USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=29 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 -126:sc= 0.781 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.722 USER MOD Set 2.1: A 11 TYR OH : rot 34:sc= 0.204 USER MOD Set 2.2: A 106 THR OG1 : rot 74:sc= 1.44 USER MOD Set 3.1: A 84 ASN : amide:sc= 1.48 K(o=2.4,f=-2.2) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 173:sc= 0.957 (180deg=0) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= 0.031 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 139:sc= 0.0329 (180deg=0) USER MOD Set 5.1: A 64 GLN : amide:sc= 0.253 K(o=0.53,f=-0.23) USER MOD Set 5.2: A 68 ASN : amide:sc= 0.278 K(o=0.53,f=-0.89) USER MOD Set 6.1: A 47 GLN : amide:sc= 0.334 K(o=0.69,f=0.018) USER MOD Set 6.2: A 115 GLN : amide:sc= 0.358 K(o=0.69,f=0.018) USER MOD Set 7.1: A 42 CYS SG : rot -28:sc= -0.257 USER MOD Set 7.2: A 62 CYS SG : rot 130:sc= 0.467 USER MOD Set 8.1: A 3 GLN : amide:sc= 0 K(o=1.3,f=-0.24) USER MOD Set 8.2: A 39 LYS NZ :NH3+ -169:sc= 1.34 (180deg=1.21) USER MOD Single : A 6 SER OG : rot -80:sc= 0.524 USER MOD Single : A 7 GLN : amide:sc= 0.845 K(o=0.85,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-1.9) USER MOD Single : A 14 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.36) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.21) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0358 (180deg=-0.167) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.615 USER MOD Single : A 50 THR OG1 : rot 65:sc= 0.662 USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= 1.15 (180deg=0.214) USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.788 USER MOD Single : A 78 THR OG1 : rot -36:sc= 0.00662 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+ -143:sc= 1.01 (180deg=0.309) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= 1.52 (180deg=-0.493) USER MOD Single : A 96 ASN : amide:sc= 0.679 K(o=0.68,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.165 K(o=0.17,f=-3.4!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0355 K(o=-0.036,f=-0.63) USER MOD Single : A 111 LYS NZ :NH3+ -143:sc= 0.55 (180deg=-0.324) USER MOD Single : A 112 SER OG : rot -32:sc= 0.168 USER MOD Single : A 113 ASN : amide:sc= -0.0831 K(o=-0.083,f=-2.4!) USER MOD Single : A 120 HIS : no HE2:sc= -0.649 X(o=-0.65,f=-0.99) USER MOD Single : A 121 HIS : no HE2:sc= -0.612 K(o=-0.61,f=-3.8!) USER MOD Single : A 122 HIS : no HE2:sc= -0.236 K(o=-0.24,f=-3.5!) USER MOD Single : A 123 HIS : no HD1:sc= -0.984 K(o=-0.98,f=0) USER MOD Single : A 124 HIS : no HD1:sc=-0.00562 X(o=-0.0056,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.443 K(o=0.44,f=-2!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.346 0.238 1.010 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.697 0.729 0.614 1.00 25.00 O HETATM 3 C2 MYR A 1 1.118 -0.819 0.230 1.00 25.00 C HETATM 4 C3 MYR A 1 0.496 -2.248 0.296 1.00 25.00 C HETATM 5 C4 MYR A 1 0.368 -2.787 1.752 1.00 25.00 C HETATM 6 C5 MYR A 1 0.487 -4.343 1.840 1.00 25.00 C HETATM 7 C6 MYR A 1 -0.303 -4.963 3.046 1.00 25.00 C HETATM 8 C7 MYR A 1 0.390 -4.779 4.439 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.070 -3.509 5.227 1.00 25.00 C HETATM 10 C9 MYR A 1 -1.385 -3.720 6.038 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.118 -4.271 7.474 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.427 -4.452 8.296 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.169 -5.791 7.964 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.364 -6.079 8.924 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.600 -5.197 8.633 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.332 -4.146 8.745 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.944 -5.377 7.614 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.397 -5.445 9.334 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.646 -7.129 8.840 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.043 -5.917 9.953 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.535 -5.752 6.938 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.459 -6.617 8.018 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.190 -4.427 9.360 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.094 -3.613 8.098 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.603 -5.229 7.402 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.452 -3.590 8.003 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.920 -2.773 6.109 1.00 25.00 H new HETATM 0 H91 MYR A 1 -2.033 -4.413 5.501 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.724 -3.208 5.910 1.00 25.00 H new HETATM 0 H81 MYR A 1 -0.214 -2.688 4.525 1.00 25.00 H new HETATM 0 H72 MYR A 1 0.193 -5.661 5.048 1.00 25.00 H new HETATM 0 H71 MYR A 1 1.469 -4.729 4.291 1.00 25.00 H new HETATM 0 H62 MYR A 1 -1.294 -4.512 3.085 1.00 25.00 H new HETATM 0 H61 MYR A 1 -0.444 -6.028 2.862 1.00 25.00 H new HETATM 0 H52 MYR A 1 0.120 -4.781 0.912 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.539 -4.615 1.927 1.00 25.00 H new HETATM 0 H42 MYR A 1 1.142 -2.333 2.371 1.00 25.00 H new HETATM 0 H41 MYR A 1 -0.592 -2.478 2.165 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.490 -2.231 -0.168 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.111 -2.934 -0.287 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.180 -0.510 -0.814 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.138 -0.862 0.611 1.00 25.00 H new ATOM 43 N GLY A 2 0.958 0.660 2.141 1.00 25.00 N ATOM 44 CA GLY A 2 0.475 1.723 3.019 1.00 25.00 C ATOM 45 C GLY A 2 0.308 3.039 2.284 1.00 25.00 C ATOM 46 O GLY A 2 -0.545 3.857 2.645 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.480 1.427 3.454 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.174 1.856 3.845 1.00 25.00 H new ATOM 50 N GLN A 3 1.082 3.222 1.222 1.00 25.00 N ATOM 51 CA GLN A 3 0.982 4.410 0.382 1.00 25.00 C ATOM 52 C GLN A 3 -0.445 4.568 -0.154 1.00 25.00 C ATOM 53 O GLN A 3 -0.968 5.670 -0.203 1.00 25.00 O ATOM 54 CB GLN A 3 2.004 4.337 -0.779 1.00 25.00 C ATOM 55 CG GLN A 3 1.830 3.138 -1.745 1.00 25.00 C ATOM 56 CD GLN A 3 2.904 3.075 -2.815 1.00 25.00 C ATOM 57 OE1 GLN A 3 4.077 2.892 -2.531 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.499 3.201 -4.052 1.00 25.00 N ATOM 0 H GLN A 3 1.793 2.556 0.919 1.00 25.00 H new ATOM 0 HA GLN A 3 1.216 5.286 0.987 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.938 5.259 -1.356 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.007 4.297 -0.355 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.843 2.212 -1.171 1.00 25.00 H new ATOM 0 HG3 GLN A 3 0.853 3.203 -2.223 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.510 3.353 -4.252 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.172 3.147 -4.817 1.00 25.00 H new ATOM 67 N GLU A 4 -1.081 3.470 -0.532 1.00 25.00 N ATOM 68 CA GLU A 4 -2.451 3.512 -1.029 1.00 25.00 C ATOM 69 C GLU A 4 -3.462 3.458 0.105 1.00 25.00 C ATOM 70 O GLU A 4 -4.480 4.141 0.078 1.00 25.00 O ATOM 71 CB GLU A 4 -2.687 2.354 -1.991 1.00 25.00 C ATOM 72 CG GLU A 4 -4.074 2.367 -2.593 1.00 25.00 C ATOM 73 CD GLU A 4 -4.139 1.591 -3.887 1.00 25.00 C ATOM 74 OE1 GLU A 4 -3.436 1.979 -4.843 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.859 0.575 -3.944 1.00 25.00 O ATOM 0 H GLU A 4 -0.671 2.536 -0.505 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.588 4.458 -1.552 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.948 2.396 -2.791 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.533 1.412 -1.464 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.782 1.943 -1.881 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.381 3.397 -2.773 1.00 25.00 H new ATOM 82 N LEU A 5 -3.184 2.636 1.106 1.00 25.00 N ATOM 83 CA LEU A 5 -4.123 2.440 2.215 1.00 25.00 C ATOM 84 C LEU A 5 -4.447 3.766 2.918 1.00 25.00 C ATOM 85 O LEU A 5 -5.612 4.077 3.126 1.00 25.00 O ATOM 86 CB LEU A 5 -3.570 1.410 3.207 1.00 25.00 C ATOM 87 CG LEU A 5 -3.417 -0.037 2.700 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.731 -0.887 3.761 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.755 -0.658 2.344 1.00 25.00 C ATOM 0 H LEU A 5 -2.323 2.094 1.179 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.056 2.056 1.803 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.593 1.756 3.545 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.223 1.396 4.080 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.810 -0.005 1.795 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.626 -1.909 3.397 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.745 -0.475 3.976 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.331 -0.886 4.671 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.601 -1.678 1.991 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.396 -0.672 3.226 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.231 -0.071 1.559 1.00 25.00 H new ATOM 101 N SER A 6 -3.431 4.572 3.206 1.00 25.00 N ATOM 102 CA SER A 6 -3.621 5.935 3.719 1.00 25.00 C ATOM 103 C SER A 6 -4.460 6.871 2.839 1.00 25.00 C ATOM 104 O SER A 6 -5.104 7.778 3.356 1.00 25.00 O ATOM 105 CB SER A 6 -2.252 6.595 3.913 1.00 25.00 C ATOM 106 OG SER A 6 -1.533 6.645 2.693 1.00 25.00 O ATOM 0 H SER A 6 -2.453 4.305 3.093 1.00 25.00 H new ATOM 0 HA SER A 6 -4.176 5.803 4.648 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.383 7.604 4.303 1.00 25.00 H new ATOM 0 HB3 SER A 6 -1.678 6.039 4.654 1.00 25.00 H new ATOM 0 HG SER A 6 -1.125 5.771 2.518 1.00 25.00 H new ATOM 112 N GLN A 7 -4.443 6.680 1.527 1.00 25.00 N ATOM 113 CA GLN A 7 -5.208 7.542 0.621 1.00 25.00 C ATOM 114 C GLN A 7 -6.627 7.010 0.449 1.00 25.00 C ATOM 115 O GLN A 7 -7.532 7.727 0.023 1.00 25.00 O ATOM 116 CB GLN A 7 -4.531 7.607 -0.750 1.00 25.00 C ATOM 117 CG GLN A 7 -3.161 8.267 -0.726 1.00 25.00 C ATOM 118 CD GLN A 7 -2.549 8.345 -2.107 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.909 