.519 -8.508 4.700 1.00 25.00 C ATOM 0 H ALA A 104 -10.938 -7.932 6.502 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.621 -9.253 4.007 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -13.031 -8.691 3.755 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.679 -9.353 5.369 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.916 -7.602 5.159 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.820 -5.962 3.917 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.599 -4.820 3.036 1.00 25.00 C ATOM 1754 C GLN A 105 -9.187 -4.828 2.460 1.00 25.00 C ATOM 1755 O GLN A 105 -8.993 -4.503 1.295 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.830 -3.502 3.778 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.296 -3.074 3.835 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.453 -1.606 4.199 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.108 -0.721 3.425 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.978 -1.341 5.369 1.00 25.00 N ATOM 0 H GLN A 105 -11.008 -5.724 4.891 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.315 -4.904 2.219 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.449 -3.597 4.795 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.251 -2.716 3.293 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.764 -3.259 2.868 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.823 -3.686 4.567 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.254 -2.103 5.988 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.111 -0.373 5.661 1.00 25.00 H new ATOM 1769 N THR A 106 -8.198 -5.190 3.266 1.00 25.00 N ATOM 1770 CA THR A 106 -6.813 -5.179 2.801 1.00 25.00 C ATOM 1771 C THR A 106 -6.629 -6.220 1.715 1.00 25.00 C ATOM 1772 O THR A 106 -6.014 -5.931 0.705 1.00 25.00 O ATOM 1773 CB THR A 106 -5.797 -5.452 3.939 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.042 -4.567 5.029 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.369 -5.210 3.477 1.00 25.00 C ATOM 0 H THR A 106 -8.323 -5.491 4.232 1.00 25.00 H new ATOM 0 HA THR A 106 -6.617 -4.179 2.415 1.00 25.00 H new ATOM 0 HB THR A 106 -5.919 -6.493 4.237 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.748 -4.937 5.599 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.682 -5.410 4.299 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.139 -5.872 2.642 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.261 -4.173 3.158 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.189 -7.411 1.890 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.064 -8.454 0.868 1.00 25.00 C ATOM 1785 C GLU A 107 -7.591 -7.989 -0.481 1.00 25.00 C ATOM 1786 O GLU A 107 -6.936 -8.196 -1.488 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.805 -9.731 1.271 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.083 -10.512 2.340 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.696 -11.872 2.612 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.830 -12.141 2.172 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.003 -12.691 3.261 1.00 25.00 O ATOM 0 H GLU A 107 -7.726 -7.680 2.714 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.998 -8.667 0.782 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.801 -9.470 1.628 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.936 -10.362 0.392 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.043 -10.644 2.043 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.080 -9.932 3.263 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.744 -7.336 -0.509 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.318 -6.856 -1.772 1.00 25.00 C ATOM 1800 C GLU A 108 -8.408 -5.820 -2.437 1.00 25.00 C ATOM 1801 O GLU A 108 -8.215 -5.820 -3.656 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.696 -6.236 -1.522 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.772 -7.244 -1.123 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.293 -8.044 -2.312 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -11.558 -8.926 -2.822 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.437 -7.781 -2.744 1.00 25.00 O ATOM 0 H GLU A 108 -9.302 -7.124 0.318 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.415 -7.712 -2.440 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.607 -5.486 -0.736 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.017 -5.716 -2.425 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.366 -7.929 -0.379 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.602 -6.717 -0.652 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.814 -4.960 -1.623 1.00 25.00 N ATOM 1814 CA ILE A 109 -6.892 -3.939 -2.120 1.00 25.00 C ATOM 1815 C ILE A 109 -5.634 -4.627 -2.661 1.00 25.00 C ATOM 1816 O ILE A 109 -5.105 -4.229 -3.699 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.549 -2.906 -0.993 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.826 -2.122 -0.610 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.444 -1.917 -1.449 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.758 -1.424 0.750 1.00 25.00 C ATOM 0 H ILE A 109 -7.952 -4.946 -0.612 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.361 -3.380 -2.929 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.174 -3.454 -0.129 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.022 -1.374 -1.379 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.672 -2.809 -0.610 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.230 -1.214 -0.644 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.539 -2.472 -1.697 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -5.786 -1.369 -2.327 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.695 -0.899 0.937 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.595 -2.166 1.532 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.935 -0.709 0.751 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.186 -5.692 -2.009 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.024 -6.435 -2.497 1.00 25.00 C ATOM 1834 C LEU A 110 -4.319 -7.064 -3.852 1.00 25.00 C ATOM 1835 O LEU A 110 -3.469 -7.031 -4.723 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.579 -7.541 -1.524 1.00 25.00 C