9.188 -2.910 1.00 25.00 O ATOM 120 NE2 GLN A 7 -1.632 7.461 -2.389 1.00 25.00 N ATOM 0 H GLN A 7 -3.913 5.942 1.063 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.246 8.540 1.057 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.430 6.596 -1.144 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.176 8.154 -1.438 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.249 9.271 -0.310 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.499 7.706 -0.067 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.357 6.771 -1.690 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.190 7.460 -3.308 1.00 25.00 H new ATOM 129 N HIS A 8 -6.823 5.741 0.769 1.00 25.00 N ATOM 130 CA HIS A 8 -8.128 5.111 0.611 1.00 25.00 C ATOM 131 C HIS A 8 -8.973 5.448 1.825 1.00 25.00 C ATOM 132 O HIS A 8 -9.012 4.688 2.785 1.00 25.00 O ATOM 133 CB HIS A 8 -7.972 3.593 0.461 1.00 25.00 C ATOM 134 CG HIS A 8 -9.131 2.932 -0.223 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.361 1.556 -0.189 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.138 3.429 -0.993 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.446 1.282 -0.904 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.927 2.394 -1.394 1.00 25.00 N ATOM 0 H HIS A 8 -6.098 5.126 1.139 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.617 5.484 -0.289 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.062 3.384 -0.102 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.844 3.151 1.449 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.286 4.469 -1.244 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.864 0.298 -1.056 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.758 2.474 -1.981 1.00 25.00 H new ATOM 146 N GLU A 9 -9.628 6.598 1.810 1.00 25.00 N ATOM 147 CA GLU A 9 -10.343 7.070 2.995 1.00 25.00 C ATOM 148 C GLU A 9 -11.347 6.066 3.569 1.00 25.00 C ATOM 149 O GLU A 9 -11.472 5.976 4.767 1.00 25.00 O ATOM 150 CB GLU A 9 -11.025 8.416 2.742 1.00 25.00 C ATOM 151 CG GLU A 9 -11.563 9.032 4.039 1.00 25.00 C ATOM 152 CD GLU A 9 -11.915 10.498 3.911 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.432 10.912 2.855 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.676 11.241 4.894 1.00 25.00 O ATOM 0 H GLU A 9 -9.682 7.219 1.003 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.570 7.194 3.753 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -10.315 9.102 2.280 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.844 8.282 2.036 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.449 8.480 4.354 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.817 8.913 4.825 1.00 25.00 H new ATOM 161 N ARG A 10 -12.000 5.252 2.751 1.00 25.00 N ATOM 162 CA ARG A 10 -12.916 4.234 3.296 1.00 25.00 C ATOM 163 C ARG A 10 -12.188 3.203 4.178 1.00 25.00 C ATOM 164 O ARG A 10 -12.704 2.785 5.210 1.00 25.00 O ATOM 165 CB ARG A 10 -13.673 3.532 2.159 1.00 25.00 C ATOM 166 CG ARG A 10 -14.804 2.596 2.625 1.00 25.00 C ATOM 167 CD ARG A 10 -15.886 3.350 3.407 1.00 25.00 C ATOM 168 NE ARG A 10 -17.081 2.522 3.638 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.094 2.850 4.437 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.112 3.953 5.137 1.00 25.00 N ATOM 171 NH2 ARG A 10 -19.110 2.039 4.539 1.00 25.00 N ATOM 0 H ARG A 10 -11.923 5.266 1.734 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.631 4.752 3.935 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -14.095 4.290 1.499 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.962 2.955 1.568 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.254 2.111 1.759 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.387 1.807 3.251 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.480 3.675 4.365 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.169 4.249 2.859 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.137 1.629 3.149 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.328 4.604 5.084 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.910 4.164 5.736 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -19.121 1.167 4.011 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.893 2.277 5.147 1.00 25.00 H new ATOM 185 N TYR A 11 -10.972 2.838 3.801 1.00 25.00 N ATOM 186 CA TYR A 11 -10.160 1.931 4.612 1.00 25.00 C ATOM 187 C TYR A 11 -9.711 2.674 5.864 1.00 25.00 C ATOM 188 O TYR A 11 -9.838 2.173 6.983 1.00 25.00 O ATOM 189 CB TYR A 11 -8.944 1.459 3.814 1.00 25.00 C ATOM 190 CG TYR A 11 -8.016 0.547 4.584 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.318 -0.817 4.749 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.818 1.042 5.143 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.435 -1.681 5.451 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.931 0.180 5.845 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.248 -1.175 5.986 1.00 25.00 C ATOM 196 OH TYR A 11 -5.393 -2.006 6.665 1.00 25.00 O ATOM 0 H TYR A 11 -10.523 3.153 2.941 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.746 1.055 4.891 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.289 0.938 2.921 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.383 2.331 3.478 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.234 -1.213 4.336 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.572 2.088 5.036 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.681 -2.726 5.571 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.017 0.570 6.267 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.419 -2.900 6.264 1.00 25.00 H new ATOM 206 N VAL A 12 -9.233 3.898 5.670 1.00 25.00 N ATOM 207 CA VAL A 12 -8.815 4.756 6.788 1.00 25.00 C ATOM 208 C VAL A 12 -9.958 4.946 7.789 1.00 25.00 C ATOM 209 O VAL A 12 -9.732 4.930 8.983 1.00 25.00 O ATOM 210 CB VAL A 12 -8.336 6.155 6.284 1.00 25.00 C ATOM 211 CG1 VAL A 12 -7.972 7.090 7.454 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.121 5.999 5.382 1.00 25.00 C ATOM 0 H VAL A 12 -9.123 4.325 4.750 1.00 25.00 H new ATOM 0 HA VAL A 12 -7.982 4.255 7.282 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.162 6.599 5.729 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -7.644 8.053 7.062 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -8.846 7.236 8.089 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.168 6.644 8.040 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -6.796 6.980 5.037 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.313 5.524 5.939 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.382 5.380 4.523 1.00 25.00 H new ATOM 222 N GLU A 13 -11.178 5.098 7.301 1.00 25.00 N ATOM 223 CA GLU A 13 -12.359 5.317 8.136 1.00 25.00 C ATOM 224 C GLU A 13 -12.545 4.208 9.157 1.00 25.00 C ATOM 225 O GLU A 13 -12.786 4.471 10.336 1.00 25.00 O ATOM 226 CB GLU A 13 -13.600 5.405 7.242 1.00 25.00 C ATOM 227 CG GLU A 13 -14.872 5.824 7.953 1.00 25.00 C ATOM 228 CD GLU A 13 -16.095 5.678 7.053 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.937 5.668 5.810 1.00 25.00 O ATOM 230 OE2 GLU A 13 -17.208 5.504 7.588 1.00 25.00 O ATOM 0 H GLU A 13 -11.384 5.073 6.302 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.217 6.249 8.683 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.401 6.113 6.438 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -13.764 4.433 6.777 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.005 5.218 8.849 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.782 6.860 8.280 1.00 25.00 H new ATOM 237 N GLN A 14 -12.394 2.969 8.723 1.00 25.00 N ATOM 238 CA GLN A 14 -12.546 1.847 9.620 1.00 25.00 C ATOM 239 C GLN A 14 -11.308 1.793 10.530 1.00 25.00 C ATOM 240 O GLN A 14 -11.412 1.546 11.736 1.00 25.00 O ATOM 241 CB GLN A 14 -12.774 0.580 8.772 1.00 25.00 C ATOM 242 CG GLN A 14 -11.746 -0.526 8.912 1.00 25.00 C ATOM 243 CD GLN A 14 -11.737 -1.146 10.295 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.693 -1.308 10.911 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.900 -1.462 10.799 1.00 25.00 N ATOM 0 H GLN A 14 -12.168 2.720 7.760 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.411 1.938 10.277 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.751 0.171 9.027 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.816 0.875 7.724 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.949 -1.301 8.173 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.756 -0.126 8.691 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.749 -1.312 10.255 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.959 -1.859 11.737 1.00 25.00 H new ATOM 254 N LEU A 15 -10.150 2.113 9.968 1.00 25.00 N ATOM 255 CA LEU A 15 -8.891 2.119 10.713 1.00 25.00 C ATOM 256 C LEU A 15 -8.875 3.170 11.821 1.00 25.00 C ATOM 257 O LEU A 15 -8.141 3.014 12.790 1.00 25.00 O ATOM 258 CB LEU A 15 -7.706 2.330 9.758 1.00 25.00 C ATOM 259 CG LEU A 15 -6.904 1.094 9.304 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.940 0.648 10.396 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.790 -0.074 8.896 1.00 25.00 C ATOM 0 H LEU A 15 -10.053 2.375 8.987 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.797 1.145 11.194 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.083 2.828 8.865 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.011 3.019 10.238 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.345 1.402 8.420 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.384 -0.225 10.056 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.244 1.457 10.620 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.501 0.393 11.295 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -7.167 -0.913 8.587 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -8.409 -0.374 9.742 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.430 0.227 8.067 1.00 25.00 H new ATOM 273 N LYS A 16 -9.689 4.219 11.709 1.00 25.00 N ATOM 274 CA LYS A 16 -9.799 5.229 12.775 1.00 25.00 C ATOM 