ATOM 1837 CG LEU A 110 -3.028 -7.156 -0.140 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.466 -8.409 0.534 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -1.954 -6.076 -0.217 1.00 25.00 C ATOM 0 H LEU A 110 -5.600 -6.060 -1.152 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.214 -5.711 -2.585 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.434 -8.198 -1.364 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.813 -8.131 -2.028 1.00 25.00 H new ATOM 0 HG LEU A 110 -3.848 -6.741 0.446 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.072 -8.148 1.516 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.259 -9.149 0.645 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -1.666 -8.824 -0.079 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.600 -5.842 0.787 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -1.121 -6.434 -0.821 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.373 -5.178 -0.672 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.517 -7.612 -4.053 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.864 -8.226 -5.348 1.00 25.00 C ATOM 1853 C LYS A 111 -5.729 -7.198 -6.459 1.00 25.00 C ATOM 1854 O LYS A 111 -5.175 -7.481 -7.518 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.308 -8.764 -5.375 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.655 -9.798 -4.308 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.904 -11.114 -4.443 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.953 -11.876 -3.121 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.351 -12.075 -2.596 1.00 25.00 N ATOM 0 H LYS A 111 -6.257 -7.647 -3.352 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.177 -9.060 -5.493 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.991 -7.921 -5.272 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.492 -9.205 -6.354 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.446 -9.373 -3.326 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.726 -9.999 -4.348 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.347 -11.716 -5.237 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.869 -10.925 -4.726 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.481 -12.849 -3.254 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.367 -11.336 -2.377 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.330 -12.738 -1.795 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.736 -11.162 -2.280 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.953 -12.463 -3.350 1.00 25.00 H new ATOM 1873 N SER A 112 -6.237 -6.000 -6.208 1.00 25.00 N ATOM 1874 CA SER A 112 -6.224 -4.925 -7.197 1.00 25.00 C ATOM 1875 C SER A 112 -4.810 -4.456 -7.536 1.00 25.00 C ATOM 1876 O SER A 112 -4.563 -3.988 -8.638 1.00 25.00 O ATOM 1877 CB SER A 112 -7.028 -3.735 -6.671 1.00 25.00 C ATOM 1878 OG SER A 112 -7.153 -2.730 -7.663 1.00 25.00 O ATOM 0 H SER A 112 -6.668 -5.744 -5.320 1.00 25.00 H new ATOM 0 HA SER A 112 -6.670 -5.323 -8.108 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.018 -4.069 -6.359 1.00 25.00 H new ATOM 0 HB3 SER A 112 -6.539 -3.322 -5.789 1.00 25.00 H new ATOM 0 HG SER A 112 -7.672 -1.980 -7.305 1.00 25.00 H new ATOM 1884 N ASN A 113 -3.900 -4.568 -6.578 1.00 25.00 N ATOM 1885 CA ASN A 113 -2.527 -4.083 -6.741 1.00 25.00 C ATOM 1886 C ASN A 113 -1.516 -5.234 -6.747 1.00 25.00 C ATOM 1887 O ASN A 113 -0.391 -5.102 -6.264 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.204 -3.089 -5.623 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.033 -1.836 -5.713 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -3.104 -1.201 -6.754 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -3.650 -1.471 -4.629 1.00 25.00 N ATOM 0 H ASN A 113 -4.086 -4.994 -5.670 1.00 25.00 H new ATOM 0 HA ASN A 113 -2.451 -3.584 -7.707 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.373 -3.565 -4.657 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.147 -2.826 -5.668 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -4.220 -0.625 -4.627 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -3.564 -2.030 -3.780 1.00 25.00 H new ATOM 1898 N SER A 114 -1.931 -6.363 -7.301 1.00 25.00 N ATOM 1899 CA SER A 114 -1.067 -7.535 -7.435 1.00 25.00 C ATOM 1900 C SER A 114 -0.853 -7.777 -8.920 1.00 25.00 C ATOM 1901 O SER A 114 -1.357 -7.016 -9.745 1.00 25.00 O ATOM 1902 CB SER A 114 -1.709 -8.766 -6.785 1.00 25.00 C ATOM 1903 OG SER A 114 -2.922 -9.111 -7.436 1.00 25.00 O ATOM 0 H SER A 114 -2.872 -6.497 -7.670 1.00 25.00 H new ATOM 0 HA SER A 114 -0.117 -7.359 -6.930 1.00 25.00 H new ATOM 0 HB2 SER A 114 -1.017 -9.607 -6.828 1.00 25.00 H new ATOM 0 HB3 SER A 114 -1.902 -8.566 -5.731 1.00 25.00 H new ATOM 0 HG SER A 114 -3.569 -8.383 -7.329 1.00 25.00 H new ATOM 1909 N GLN A 115 -0.123 -8.842 -9.253 1.00 25.00 N ATOM 1910 CA GLN A 115 0.128 -9.265 -10.625 1.00 25.00 C ATOM 1911 C GLN A 115 0.775 -8.172 -11.489 1.00 25.00 C ATOM 1912 O GLN A 115 0.724 -8.211 -12.715 1.00 25.00 O ATOM 1913 CB GLN A 115 -1.179 -9.747 -11.244 1.00 25.00 C ATOM 1914 CG GLN A 115 -1.909 -10.828 -10.443 1.00 25.00 C ATOM 1915 CD GLN A 115 -3.326 -11.028 -10.928 1.00 25.00 C ATOM 1916 OE1 GLN A 115 -3.575 -11.756 -11.874 1.00 25.00 O ATOM 1917 NE2 GLN A 115 -4.259 -10.378 -10.281 1.00 25.00 N ATOM 0 H GLN A 115 0.318 -9.445 -8.559 1.00 25.00 H new ATOM 0 HA GLN A 115 0.851 -10.080 -10.593 1.00 25.00 H new ATOM 0 HB2 GLN A 115 -1.845 -8.892 -11.364 1.00 25.00 H new ATOM 0 HB3 GLN A 115 -0.971 -10.132 -12.242 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -1.363 -11.768 -10.520 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -1.922 -10.552 -9.389 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -4.011 -9.778 -9.494 1.00 25.00 H new ATOM 0 HE22 GLN A 115 -5.235 -10.471 -10.563 1.00 25.00 H new ATOM 1926 N THR A 116 1.406 -7.208 -10.834 1.00 25.00 N ATOM 1927 CA THR A 116 2.049 -6.087 -11.514 1.00 25.00 C ATOM 1928 C THR A 116 3.512 -6.395 -11.801 1.00 25.00 C ATOM 1929 O THR A 116 4.377 -5.522 -11.832 1.00 25.00 O ATOM 1930 CB THR A 116 1.941 -4.826 -10.670 1.00 25.00 C ATOM 1931 OG1 THR A 116 0.890 -4.989 -9.714 1.00 25.00 