275 C LYS A 16 -10.176 4.527 14.071 1.00 25.00 C ATOM 276 O LYS A 16 -9.664 4.855 15.137 1.00 25.00 O ATOM 277 CB LYS A 16 -10.870 6.294 12.452 1.00 25.00 C ATOM 278 CG LYS A 16 -10.547 7.229 11.265 1.00 25.00 C ATOM 279 CD LYS A 16 -11.750 8.125 10.920 1.00 25.00 C ATOM 280 CE LYS A 16 -11.624 8.790 9.524 1.00 25.00 C ATOM 281 NZ LYS A 16 -10.554 9.836 9.413 1.00 25.00 N ATOM 0 H LYS A 16 -10.281 4.396 10.898 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.839 5.736 12.865 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.811 5.785 12.244 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.028 6.906 13.340 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.686 7.850 11.512 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.272 6.634 10.394 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.662 7.529 10.952 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.849 8.901 11.679 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.429 8.013 8.785 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.581 9.243 9.266 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -10.545 10.223 8.448 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -10.745 10.601 10.091 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -9.629 9.410 9.624 1.00 25.00 H new ATOM 295 N GLN A 17 -11.053 3.540 13.969 1.00 25.00 N ATOM 296 CA GLN A 17 -11.475 2.784 15.139 1.00 25.00 C ATOM 297 C GLN A 17 -10.402 1.786 15.552 1.00 25.00 C ATOM 298 O GLN A 17 -10.109 1.647 16.729 1.00 25.00 O ATOM 299 CB GLN A 17 -12.783 2.030 14.856 1.00 25.00 C ATOM 300 CG GLN A 17 -13.942 2.922 14.395 1.00 25.00 C ATOM 301 CD GLN A 17 -14.286 4.015 15.391 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.155 3.845 16.593 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.727 5.139 14.891 1.00 25.00 N ATOM 0 H GLN A 17 -11.485 3.245 13.093 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.637 3.494 15.950 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.595 1.276 14.092 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.085 1.500 15.759 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.684 3.378 13.439 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.823 2.303 14.225 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.823 5.245 13.881 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -14.975 5.910 15.511 1.00 25.00 H new ATOM 312 N ALA A 18 -9.820 1.085 14.589 1.00 25.00 N ATOM 313 CA ALA A 18 -8.833 0.047 14.893 1.00 25.00 C ATOM 314 C ALA A 18 -7.545 0.598 15.540 1.00 25.00 C ATOM 315 O ALA A 18 -6.994 -0.019 16.453 1.00 25.00 O ATOM 316 CB ALA A 18 -8.515 -0.742 13.629 1.00 25.00 C ATOM 0 H ALA A 18 -10.010 1.212 13.595 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.278 -0.613 15.637 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.780 -1.514 13.857 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.426 -1.208 13.252 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.111 -0.069 12.872 1.00 25.00 H new ATOM 322 N LEU A 19 -7.089 1.771 15.110 1.00 25.00 N ATOM 323 CA LEU A 19 -5.918 2.403 15.735 1.00 25.00 C ATOM 324 C LEU A 19 -6.261 2.695 17.200 1.00 25.00 C ATOM 325 O LEU A 19 -5.439 2.510 18.101 1.00 25.00 O ATOM 326 CB LEU A 19 -5.534 3.724 15.026 1.00 25.00 C ATOM 327 CG LEU A 19 -4.250 3.703 14.162 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.475 3.105 12.773 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.665 5.110 13.986 1.00 25.00 C ATOM 0 H LEU A 19 -7.501 2.302 14.343 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.067 1.726 15.655 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.367 4.023 14.390 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.420 4.497 15.786 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.551 3.069 14.708 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.539 3.118 12.215 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.824 2.077 12.872 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.223 3.693 12.241 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.765 5.056 13.374 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.399 5.750 13.496 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.416 5.525 14.963 1.00 25.00 H new ATOM 341 N LYS A 20 -7.491 3.140 17.433 1.00 25.00 N ATOM 342 CA LYS A 20 -7.937 3.498 18.779 1.00 25.00 C ATOM 343 C LYS A 20 -8.123 2.282 19.683 1.00 25.00 C ATOM 344 O LYS A 20 -7.769 2.340 20.856 1.00 25.00 O ATOM 345 CB LYS A 20 -9.247 4.303 18.690 1.00 25.00 C ATOM 346 CG LYS A 20 -9.535 5.184 19.913 1.00 25.00 C ATOM 347 CD LYS A 20 -10.387 4.472 20.966 1.00 25.00 C ATOM 348 CE LYS A 20 -10.641 5.383 22.162 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.360 4.652 23.262 1.00 25.00 N ATOM 0 H LYS A 20 -8.199 3.262 16.709 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.154 4.106 19.232 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.211 4.935 17.803 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.077 3.609 18.554 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.592 5.493 20.363 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.046 6.091 19.590 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.337 4.167 20.527 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -9.882 3.564 21.295 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.692 5.767 22.537 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.232 6.244 21.848 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.519 5.298 24.062 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.275 4.307 22.909 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -10.784 3.845 23.577 1.00 25.00 H new ATOM 363 N THR A 21 -8.679 1.193 19.169 1.00 25.00 N ATOM 364 CA THR A 21 -8.935 0.009 19.999 1.00 25.00 C ATOM 365 C THR A 21 -7.650 -0.681 20.434 1.00 25.00 C ATOM 366 O THR A 21 -7.622 -1.323 21.480 1.00 25.00 O ATOM 367 CB THR A 21 -9.809 -1.043 19.277 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.255 -1.327 17.993 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.236 -0.548 19.089 1.00 25.00 C ATOM 0 H THR A 21 -8.961 1.098 18.193 1.00 25.00 H new ATOM 0 HA THR A 21 -9.465 0.392 20.871 1.00 25.00 H new ATOM 0 HB THR A 21 -9.827 -1.940 19.896 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.810 -1.995 17.538 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.822 -1.312 18.578 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.680 -0.340 20.062 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.229 0.363 18.491 1.00 25.00 H new ATOM 377 N ARG A 22 -6.571 -0.527 19.676 1.00 25.00 N ATOM 378 CA ARG A 22 -5.295 -1.114 20.085 1.00 25.00 C ATOM 379 C ARG A 22 -4.718 -0.313 21.257 1.00 25.00 C ATOM 380 O ARG A 22 -3.929 -0.825 22.042 1.00 25.00 O ATOM 381 CB ARG A 22 -4.323 -1.182 18.892 1.00 25.00 C ATOM 382 CG ARG A 22 -3.019 -1.992 19.135 1.00 25.00 C ATOM 383 CD ARG A 22 -3.208 -3.521 19.238 1.00 25.00 C ATOM 384 NE ARG A 22 -3.874 -3.941 20.487 1.00 25.00 N ATOM 385 CZ ARG A 22 -3.298 -4.039 21.682 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.031 -3.799 21.885 1.00 25.00 N ATOM 387 NH2 ARG A 22 -4.028 -4.387 22.704 1.00 25.00 N ATOM 0 H ARG A 22 -6.549 -0.014 18.795 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.453 -2.139 20.422 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.848 -1.619 18.043 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.051 -0.165 18.610 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.322 -1.781 18.324 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.554 -1.636 20.055 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.795 -3.866 18.387 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.234 -4.006 19.172 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.865 -4.177 20.428 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.433 -3.522 21.106 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.639 -3.889 22.822 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -5.022 -4.579 22.579 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.605 -4.468 23.629 1.00 25.00 H new ATOM 401 N GLY A 23 -5.162 0.929 21.397 1.00 25.00 N ATOM 402 CA GLY A 23 -4.787 1.752 22.540 1.00 25.00 C ATOM 403 C GLY A 23 -3.398 2.344 22.444 1.00 25.00 C ATOM 404 O GLY A 23 -2.866 2.876 23.420 1.00 25.00 O ATOM 0 H GLY A 23 -5.783 1.390 20.732 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.509 2.562 22.644 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.852 1.149 23.446 1.00 25.00 H new ATOM 408 N VAL A 24 -2.791 2.249 21.273 1.00 25.00 N ATOM 409 CA VAL A 24 -1.427 2.727 21.087 1.00 25.00 C ATOM 410 C VAL A 24 -1.464 4.125 20.496 1.00 25.00 C ATOM 411 O VAL A 24 -1.991 4.347 19.410 1.00 25.00 O ATOM 412 CB VAL A 24 -0.613 1.767 20.182 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.835 2.248 20.051 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.626 0.353 20.774 1.00 25.00 C ATOM 0 H VAL A 24 -3.217 1.847 20.438 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.928 2.757 22.056 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.073 1.755 19.194 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.390 1.561 19.412 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.849 3.245 19.610 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.298 2.281 21.037 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.052 -0.315 20.132 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.182 0.371 21.769 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.654 -0.003 20.842 1.00 25.00 H new ATOM 424 N LYS A 25 -0.925 5.080 21.241 1.00 25.00 N ATOM 425 CA LYS A 25 -0.909 6.477 20.813 1.00 25.00 C ATOM 426 C LYS A 25 0.208 6.737 19.795 1.00 25.00 C ATOM 427 O LYS A 25 1.289 7.203 20.137 1.00 25.00 O ATOM 428 CB LYS A 25 -0.780 7.413 22.030 1.00 25.00 C ATOM 429 CG LYS A 25 0.260 6.982 23.084 1.00 25.00 C ATOM 430 CD LYS A 25 0.353 