O ATOM 1932 CG2 THR A 116 1.625 -3.664 -11.551 1.00 25.00 C ATOM 0 H THR A 116 1.488 -7.179 -9.818 1.00 25.00 H new ATOM 0 HA THR A 116 1.536 -5.926 -12.462 1.00 25.00 H new ATOM 0 HB THR A 116 2.886 -4.649 -10.156 1.00 25.00 H new ATOM 0 HG1 THR A 116 0.817 -4.179 -9.166 1.00 25.00 H new ATOM 0 HG21 THR A 116 1.547 -2.760 -10.947 1.00 25.00 H new ATOM 0 HG22 THR A 116 2.418 -3.541 -12.289 1.00 25.00 H new ATOM 0 HG23 THR A 116 0.679 -3.841 -12.062 1.00 25.00 H new ATOM 1940 N ASP A 117 3.754 -7.670 -12.020 1.00 25.00 N ATOM 1941 CA ASP A 117 5.084 -8.233 -12.252 1.00 25.00 C ATOM 1942 C ASP A 117 5.519 -8.025 -13.711 1.00 25.00 C ATOM 1943 O ASP A 117 6.021 -8.936 -14.366 1.00 25.00 O ATOM 1944 CB ASP A 117 5.044 -9.734 -11.924 1.00 25.00 C ATOM 1945 CG ASP A 117 4.606 -10.007 -10.491 1.00 25.00 C ATOM 1946 OD1 ASP A 117 3.379 -10.132 -10.247 1.00 25.00 O ATOM 1947 OD2 ASP A 117 5.480 -10.103 -9.608 1.00 25.00 O ATOM 0 H ASP A 117 3.014 -8.371 -12.044 1.00 25.00 H new ATOM 0 HA ASP A 117 5.807 -7.727 -11.612 1.00 25.00 H new ATOM 0 HB2 ASP A 117 4.361 -10.234 -12.611 1.00 25.00 H new ATOM 0 HB3 ASP A 117 6.032 -10.165 -12.087 1.00 25.00 H new ATOM 1952 N LEU A 118 5.260 -6.834 -14.231 1.00 25.00 N ATOM 1953 CA LEU A 118 5.506 -6.523 -15.638 1.00 25.00 C ATOM 1954 C LEU A 118 6.323 -5.248 -15.784 1.00 25.00 C ATOM 1955 O LEU A 118 6.005 -4.220 -15.193 1.00 25.00 O ATOM 1956 CB LEU A 118 4.174 -6.310 -16.364 1.00 25.00 C ATOM 1957 CG LEU A 118 3.084 -7.389 -16.204 1.00 25.00 C ATOM 1958 CD1 LEU A 118 1.772 -6.875 -16.794 1.00 25.00 C ATOM 1959 CD2 LEU A 118 3.478 -8.699 -16.892 1.00 25.00 C ATOM 0 H LEU A 118 4.875 -6.056 -13.695 1.00 25.00 H new ATOM 0 HA LEU A 118 6.055 -7.361 -16.068 1.00 25.00 H new ATOM 0 HB2 LEU A 118 3.757 -5.361 -16.026 1.00 25.00 H new ATOM 0 HB3 LEU A 118 4.386 -6.204 -17.428 1.00 25.00 H new ATOM 0 HG LEU A 118 2.965 -7.594 -15.140 1.00 25.00 H new ATOM 0 HD11 LEU A 118 1.000 -7.636 -16.682 1.00 25.00 H new ATOM 0 HD12 LEU A 118 1.467 -5.969 -16.270 1.00 25.00 H new ATOM 0 HD13 LEU A 118 1.911 -6.652 -17.852 1.00 25.00 H new ATOM 0 HD21 LEU A 118 2.685 -9.434 -16.757 1.00 25.00 H new ATOM 0 HD22 LEU A 118 3.629 -8.520 -17.957 1.00 25.00 H new ATOM 0 HD23 LEU A 118 4.401 -9.077 -16.453 1.00 25.00 H new ATOM 1971 N GLU A 119 7.319 -5.284 -16.651 1.00 25.00 N ATOM 1972 CA GLU A 119 8.104 -4.092 -16.975 1.00 25.00 C ATOM 1973 C GLU A 119 8.269 -4.015 -18.490 1.00 25.00 C ATOM 1974 O GLU A 119 8.463 -5.030 -19.150 1.00 25.00 O ATOM 1975 CB GLU A 119 9.485 -4.127 -16.304 1.00 25.00 C ATOM 1976 CG GLU A 119 10.198 -2.767 -16.366 1.00 25.00 C ATOM 1977 CD GLU A 119 11.669 -2.824 -15.984 1.00 25.00 C ATOM 1978 OE1 GLU A 119 12.191 -3.906 -15.675 1.00 25.00 O ATOM 1979 OE2 GLU A 119 12.328 -1.768 -16.122 1.00 25.00 O ATOM 0 H GLU A 119 7.609 -6.126 -17.148 1.00 25.00 H new ATOM 0 HA GLU A 119 7.578 -3.213 -16.601 1.00 25.00 H new ATOM 0 HB2 GLU A 119 9.373 -4.429 -15.263 1.00 25.00 H new ATOM 0 HB3 GLU A 119 10.104 -4.882 -16.790 1.00 25.00 H new ATOM 0 HG2 GLU A 119 10.110 -2.368 -17.376 1.00 25.00 H new ATOM 0 HG3 GLU A 119 9.687 -2.069 -15.702 1.00 25.00 H new ATOM 1986 N HIS A 120 8.167 -2.812 -19.046 1.00 25.00 N ATOM 1987 CA HIS A 120 8.264 -2.618 -20.501 1.00 25.00 C ATOM 1988 C HIS A 120 9.266 -1.513 -20.857 1.00 25.00 C ATOM 1989 O HIS A 120 9.031 -0.712 -21.760 1.00 25.00 O ATOM 1990 CB HIS A 120 6.871 -2.303 -21.072 1.00 25.00 C ATOM 1991 CG HIS A 120 5.839 -3.344 -20.748 1.00 25.00 C ATOM 1992 ND1 HIS A 120 4.520 -3.046 -20.386 1.00 25.00 N ATOM 1993 CD2 HIS A 120 5.904 -4.705 -20.711 1.00 25.00 C ATOM 1994 CE1 HIS A 120 3.873 -4.184 -20.151 1.00 25.00 C ATOM 1995 NE2 HIS A 120 4.689 -5.188 -20.341 1.00 25.00 N ATOM 0 H HIS A 120 8.017 -1.953 -18.517 1.00 25.00 H new ATOM 0 HA HIS A 120 8.634 -3.540 -20.949 1.00 25.00 H new ATOM 0 HB2 HIS A 120 6.538 -1.340 -20.684 1.00 25.00 H new ATOM 0 HB3 HIS A 120 6.946 -2.202 -22.155 1.00 25.00 H new ATOM 0 HD2 HIS A 120 6.776 -5.300 -20.938 1.00 25.00 H new ATOM 0 HE1 HIS A 120 2.839 -4.266 -19.851 1.00 25.00 H new ATOM 0 HE2 HIS A 120 4.452 -6.174 -20.230 1.00 25.00 H new ATOM 2003 N HIS A 121 10.371 -1.449 -20.125 1.00 25.00 N ATOM 2004 CA HIS A 121 11.398 -0.420 -20.360 1.00 25.00 C ATOM 2005 C HIS A 121 12.053 -0.595 -21.741 1.00 25.00 C ATOM 2006 O HIS A 121 12.820 -1.521 -21.961 1.00 25.00 O ATOM 2007 CB HIS A 121 12.467 -0.482 -19.255 1.00 25.00 C ATOM 2008 CG HIS A 121 12.441 0.693 -18.325 1.00 25.00 C ATOM 2009 ND1 HIS A 121 13.235 1.834 -18.489 1.00 25.00 N ATOM 2010 CD2 HIS A 121 11.735 0.929 -17.185 1.00 25.00 C ATOM 2011 CE1 HIS A 121 12.976 2.680 -17.500 1.00 25.00 C ATOM 2012 NE2 HIS A 121 12.082 2.155 -16.706 1.00 25.00 N ATOM 0 H HIS A 121 10.587 -2.092 -19.363 1.00 25.00 H new ATOM 0 HA HIS A 121 10.914 0.556 -20.337 1.00 25.00 H new ATOM 0 HB2 HIS A 121 12.326 -1.395 -18.677 1.00 25.00 H new ATOM 0 HB3 HIS A 121 13.452 -0.546 -19.718 1.00 25.00 H new ATOM 0 HD1 HIS A 121 13.903 1.990 -19.244 1.00 25.00 H new ATOM 0 HD2 HIS A 121 11.019 0.256 -16.736 1.00 25.00 H new ATOM 0 HE1 HIS A 121 13.433 3.650 -17.372 1.00 25.00 H new ATOM 2020 N HIS A 122 11.748 0.310 -22.668 1.00 25.00 N ATOM 2021 CA HIS A 122 12.283 0.237 -24.044 1.00 25.00 C ATOM 2022 C HIS A 122 13.807 0.412 -24.080 1.00 25.00 C ATOM 2023 O HIS A 122 14.477 -0.033 -25.007 1.00 25.00 O ATOM 2024 CB HIS A 122 11.607 1.305 -24.924 1.00 25.00 C ATOM 2025 CG HIS A 122 11.698 1.033 -26.399 1.00 25.00 C ATOM 2026 ND1 HIS A 122 10.990 1.763 -27.360 1.00 25.00 N ATOM 2027 CD2 HIS A 122 12.397 0.110 -27.119 1.00 25.00 C ATOM 2028 CE1 HIS A 122 11.275 1.276 -28.565 1.00 25.00 C ATOM 2029 NE2 HIS A 122 12.117 0.286 -28.439 1.00 25.00 N ATOM 0 H HIS A 122 11.133 1.107 -22.500 1.00 25.00 H new ATOM 0 HA HIS A 122 12.060 -0.756 -24.434 1.00 25.00 H new ATOM 0 HB2 HIS A 122 10.556 1.379 -24.643 1.00 25.00 H new ATOM 0 HB3 HIS A 122 12.062 2.273 -24.715 1.00 25.00 H new ATOM 0 HD2 HIS A 122 13.062 -0.636 -26.710 1.00 25.00 H new ATOM 0 HE1 HIS A 122 10.874 1.641 -29.499 1.00 25.00 H new ATOM 0 HE2 HIS A 122 12.502 -0.266 -29.205 1.00 