8.014 24.206 1.00 25.00 C ATOM 431 CE LYS A 25 1.477 7.682 25.192 1.00 25.00 C ATOM 432 NZ LYS A 25 1.223 6.401 25.945 1.00 25.00 N ATOM 0 H LYS A 25 -0.491 4.914 22.149 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.857 6.689 20.318 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.521 8.411 21.675 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.754 7.489 22.514 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.015 6.012 23.498 1.00 25.00 H new ATOM 0 HG3 LYS A 25 1.235 6.862 22.612 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.525 9.002 23.778 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.597 8.058 24.739 1.00 25.00 H new ATOM 0 HE2 LYS A 25 2.419 7.601 24.650 1.00 25.00 H new ATOM 0 HE3 LYS A 25 1.587 8.502 25.902 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 2.011 6.221 26.599 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.338 6.485 26.485 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 1.144 5.612 25.272 1.00 25.00 H new ATOM 446 N VAL A 26 -0.090 6.462 18.538 1.00 25.00 N ATOM 447 CA VAL A 26 0.826 6.733 17.429 1.00 25.00 C ATOM 448 C VAL A 26 0.070 7.495 16.354 1.00 25.00 C ATOM 449 O VAL A 26 -1.158 7.451 16.281 1.00 25.00 O ATOM 450 CB VAL A 26 1.431 5.431 16.815 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.518 4.864 17.733 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.341 4.379 16.560 1.00 25.00 C ATOM 0 H VAL A 26 -0.974 6.043 18.250 1.00 25.00 H new ATOM 0 HA VAL A 26 1.659 7.319 17.817 1.00 25.00 H new ATOM 0 HB VAL A 26 1.880 5.688 15.856 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.930 3.957 17.292 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.312 5.601 17.855 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.087 4.630 18.706 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.792 3.484 16.132 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.147 4.125 17.501 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.397 4.781 15.865 1.00 25.00 H new ATOM 462 N LYS A 27 0.811 8.231 15.545 1.00 25.00 N ATOM 463 CA LYS A 27 0.238 9.048 14.484 1.00 25.00 C ATOM 464 C LYS A 27 -0.183 8.145 13.326 1.00 25.00 C ATOM 465 O LYS A 27 0.526 7.223 12.960 1.00 25.00 O ATOM 466 CB LYS A 27 1.299 10.067 14.064 1.00 25.00 C ATOM 467 CG LYS A 27 0.938 11.011 12.931 1.00 25.00 C ATOM 468 CD LYS A 27 1.997 12.117 12.874 1.00 25.00 C ATOM 469 CE LYS A 27 2.145 12.724 11.488 1.00 25.00 C ATOM 470 NZ LYS A 27 3.570 12.567 11.027 1.00 25.00 N ATOM 0 H LYS A 27 1.828 8.281 15.603 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.652 9.581 14.818 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.556 10.668 14.937 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.198 9.521 13.777 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.900 10.472 11.984 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.051 11.440 13.094 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.733 12.902 13.583 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.957 11.710 13.191 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.468 12.233 10.789 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.871 13.779 11.509 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 3.696 13.055 10.117 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.211 12.981 11.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.788 11.557 10.911 1.00 25.00 H new ATOM 484 N PHE A 28 -1.340 8.435 12.752 1.00 25.00 N ATOM 485 CA PHE A 28 -1.900 7.650 11.646 1.00 25.00 C ATOM 486 C PHE A 28 -0.963 7.521 10.461 1.00 25.00 C ATOM 487 O PHE A 28 -0.726 6.422 9.980 1.00 25.00 O ATOM 488 CB PHE A 28 -3.183 8.347 11.176 1.00 25.00 C ATOM 489 CG PHE A 28 -4.356 7.435 11.027 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.327 6.365 10.115 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.518 7.660 11.783 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.451 5.520 9.962 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.642 6.833 11.635 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.613 5.762 10.722 1.00 25.00 C ATOM 0 H PHE A 28 -1.924 9.222 13.035 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.082 6.642 12.019 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.437 9.134 11.886 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.990 8.832 10.219 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.439 6.187 9.526 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.547 8.479 12.486 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.419 4.694 9.267 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.530 7.018 12.222 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.479 5.127 10.604 1.00 25.00 H new ATOM 504 N ALA A 29 -0.422 8.641 10.005 1.00 25.00 N ATOM 505 CA ALA A 29 0.480 8.637 8.859 1.00 25.00 C ATOM 506 C ALA A 29 1.708 7.790 9.166 1.00 25.00 C ATOM 507 O ALA A 29 2.261 7.141 8.295 1.00 25.00 O ATOM 508 CB ALA A 29 0.901 10.070 8.526 1.00 25.00 C ATOM 0 H ALA A 29 -0.590 9.563 10.408 1.00 25.00 H new ATOM 0 HA ALA A 29 -0.037 8.209 8.000 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.575 10.061 7.669 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.018 10.663 8.287 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.411 10.508 9.384 1.00 25.00 H new ATOM 514 N ASP A 30 2.133 7.820 10.416 1.00 25.00 N ATOM 515 CA ASP A 30 3.350 7.129 10.815 1.00 25.00 C ATOM 516 C ASP A 30 3.075 5.631 10.906 1.00 25.00 C ATOM 517 O ASP A 30 3.929 4.826 10.574 1.00 25.00 O ATOM 518 CB ASP A 30 3.867 7.666 12.157 1.00 25.00 C ATOM 519 CG ASP A 30 4.236 9.156 12.101 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.064 9.806 11.042 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.597 9.705 13.157 1.00 25.00 O ATOM 0 H ASP A 30 1.657 8.313 11.171 1.00 25.00 H new ATOM 0 HA ASP A 30 4.122 7.307 10.066 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.105 7.514 12.922 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.742 7.091 12.460 1.00 25.00 H new ATOM 526 N LEU A 31 1.868 5.251 11.310 1.00 25.00 N ATOM 527 CA LEU A 31 1.516 3.831 11.354 1.00 25.00 C ATOM 528 C LEU A 31 1.436 3.295 9.930 1.00 25.00 C ATOM 529 O LEU A 31 2.052 2.287 9.582 1.00 25.00 O ATOM 530 CB LEU A 31 0.195 3.589 12.091 1.00 25.00 C ATOM 531 CG LEU A 31 0.289 2.391 13.066 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.998 2.221 13.828 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.614 1.076 12.367 1.00 25.00 C ATOM 0 H LEU A 31 1.129 5.888 11.606 1.00 25.00 H new ATOM 0 HA LEU A 31 2.291 3.302 11.909 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.082 4.486 12.644 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.597 3.405 11.365 1.00 25.00 H new ATOM 0 HG LEU A 31 1.108 2.626 13.745 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.909 1.373 14.507 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.204 3.125 14.401 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.814 2.041 13.128 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.666 0.275 13.105 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.165 0.849 11.639 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.573 1.162 11.857 1.00 25.00 H new ATOM 545 N LEU A 32 0.725 4.030 9.091 1.00 25.00 N ATOM 546 CA LEU A 32 0.632 3.707 7.660 1.00 25.00 C ATOM 547 C LEU A 32 1.975 3.683 6.948 1.00 25.00 C ATOM 548 O LEU A 32 2.157 2.962 5.975 1.00 25.00 O ATOM 549 CB LEU A 32 -0.251 4.727 6.953 1.00 25.00 C ATOM 550 CG LEU A 32 -1.715 4.331 6.788 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.863 3.190 5.806 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.347 3.949 8.051 1.00 25.00 C ATOM 0 H LEU A 32 0.199 4.859 9.369 1.00 25.00 H new ATOM 0 HA LEU A 32 0.210 2.703 7.613 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.207 5.665 7.507 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.168 4.921 5.965 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.220 5.219 6.409 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.917 2.929 5.708 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.472 3.493 4.835 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.307 2.325 6.167 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.387 3.678 7.870 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.819 3.097 8.479 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.306 4.787 8.746 1.00 25.00 H new ATOM 564 N LYS A 33 2.932 4.441 7.445 1.00 25.00 N ATOM 565 CA LYS A 33 4.279 4.419 6.855 1.00 25.00 C ATOM 566 C LYS A 33 4.877 3.023 6.986 1.00 25.00 C ATOM 567 O LYS A 33 5.511 2.519 6.066 1.00 25.00 O ATOM 568 CB LYS A 33 5.207 5.448 7.511 1.00 25.00 C ATOM 569 CG LYS A 33 6.622 5.382 6.952 1.00 25.00 C ATOM 570 CD LYS A 33 7.500 6.516 7.441 1.00 25.00 C ATOM 571 CE LYS A 33 8.945 6.313 6.966 1.00 25.00 C ATOM 572 NZ LYS A 33 9.048 6.233 5.459 1.00 25.00 N ATOM 0 H LYS A 33 2.819 5.071 8.239 1.00 25.00 H new ATOM 0 HA LYS A 33 4.185 4.683 5.802 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.804 6.449 7.358 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.234 5.277 8.587 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.075 4.431 7.233 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.579 5.405 5.863 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.118 7.467 7.070 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.471 6.564 8.530 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.563 7.135 7.327 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.344 5.398 7.404 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.049 6.266 5.177 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.625 5.342 5.129 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.542 7.035 5.033 1.00 25.00 H new ATOM 586 N PHE A 34 4.653 2.375 8.113 1.00 25.00 N ATOM 587 CA PHE A 34 5.162 1.023 8.303 1.00 25.00 C ATOM 588 C PHE A 34 4.327 -0.001 7.547 1.00 25.00 C ATOM 589 O PHE A 34 4.849 -1.034 7.154 1.00 25.00 O ATOM 590 CB PHE A 34 5.321 0.698 9.781 1.00 25.00 C ATOM 591 CG PHE A 34 6.539 1.345 10.378 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.482 2.660 10.864 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.769 0.661 10.401 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.637 3.303 11.358 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.937 1.294 10.896 1.00 25.00 C ATOM 596 CZ PHE A 34 8.866 2.622 11.367 1.00 25.00 C ATOM 0 H PHE A 34 4.130 2.753 8.903 1.00 25.00 H new ATOM 0 HA PHE A 34 6.161 0.971 7.870 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.434 1.029 10.321 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.387 -0.383 9.908 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.540 3.188 10.860 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.823 -0.355 10.038 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.576 4.316 11.728 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.877 0.762 10.912 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.755 3.114 11.734 1.00 25.00 H new ATOM 606 N PHE A 35 3.069 0.319 7.256 1.00 25.00 N ATOM 607 CA PHE A 35 2.251 -0.531 6.370 1.00 25.00 C ATOM 608 C PHE A 35 2.868 -0.526 4.965 1.00 25.00 C ATOM 609 O PHE A 35 2.651 -1.438 4.184 1.00 25.00 O ATOM 610 CB PHE A 35 0.796 -0.031 6.258 1.00 25.00 C ATOM 611 CG PHE A 35 -0.084 -0.340 7.454 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.446 -0.737 8.700 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.485 -0.228 7.326 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.407 -1.024 9.779 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.340 -0.520 8.419 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.785 -0.924 9.645 1.00 25.00 C ATOM 0 H PHE A 35 2.591 1.147 7.611 1.00 25.00 H new ATOM 0 HA PHE A 35 2.236 -1.533 6.800 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.810 1.048 6.106 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.344 -0.472 5.370 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.515 -0.821 8.825 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.911 0.084 6.384 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.015 -1.327 10.726 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.411 -0.432 8.310 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.429 -1.156 10.481 1.00 25.00 H new ATOM 626 N ASP A 36 3.635 0.502 4.640 1.00 25.00 N ATOM 627 CA ASP A 36 4.318 0.558 3.349 1.00 25.00 C ATOM 628 C ASP A 36 5.647 -0.195 3.397 1.00 25.00 C ATOM 629 O ASP A 36 6.041 -0.849 2.440 1.00 25.00 O ATOM 630 CB ASP A 36 4.559 2.014 2.950 1.00 25.00 C ATOM 631 CG ASP A 36 4.412 2.228 1.466 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.439 1.689 0.898 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.231 2.939 0.864 1.00 25.00 O ATOM 0 H ASP A 36 3.802 1.306 5.245 1.00 25.00 H new ATOM 0 HA ASP A 36 3.681 0.079 2.606 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.855 2.656 3.480 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.560 2.314 3.261 1.00 25.00 H new ATOM 638 N PHE A 37 6.311 -0.131 4.541 1.00 25.00 N ATOM 639 CA PHE A 37 7.614 -0.777 4.729 1.00 25.00 C ATOM 640 C PHE A 37 7.553 -2.303 4.587 1.00 25.00 C ATOM 641 O PHE A 37 8.492 -2.928 4.086 1.00 25.00 O ATOM 642 CB PHE A 37 8.170 -0.400 6.105 1.00 25.00 C ATOM 643 CG PHE A 37 9.592 -0.842 6.325 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.646 -0.224 5.627 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.888 -1.875 7.233 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.989 -0.634 5.829 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.226 -2.293 7.444 1.00 25.00 C ATOM 648 CZ PHE A 37 12.276 -1.670 6.740 1.00 25.00 C ATOM 0 H PHE A 37 5.970 0.365 5.364 1.00 25.00 H new ATOM 0 HA PHE A 37 8.273 -0.418 3.939 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.112 0.682 6.226 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.538 -0.842 6.876 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.430 0.572 4.929 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.087 -2.355 7.775 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.789 -0.153 5.286 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.440 -3.088 8.143 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.297 -1.985 6.898 1.00 25.00 H new ATOM 658 N VAL A 38 6.445 -2.914 4.987 1.00 25.00 N ATOM 659 CA VAL A 38 6.296 -4.363 4.810 1.00 25.00 C ATOM 660 C VAL A 38 6.240 -4.688 3.315 1.00 25.00 C ATOM 661 O VAL A 38 6.850 -5.650 2.874 1.00 25.00 O ATOM 662 CB VAL A 38 5.046 -4.956 5.570 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.921 -3.956 5.679 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.521 -6.222 4.886 1.00 25.00 C ATOM 0 H VAL A 38 5.651 -2.448 5.426 1.00 25.00 H new ATOM 0 HA VAL A 38 7.167 -4.842 5.258 1.00 25.00 H new ATOM 0 HB VAL A 38 5.393 -5.204 6.573 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.083 -4.408 6.209 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.266 -3.079 6.226 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.601 -3.658 4.681 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.661 -6.603 5.436 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.223 -5.987 3.864 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.305 -6.979 4.870 1.00 25.00 H new ATOM 674 N LYS A 39 5.563 -3.860 2.529 1.00 25.00 N ATOM 675 CA LYS A 39 5.478 -4.068 1.078 1.00 25.00 C ATOM 676 C LYS A 39 6.863 -3.920 0.453 1.00 25.00 C ATOM 677 O LYS A 39 7.226 -4.682 -0.435 1.00 25.00 O ATOM 678 CB LYS A 39 4.461 -3.074 0.477 1.00 25.00 C ATOM 679 CG LYS A 39 4.544 -2.821 -1.059 1.00 25.00 C ATOM 680 CD LYS A 39 5.456 -1.621 -1.461 1.00 25.00 C ATOM 681 CE LYS A 39 4.942 -0.276 -0.928 1.00 25.00 C ATOM 682 NZ LYS A 39 5.869 0.874 -1.202 1.00 25.00 N ATOM 0 H LYS A 39 5.063 -3.037 2.866 1.00 25.00 H new ATOM 0 HA LYS A 39 5.128 -5.077 0.861 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.458 -3.434 0.708 1.00 25.00 H new ATOM 0 HB3 LYS A 39 4.581 -2.117 0.985 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.915 -3.723 -1.545 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.539 -2.643 -1.441 1.00 25.00 H new ATOM 0 HD2 LYS A 39 6.464 -1.795 -1.084 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.526 -1.573 -2.548 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.971 -0.064 -1.376 1.00 25.00 H new ATOM 0 HE3 LYS A 39 4.785 -0.357 0.148 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 5.559 1.706 -0.661 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.835 0.616 -0.917 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 5.855 1.096 -2.218 1.00 25.00 H new ATOM 696 N ASP A 40 7.640 -2.963 0.942 1.00 25.00 N ATOM 697 CA ASP A 40 8.984 -2.714 0.407 1.00 25.00 C ATOM 698 C ASP A 40 9.914 -3.903 0.637 1.00 25.00 C ATOM 699 O ASP A 40 10.747 -4.225 -0.206 1.00 25.00 O ATOM 700 CB ASP A 40 9.612 -1.480 1.071 1.00 25.00 C ATOM 701 CG ASP A 40 8.901 -0.189 0.710 1.00 25.00 C ATOM 702 OD1 ASP A 40 8.450 -0.046 -0.450 1.00 25.00 O ATOM 703 OD2 ASP A 40 8.816 0.700 1.583 1.00 25.00 O ATOM 0 H ASP A 40 7.369 -2.344 1.706 1.00 25.00 H new ATOM 0 HA ASP A 40 8.868 -2.550 -0.664 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.595 -1.608 2.153 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.659 -1.408 0.775 1.00 25.00 H new ATOM 708 N THR A 41 9.790 -4.537 1.794 1.00 25.00 N ATOM 709 CA THR A 41 10.674 -5.650 2.154 1.00 25.00 C ATOM 710 C THR A 41 10.138 -6.991 1.637 1.00 25.00 C ATOM 711 O THR A 41 10.894 -7.918 1.361 1.00 25.00 O ATOM 712 CB THR A 41 10.843 -5.725 3.693 1.00 25.00 C ATOM 713 OG1 THR A 41 11.042 -4.404 4.211 1.00 25.00 O ATOM 714 CG2 THR A 41 12.057 -6.561 4.082 1.00 25.00 C ATOM 0 H THR A 41 9.091 -4.306 2.500 1.00 25.00 H new ATOM 0 HA THR A 41 11.640 -5.463 1.684 1.00 25.00 H new ATOM 0 HB THR A 41 9.943 -6.184 4.103 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.189 -3.922 4.216 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.145 -6.592 5.168 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.939 -7.574 3.699 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.957 -6.115 3.658 1.00 25.00 H new ATOM 722 N CYS A 42 8.824 -7.091 1.516 1.00 25.00 N ATOM 723 CA CYS A 42 8.165 -8.317 1.070 1.00 25.00 C ATOM 724 C CYS A 42 7.292 -8.061 -0.156 1.00 25.00 C ATOM 725 O CYS A 42 6.074 -7.959 -0.029 1.00 25.00 O ATOM 726 CB CYS A 42 7.283 -8.865 2.192 1.00 25.00 C ATOM 727 SG CYS A 42 8.199 -9.316 3.660 1.00 25.00 S ATOM 0 H CYS A 42 8.181 -6.327 1.723 1.00 25.00 H new ATOM 0 HA CYS A 42 8.940 -9.037 0.808 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.536 -8.116 2.455 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.744 -9.739 1.826 1.00 25.00 H new ATOM 0 HG CYS A 42 9.408 -9.661 3.328 1.00 25.00 H new ATOM 733 N PRO A 43 7.886 -8.009 -1.360 1.00 25.00 N ATOM 734 CA PRO A 43 7.059 -7.748 -2.548 1.00 25.00 C ATOM 735 C PRO A 43 6.153 -8.926 -2.904 1.00 25.00 C ATOM 736 O PRO A 43 5.173 -8.787 -3.627 1.00 25.00 O ATOM 737 CB PRO A 43 8.104 -7.495 -3.637 1.00 25.00 C ATOM 738 CG PRO A 43 9.272 -8.323 -3.218 1.00 25.00 C ATOM 739 CD PRO A 43 9.307 -8.191 -1.715 1.00 25.00 C ATOM 0 HA PRO A 43 6.368 -6.918 -2.403 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.736 -7.792 -4.619 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.366 -6.439 -3.701 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.152 -9.363 -3.523 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.196 -7.963 -3.670 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.730 -9.078 -1.243 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.913 -7.342 -1.399 1.00 25.00 H new ATOM 747 N TRP A 44 6.469 -10.088 -2.355 1.00 25.00 N ATOM 748 CA TRP A 44 5.662 -11.283 -2.552 1.00 25.00 C ATOM 749 C TRP A 44 4.439 -11.312 -1.638 