25.00 H new ATOM 2037 N HIS A 123 14.352 1.053 -23.057 1.00 25.00 N ATOM 2038 CA HIS A 123 15.795 1.201 -22.899 1.00 25.00 C ATOM 2039 C HIS A 123 16.046 0.861 -21.443 1.00 25.00 C ATOM 2040 O HIS A 123 15.128 0.988 -20.640 1.00 25.00 O ATOM 2041 CB HIS A 123 16.249 2.641 -23.182 1.00 25.00 C ATOM 2042 CG HIS A 123 15.961 3.109 -24.578 1.00 25.00 C ATOM 2043 ND1 HIS A 123 16.189 2.336 -25.722 1.00 25.00 N ATOM 2044 CD2 HIS A 123 15.482 4.290 -25.052 1.00 25.00 C ATOM 2045 CE1 HIS A 123 15.858 3.049 -26.793 1.00 25.00 C ATOM 2046 NE2 HIS A 123 15.434 4.224 -26.411 1.00 25.00 N ATOM 0 H HIS A 123 13.808 1.486 -22.311 1.00 25.00 H new ATOM 0 HA HIS A 123 16.344 0.565 -23.593 1.00 25.00 H new ATOM 0 HB2 HIS A 123 15.758 3.311 -22.477 1.00 25.00 H new ATOM 0 HB3 HIS A 123 17.321 2.716 -22.999 1.00 25.00 H new ATOM 0 HD2 HIS A 123 15.189 5.138 -24.451 1.00 25.00 H new ATOM 0 HE1 HIS A 123 15.928 2.711 -27.816 1.00 25.00 H new ATOM 0 HE2 HIS A 123 15.118 4.971 -27.030 1.00 25.00 H new ATOM 2054 N HIS A 124 17.249 0.422 -21.101 1.00 25.00 N ATOM 2055 CA HIS A 124 17.585 0.171 -19.697 1.00 25.00 C ATOM 2056 C HIS A 124 17.697 1.552 -19.077 1.00 25.00 C ATOM 2057 O HIS A 124 18.278 2.433 -19.700 1.00 25.00 O ATOM 2058 CB HIS A 124 18.914 -0.579 -19.562 1.00 25.00 C ATOM 2059 CG HIS A 124 18.887 -1.963 -20.136 1.00 25.00 C ATOM 2060 ND1 HIS A 124 18.071 -2.993 -19.647 1.00 25.00 N ATOM 2061 CD2 HIS A 124 19.581 -2.531 -21.160 1.00 25.00 C ATOM 2062 CE1 HIS A 124 18.298 -4.091 -20.363 1.00 25.00 C ATOM 2063 NE2 HIS A 124 19.198 -3.832 -21.275 1.00 25.00 N ATOM 0 H HIS A 124 18.003 0.233 -21.762 1.00 25.00 H new ATOM 0 HA HIS A 124 16.835 -0.452 -19.211 1.00 25.00 H new ATOM 0 HB2 HIS A 124 19.697 -0.005 -20.058 1.00 25.00 H new ATOM 0 HB3 HIS A 124 19.182 -0.638 -18.507 1.00 25.00 H new ATOM 0 HD2 HIS A 124 20.313 -2.033 -21.778 1.00 25.00 H new ATOM 0 HE1 HIS A 124 17.815 -5.045 -20.214 1.00 25.00 H new ATOM 0 HE2 HIS A 124 19.555 -4.497 -21.961 1.00 25.00 H new ATOM 2071 N HIS A 125 17.125 1.721 -17.887 1.00 25.00 N ATOM 2072 CA HIS A 125 17.004 3.035 -17.237 1.00 25.00 C ATOM 2073 C HIS A 125 16.314 4.005 -18.201 1.00 25.00 C ATOM 2074 O HIS A 125 15.473 3.520 -18.998 1.00 25.00 O ATOM 2075 CB HIS A 125 18.372 3.582 -16.783 1.00 25.00 C ATOM 2076 CG HIS A 125 19.073 2.707 -15.789 1.00 25.00 C ATOM 2077 ND1 HIS A 125 18.665 2.573 -14.458 1.00 25.00 N ATOM 2078 CD2 HIS A 125 20.174 1.915 -15.893 1.00 25.00 C ATOM 2079 CE1 HIS A 125 19.496 1.742 -13.837 1.00 25.00 C ATOM 2080 NE2 HIS A 125 20.409 1.336 -14.682 1.00 25.00 N ATOM 2081 OXT HIS A 125 16.543 5.213 -18.092 1.00 25.00 O ATOM 0 H HIS A 125 16.731 0.954 -17.342 1.00 25.00 H new ATOM 0 HA HIS A 125 16.401 2.925 -16.335 1.00 25.00 H new ATOM 0 HB2 HIS A 125 19.011 3.707 -17.657 1.00 25.00 H new ATOM 0 HB3 HIS A 125 18.231 4.571 -16.347 1.00 25.00 H new ATOM 0 HD2 HIS A 125 20.763 1.769 -16.786 1.00 25.00 H new ATOM 0 HE1 HIS A 125 19.428 1.449 -12.800 1.00 25.00 H new ATOM 0 HE2 HIS A 125 21.171 0.692 -14.469 1.00 25.00 H new TER 2089 HIS A 125