1.00 25.00 C ATOM 750 O TRP A 44 3.517 -12.070 -1.878 1.00 25.00 O ATOM 751 CB TRP A 44 6.522 -12.517 -2.293 1.00 25.00 C ATOM 752 CG TRP A 44 7.547 -12.280 -1.226 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.324 -12.042 0.086 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.978 -12.231 -1.385 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.488 -11.860 0.773 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.534 -11.962 -0.100 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.847 -12.373 -2.485 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.919 -11.835 0.111 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.246 -12.250 -2.277 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.764 -11.981 -0.976 1.00 25.00 C ATOM 0 H TRP A 44 7.288 -10.230 -1.763 1.00 25.00 H new ATOM 0 HA TRP A 44 5.301 -11.276 -3.580 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.881 -13.349 -2.000 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.022 -12.809 -3.216 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.343 -12.001 0.536 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.565 -11.678 1.774 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.455 -12.572 -3.471 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.313 -11.629 1.095 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.923 -12.361 -3.111 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.831 -11.890 -0.837 1.00 25.00 H new ATOM 771 N PHE A 45 4.424 -10.502 -0.590 1.00 25.00 N ATOM 772 CA PHE A 45 3.293 -10.510 0.340 1.00 25.00 C ATOM 773 C PHE A 45 2.013 -9.915 -0.273 1.00 25.00 C ATOM 774 O PHE A 45 0.968 -10.571 -0.241 1.00 25.00 O ATOM 775 CB PHE A 45 3.662 -9.793 1.642 1.00 25.00 C ATOM 776 CG PHE A 45 2.531 -9.708 2.633 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.676 -10.804 2.874 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.314 -8.515 3.337 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.612 -10.693 3.802 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.269 -8.408 4.280 1.00 25.00 C ATOM 781 CZ PHE A 45 0.419 -9.498 4.512 1.00 25.00 C ATOM 0 H PHE A 45 5.165 -9.840 -0.360 1.00 25.00 H new ATOM 0 HA PHE A 45 3.073 -11.554 0.562 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.501 -10.312 2.106 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.002 -8.785 1.406 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.834 -11.734 2.347 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.956 -7.666 3.155 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.052 -11.529 3.964 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.124 -7.486 4.823 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.381 -9.419 5.234 1.00 25.00 H new ATOM 791 N PRO A 46 2.071 -8.708 -0.889 1.00 25.00 N ATOM 792 CA PRO A 46 0.796 -8.312 -1.497 1.00 25.00 C ATOM 793 C PRO A 46 0.426 -9.174 -2.706 1.00 25.00 C ATOM 794 O PRO A 46 -0.740 -9.278 -3.056 1.00 25.00 O ATOM 795 CB PRO A 46 1.047 -6.856 -1.901 1.00 25.00 C ATOM 796 CG PRO A 46 2.491 -6.796 -2.170 1.00 25.00 C ATOM 797 CD PRO A 46 3.100 -7.669 -1.109 1.00 25.00 C ATOM 0 HA PRO A 46 -0.046 -8.437 -0.816 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.467 -6.582 -2.782 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.762 -6.168 -1.105 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.725 -7.162 -3.170 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.866 -5.774 -2.108 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.045 -8.102 -1.438 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.307 -7.109 -0.197 1.00 25.00 H new ATOM 805 N GLN A 47 1.417 -9.837 -3.291 1.00 25.00 N ATOM 806 CA GLN A 47 1.201 -10.740 -4.419 1.00 25.00 C ATOM 807 C GLN A 47 0.356 -11.955 -4.019 1.00 25.00 C ATOM 808 O GLN A 47 -0.397 -12.483 -4.825 1.00 25.00 O ATOM 809 CB GLN A 47 2.553 -11.228 -4.944 1.00 25.00 C ATOM 810 CG GLN A 47 2.618 -11.384 -6.456 1.00 25.00 C ATOM 811 CD GLN A 47 3.048 -10.106 -7.149 1.00 25.00 C ATOM 812 OE1 GLN A 47 2.257 -9.429 -7.782 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.311 -9.782 -7.044 1.00 25.00 N ATOM 0 H GLN A 47 2.392 -9.765 -2.999 1.00 25.00 H new ATOM 0 HA GLN A 47 0.664 -10.188 -5.191 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.326 -10.527 -4.629 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.785 -12.187 -4.481 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.316 -12.183 -6.707 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.640 -11.686 -6.830 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.946 -10.372 -6.506 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.661 -8.939 -7.500 1.00 25.00 H new ATOM 822 N GLU A 48 0.481 -12.394 -2.771 1.00 25.00 N ATOM 823 CA GLU A 48 -0.308 -13.529 -2.279 1.00 25.00 C ATOM 824 C GLU A 48 -1.768 -13.123 -2.075 1.00 25.00 C ATOM 825 O GLU A 48 -2.652 -13.975 -2.037 1.00 25.00 O ATOM 826 CB GLU A 48 0.259 -14.063 -0.953 1.00 25.00 C ATOM 827 CG GLU A 48 1.555 -14.857 -1.114 1.00 25.00 C ATOM 828 CD GLU A 48 2.019 -15.497 0.190 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.565 -14.792 1.070 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.851 -16.726 0.341 1.00 25.00 O ATOM 0 H GLU A 48 1.115 -11.988 -2.083 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.253 -14.316 -3.031 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.439 -13.224 -0.281 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.489 -14.698 -0.478 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.409 -15.635 -1.864 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.337 -14.196 -1.488 1.00 25.00 H new ATOM 837 N GLY A 49 -2.010 -11.824 -1.921 1.00 25.00 N ATOM 838 CA GLY A 49 -3.364 -11.310 -1.752 1.00 25.00 C ATOM 839 C GLY A 49 -4.105 -11.901 -0.567 1.00 25.00 C ATOM 840 O GLY A 49 -5.327 -11.972 -0.577 1.00 25.00 O ATOM 0 H GLY A 49 -1.284 -11.108 -1.910 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.319 -10.227 -1.636 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.933 -11.510 -2.660 1.00 25.00 H new ATOM 844 N THR A 50 -3.365 -12.374 0.427 1.00 25.00 N ATOM 845 CA THR A 50 -3.950 -13.070 1.573 1.00 25.00 C ATOM 846 C THR A 50 -3.458 -12.452 2.870 1.00 25.00 C ATOM 847 O THR A 50 -2.248 -12.374 3.103 1.00 25.00 O ATOM 848 CB THR A 50 -3.543 -14.563 1.564 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.906 -15.157 0.314 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.242 -15.342 2.674 1.00 25.00 C ATOM 0 H THR A 50 -2.349 -12.289 0.465 1.00 25.00 H new ATOM 0 HA THR A 50 -5.034 -12.980 1.502 1.00 25.00 H new ATOM 0 HB THR A 50 -2.465 -14.606 1.719 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.392 -14.739 -0.408 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.932 -16.386 2.637 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.973 -14.918 3.641 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.322 -15.279 2.538 1.00 25.00 H new ATOM 858 N ILE A 51 -4.380 -12.035 3.728 1.00 25.00 N ATOM 859 CA ILE A 51 -4.013 -11.449 5.012 1.00 25.00 C ATOM 860 C ILE A 51 -4.392 -12.393 6.128 1.00 25.00 C ATOM 861 O ILE A 51 -5.553 -12.620 6.446 1.00 25.00 O ATOM 862 CB ILE A 51 -4.691 -10.094 5.269 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.417 -9.112 4.129 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.214 -9.482 6.633 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.997 -8.637 3.946 1.00 25.00 C ATOM 0 H ILE A 51 -5.384 -12.091 3.560 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.936 -11.283 4.983 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.766 -10.269 5.319 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.738 -9.579 3.198 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.048 -8.236 4.280 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.707 -8.523 6.794 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.469 -10.162 7.446 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.134 -9.335 6.608 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.950 -7.947 3.103 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.664 -8.128 4.851 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.350 -9.492 3.751 1.00 25.00 H new ATOM 877 N ASP A 52 -3.364 -12.913 6.755 1.00 25.00 N ATOM 878 CA ASP A 52 -3.515 -13.769 7.922 1.00 25.00 C ATOM 879 C ASP A 52 -2.223 -13.695 8.686 1.00 25.00 C ATOM 880 O ASP A 52 -1.192 -13.304 8.138 1.00 25.00 O ATOM 881 CB ASP A 52 -3.786 -15.224 7.551 1.00 25.00 C ATOM 882 CG ASP A 52 -4.048 -16.086 8.775 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.699 -15.604 9.733 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.436 -17.166 8.868 1.00 25.00 O ATOM 0 H ASP A 52 -2.395 -12.758 6.475 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.369 -13.425 8.505 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.646 -15.273 6.883 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.933 -15.623 7.003 1.00 25.00 H new ATOM 889 N ILE A 53 -2.256 -14.100 9.941 1.00 25.00 N ATOM 890 CA ILE A 53 -1.078 -14.048 10.770 1.00 25.00 C ATOM 891 C ILE A 53 -0.017 -15.003 10.246 1.00 25.00 C ATOM 892 O ILE A 53 1.160 -14.728 10.368 1.00 25.00 O ATOM 893 CB ILE A 53 -1.436 -14.336 12.251 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.280 -13.927 13.171 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.764 -15.826 12.492 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.010 -12.457 13.221 1.00 25.00 C ATOM 0 H ILE A 53 -3.087 -14.468 10.404 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.663 -13.041 10.728 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.324 -13.747 12.480 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.502 -14.271 14.181 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.621 -14.448 12.848 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.009 -15.979 13.543 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.615 -16.116 11.875 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.900 -16.436 12.228 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.843 -12.273 13.899 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.269 -12.103 12.223 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.872 -11.924 13.577 1.00 25.00 H new ATOM 908 N LYS A 54 -0.425 -16.092 9.598 1.00 25.00 N ATOM 909 CA LYS A 54 0.540 -17.049 9.045 1.00 25.00 C ATOM 910 C LYS A 54 1.356 -16.392 7.935 1.00 25.00 C ATOM 911 O LYS A 54 2.537 -16.660 7.788 1.00 25.00 O ATOM 912 CB LYS A 54 -0.180 -18.283 8.492 1.00 25.00 C ATOM 913 CG LYS A 54 -0.955 -19.070 9.549 1.00 25.00 C ATOM 914 CD LYS A 54 -1.749 -20.211 8.908 1.00 25.00 C ATOM 915 CE LYS A 54 -2.859 -20.708 9.838 1.00 25.00 C ATOM 916 NZ LYS A 54 -4.048 -19.773 9.820 1.00 25.00 N ATOM 0 H LYS A 54 -1.403 -16.335 9.442 1.00 25.00 H new ATOM 0 HA LYS A 54 1.209 -17.362 9.847 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.869 -17.969 7.708 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.553 -18.942 8.027 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.263 -19.474 10.288 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.634 -18.403 10.080 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.184 -19.871 7.968 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.077 -21.035 8.668 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.173 -21.706 9.532 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.475 -20.792 10.855 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.424 -19.672 10.784 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.752 -18.842 9.464 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.786 -20.162 9.199 1.00 25.00 H new ATOM 930 N ARG A 55 0.727 -15.500 7.183 1.00 25.00 N ATOM 931 CA ARG A 55 1.429 -14.763 6.131 1.00 25.00 C ATOM 932 C ARG A 55 2.268 -13.664 6.760 1.00 25.00 C ATOM 933 O ARG A 55 3.388 -13.413 6.347 1.00 25.00 O ATOM 934 CB ARG A 55 0.427 -14.153 5.147 1.00 25.00 C ATOM 935 CG ARG A 55 0.440 -14.820 3.777 1.00 25.00 C ATOM 936 CD ARG A 55 -0.209 -16.200 3.811 1.00 25.00 C ATOM 937 NE ARG A 55 0.309 -17.047 2.726 1.00 25.00 N ATOM 938 CZ ARG A 55 0.134 -18.356 2.615 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.552 -19.054 3.488 1.00 25.00 N ATOM 940 NH2 ARG A 55 0.666 -18.969 1.602 1.00 25.00 N ATOM 0 H ARG A 55 -0.262 -15.267 7.277 1.00 25.00 H new ATOM 0 HA ARG A 55 2.076 -15.451 5.586 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.575 -14.226 5.569 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.646 -13.092 5.028 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.086 -14.189 3.061 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.468 -14.911 3.427 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.015 -16.674 4.773 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.290 -16.101 3.717 1.00 25.00 H new ATOM 0 HE ARG A 55 0.851 -16.586 1.995 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -0.976 -18.590 4.292 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.662 -20.060 3.363 1.00 25.00 H new ATOM 0 HH21 ARG A 55 1.205 -18.444 0.913 1.00 25.00 H new ATOM 0 HH22 ARG A 55 0.545 -19.976 1.495 1.00 25.00 H new ATOM 954 N TRP A 56 1.731 -13.046 7.799 1.00 25.00 N ATOM 955 CA TRP A 56 2.431 -11.984 8.520 1.00 25.00 C ATOM 956 C TRP A 56 3.721 -12.479 9.186 1.00 25.00 C ATOM 957 O TRP A 56 4.656 -11.704 9.365 1.00 25.00 O ATOM 958 CB TRP A 56 1.494 -11.385 9.565 1.00 25.00 C ATOM 959 CG TRP A 56 1.963 -10.065 10.109 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.376 -9.796 11.372 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.060 -8.810 9.402 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.731 -8.488 11.520 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.567 -7.848 10.324 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.777 -8.400 8.082 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.818 -6.509 9.958 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.011 -7.047 7.716 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.535 -6.119 8.663 1.00 25.00 C ATOM 0 H TRP A 56 0.805 -13.261 8.168 1.00 25.00 H new ATOM 0 HA TRP A 56 2.723 -11.224 7.795 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.506 -11.256 9.123 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.385 -12.090 10.389 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.419 -10.529 12.164 1.00 25.00 H new ATOM 0 HE1 TRP A 56 3.064 -8.058 12.383 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.388 -9.104 7.361 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.221 -5.806 10.672 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.790 -6.719 6.711 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.713 -5.097 8.364 1.00 25.00 H new ATOM 978 N ARG A 57 3.797 -13.772 9.502 1.00 25.00 N ATOM 979 CA ARG A 57 5.037 -14.349 10.072 1.00 25.00 C ATOM 980 C ARG A 57 6.207 -14.066 9.133 1.00 25.00 C ATOM 981 O ARG A 57 7.245 -13.580 9.560 1.00 25.00 O ATOM 982 CB ARG A 57 4.966 -15.880 10.271 1.00 25.00 C ATOM 983 CG ARG A 57 3.753 -16.452 11.016 1.00 25.00 C ATOM 984 CD ARG A 57 3.488 -15.825 12.378 1.00 25.00 C ATOM 985 NE ARG A 57 2.486 -16.591 13.150 1.00 25.00 N ATOM 986 CZ ARG A 57 1.950 -16.212 14.310 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.303 -15.108 14.918 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.023 -16.946 14.860 1.00 25.00 N ATOM 0 H ARG A 57 3.034 -14.438 9.380 1.00 25.00 H new ATOM 0 HA ARG A 57 5.168 -13.883 11.049 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.005 -16.347 9.287 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.864 -16.190 10.806 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.868 -16.323 10.393 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.897 -17.524 11.147 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.419 -15.774 12.942 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.139 -14.801 12.245 1.00 25.00 H new ATOM 0 HE ARG A 57 2.180 -17.483 12.763 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.012 -14.503 14.505 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.869 -14.853 15.805 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.713 -17.803 14.403 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.608 -16.663 15.748 1.00 25.00 H new ATOM 1002 N ARG A 58 5.986 -14.322 7.844 1.00 25.00 N ATOM 1003 CA ARG A 58 7.016 -14.142 6.805 1.00 25.00 C ATOM 1004 C ARG A 58 7.613 -12.753 6.806 1.00 25.00 C ATOM 1005 O ARG A 58 8.768 -12.571 6.475 1.00 25.00 O ATOM 1006 CB ARG A 58 6.438 -14.366 5.406 1.00 25.00 C ATOM 1007 CG ARG A 58 5.877 -15.754 5.149 1.00 25.00 C ATOM 1008 CD ARG A 58 5.435 -15.872 3.689 1.00 25.00 C ATOM 1009 NE ARG A 58 6.587 -15.807 2.769 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.522 -15.574 1.461 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.395 -15.359 0.829 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.629 -15.547 0.772 1.00 25.00 N ATOM 0 H ARG A 58 5.093 -14.659 7.485 1.00 25.00 H new ATOM 0 HA ARG A 58 7.786 -14.877 7.041 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.647 -13.635 5.237 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.219 -14.166 4.672 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.632 -16.508 5.372 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.032 -15.943 5.811 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.904 -16.813 3.543 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.734 -15.071 3.454 1.00 25.00 H new ATOM 0 HE ARG A 58 7.513 -15.953 3.171 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.513 -15.366 1.342 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.399 -15.185 -0.176 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.523 -15.703 1.237 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.601 -15.370 -0.232 1.00 25.00 H new ATOM 1026 N VAL A 59 6.800 -11.767 7.135 1.00 25.00 N ATOM 1027 CA VAL A 59 7.231 -10.377 7.107 1.00 25.00 C ATOM 1028 C VAL A 59 8.261 -10.130 8.196 1.00 25.00 C ATOM 1029 O VAL A 59 9.250 -9.431 7.991 1.00 25.00 O ATOM 1030 CB VAL A 59 6.022 -9.438 7.322 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.445 -7.991 7.261 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.949 -9.726 6.277 1.00 25.00 C ATOM 0 H VAL A 59 5.832 -11.901 7.427 1.00 25.00 H new ATOM 0 HA VAL A 59 7.676 -10.171 6.134 1.00 25.00 H new ATOM 0 HB VAL A 59 5.610 -9.625 8.314 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.576 -7.351 7.415 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.183 -7.795 8.039 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.882 -7.780 6.285 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.100 -9.061 6.434 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.359 -9.562 5.280 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.621 -10.761 6.369 1.00 25.00 H new ATOM 1042 N GLY A 60 8.031 -10.726 9.352 1.00 25.00 N ATOM 1043 CA GLY A 60 8.938 -10.549 10.465 1.00 25.00 C ATOM 1044 C GLY A 60 10.226 -11.294 10.213 1.00 25.00 C ATOM 1045 O GLY A 60 11.307 -10.797 10.519 1.00 25.00 O ATOM 0 H GLY A 60 7.231 -11.330 9.541 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.145 -9.489 10.609 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.474 -10.911 11.383 1.00 25.00 H new ATOM 1049 N ASP A 61 10.108 -12.461 9.597 1.00 25.00 N ATOM 1050 CA ASP A 61 11.274 -13.269 9.236 1.00 25.00 C ATOM 1051 C ASP A 61 12.136 -12.461 8.263 1.00 25.00 C ATOM 1052 O ASP A 61 13.357 -12.397 8.383 1.00 25.00 O ATOM 1053 CB ASP A 61 10.836 -14.581 8.560 1.00 25.00 C ATOM 1054 CG ASP A 61 9.900 -15.419 9.432 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.073 -15.447 10.669 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.962 -16.031 8.864 1.00 25.00 O ATOM 0 H ASP A 61 9.214 -12.875 9.334 1.00 25.00 H new ATOM 0 HA ASP A 61 11.837 -13.516 10.136 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.337 -14.349 7.619 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.720 -15.170 8.315 1.00 25.00 H new ATOM 1061 N CYS A 62 11.468 -11.801 7.324 1.00 25.00 N ATOM 1062 CA CYS A 62 12.132 -10.973 6.323 1.00 25.00 C ATOM 1063 C CYS A 62 12.863 -9.794 6.951 1.00 25.00 C ATOM 1064 O CYS A 62 14.007 -9.514 6.602 1.00 25.00 O ATOM 1065 CB CYS A 62 11.100 -10.435 5.331 1.00 25.00 C ATOM 1066 SG CYS A 62 11.655 -10.452 3.616 1.00 25.00 S ATOM 0 H CYS A 62 10.452 -11.824 7.235 1.00 25.00 H new ATOM 0 HA CYS A 62 12.864 -11.602 5.816 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.189 -11.027 5.413 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.842 -9.413 5.609 1.00 25.00 H new ATOM 0 HG CYS A 62 10.751 -11.019 2.873 1.00 25.00 H new ATOM 1072 N PHE A 63 12.217 -9.105 7.886 1.00 25.00 N ATOM 1073 CA PHE A 63 12.864 -7.968 8.537 1.00 25.00 C ATOM 1074 C PHE A 63 14.089 -8.447 9.281 1.00 25.00 C ATOM 1075 O PHE A 63 15.097 -7.766 9.290 1.00 25.00 O ATOM 1076 CB PHE A 63 11.965 -7.278 9.569 1.00 25.00 C ATOM 1077 CG PHE A 63 10.745 -6.586 8.997 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.769 -5.970 7.727 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.567 -6.507 9.765 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.624 -5.293 7.229 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.426 -5.821 9.279 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.457 -5.217 8.007 1.00 25.00 C ATOM 0 H PHE A 63 11.269 -9.306 8.205 1.00 25.00 H new ATOM 0 HA PHE A 63 13.104 -7.259 7.745 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.635 -8.021 10.295 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.559 -6.543 10.112 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.667 -6.014 7.128 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.533 -6.976 10.737 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.651 -4.836 6.251 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.533 -5.761 9.884 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.588 -4.698 7.632 1.00 25.00 H new ATOM 1092 N GLN A 64 13.991 -9.594 9.938 1.00 25.00 N ATOM 1093 CA GLN A 64 15.093 -10.079 10.757 1.00 25.00 C ATOM 1094 C GLN A 64 16.293 -10.440 9.903 1.00 25.00 C ATOM 1095 O GLN A 64 17.412 -10.094 10.241 1.00 25.00 O ATOM 1096 CB GLN A 64 14.663 -11.287 11.593 1.00 25.00 C ATOM 1097 CG GLN A 64 15.688 -11.675 12.660 1.00 25.00 C ATOM 1098 CD GLN A 64 15.915 -10.565 13.671 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.008 -10.177 14.392 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.114 -10.046 13.720 1.00 25.00 N ATOM 0 H GLN A 64 13.171 -10.200 9.921 1.00 25.00 H new ATOM 0 HA GLN A 64 15.380 -9.272 11.431 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.711 -11.067 12.076 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.496 -12.138 10.932 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.348 -12.572 13.178 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.634 -11.924 12.179 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.847 -10.396 13.102 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.317 -9.292 14.376 1.00 25.00 H new ATOM 1109 N ASP A 65 16.068 -11.119 8.794 1.00 25.00 N ATOM 1110 CA ASP A 65 17.173 -11.527 7.929 1.00 25.00 C ATOM 1111 C ASP A 65 17.847 -10.319 7.301 1.00 25.00 C ATOM 1112 O ASP A 65 19.075 -10.200 7.272 1.00 25.00 O ATOM 1113 CB ASP A 65 16.651 -12.435 6.831 1.00 25.00 C ATOM 1114 CG ASP A 65 17.760 -13.201 6.139 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.706 -13.633 6.834 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.679 -13.388 4.908 1.00 25.00 O ATOM 0 H ASP A 65 15.143 -11.400 8.468 1.00 25.00 H new ATOM 0 HA ASP A 65 17.905 -12.058 8.537 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.936 -13.140 7.255 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.112 -11.838 6.096 1.00 25.00 H new ATOM 1121 N TYR A 66 17.031 -9.382 6.844 1.00 25.00 N ATOM 1122 CA TYR A 66 17.545 -8.161 6.247 1.00 25.00 C ATOM 1123 C TYR A 66 18.304 -7.359 7.309 1.00 25.00 C ATOM 1124 O TYR A 66 19.344 -6.762 7.029 1.00 25.00 O ATOM 1125 CB TYR A 66 16.390 -7.346 5.664 1.00 25.00 C ATOM 1126 CG TYR A 66 16.794 -6.485 4.489 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.620 -5.359 4.659 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.360 -6.807 3.186 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.016 -4.576 3.548 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.747 -6.017 2.073 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.575 -4.910 2.267 1.00 25.00 C ATOM 1132 OH TYR A 66 17.957 -4.155 1.186 1.00 25.00 O ATOM 0 H TYR A 66 16.013 -9.444 6.875 1.00 25.00 H new ATOM 0 HA TYR A 66 18.233 -8.403 5.437 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.597 -8.026 5.351 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.974 -6.710 6.445 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.956 -5.089 5.649 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.724 -7.667 3.034 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.659 -3.720 3.692 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.403 -6.271 1.081 1.00 25.00 H new ATOM 0 HH TYR A 66 17.561 -4.528 0.371 1.00 25.00 H new ATOM 1142 N PHE A 67 17.809 -7.386 8.539 1.00 25.00 N ATOM 1143 CA PHE A 67 18.475 -6.685 9.643 1.00 25.00 C ATOM 1144 C PHE A 67 19.805 -7.354 9.986 1.00 25.00 C ATOM 1145 O PHE A 67 20.785 -6.677 10.268 1.00 25.00 O ATOM 1146 CB PHE A 67 17.576 -6.672 10.881 1.00 25.00 C ATOM 1147 CG PHE A 67 18.147 -5.906 12.043 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.991 -6.542 12.974 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.826 -4.551 12.227 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.522 -5.825 14.076 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.338 -3.830 13.327 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.192 -4.465 14.250 1.00 25.00 C ATOM 0 H PHE A 67 16.956 -7.880 8.802 1.00 25.00 H new ATOM 0 HA PHE A 67 18.668 -5.660 9.325 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.612 -6.240 10.613 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.389 -7.700 11.193 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.236 -7.586 12.847 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.180 -4.055 11.518 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.177 -6.318 14.779 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.075 -2.791 13.461 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.592 -3.913 15.087 1.00 25.00 H new ATOM 1162 N ASN A 68 19.849 -8.678 9.947 1.00 25.00 N ATOM 1163 CA ASN A 68 21.075 -9.407 10.273 1.00 25.00 C ATOM 1164 C ASN A 68 22.157 -9.091 9.249 1.00 25.00 C ATOM 1165 O ASN A 68 23.337 -9.033 9.573 1.00 25.00 O ATOM 1166 CB ASN A 68 20.839 -10.927 10.255 1.00 25.00 C ATOM 1167 CG ASN A 68 19.898 -11.395 11.337 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.732 -10.759 12.371 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.287 -12.527 11.110 1.00 25.00 N ATOM 0 H ASN A 68 19.057 -9.270 9.695 1.00 25.00 H new ATOM 0 HA ASN A 68 21.384 -9.096 11.271 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.437 -11.214 9.283 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.795 -11.438 10.368 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.647 -12.909 11.806 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.450 -13.029 10.237 1.00 25.00 H new ATOM 1176 N THR A 69 21.741 -8.928 8.004 1.00 25.00 N ATOM 1177 CA THR A 69 22.675 -8.718 6.902 1.00 25.00 C ATOM 1178 C THR A 69 23.135 -7.263 6.761 1.00 25.00 C ATOM 1179 O THR A 69 24.304 -7.003 6.483 1.00 25.00 O ATOM 1180 CB THR A 69 22.017 -9.168 5.572 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.496 -10.490 5.727 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.021 -9.198 4.429 1.00 25.00 C ATOM 0 H THR A 69 20.759 -8.937 7.727 1.00 25.00 H new ATOM 0 HA THR A 69 23.559 -9.314 7.127 1.00 25.00 H new ATOM 0 HB THR A 69 21.230 -8.452 5.337 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.668 -10.456 6.249 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.522 -9.518 3.514 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.438 -8.201 4.285 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.823 -9.896 4.668 1.00 25.00 H new ATOM 1190 N PHE A 70 22.216 -6.314 6.908 1.00 25.00 N ATOM 1191 CA PHE A 70 22.527 -4.904 6.638 1.00 25.00 C ATOM 1192 C PHE A 70 22.463 -3.971 7.855 1.00 25.00 C ATOM 1193 O PHE A 70 22.736 -2.774 7.742 1.00 25.00 O ATOM 1194 CB PHE A 70 21.590 -4.385 5.552 1.00 25.00 C ATOM 1195 CG PHE A 70 21.707 -5.125 4.246 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.706 -4.775 3.320 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.820 -6.170 3.928 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.819 -5.457 2.082 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.917 -6.855 2.694 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.920 -6.500 1.770 1.00 25.00 C ATOM 0 H PHE A 70 21.257 -6.487 7.209 1.00 25.00 H new ATOM 0 HA PHE A 70 23.569 -4.890 6.320 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.562 -4.455 5.908 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.797 -3.329 5.381 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.395 -3.977 3.555 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.055 -6.453 4.636 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.591 -5.179 1.379 1.00 25.00 H new ATOM 0 HE2 PHE A 70 20.223 -7.649 2.460 1.00 25.00 H new ATOM 0 HZ PHE A 70 22.001 -7.023 0.828 1.00 25.00 H new ATOM 1210 N GLY A 71 22.142 -4.510 9.019 1.00 25.00 N ATOM 1211 CA GLY A 71 22.169 -3.724 10.244 1.00 25.00 C ATOM 1212 C GLY A 71 21.013 -2.758 10.463 1.00 25.00 C ATOM 1213 O GLY A 71 20.075 -2.671 9.651 1.00 25.00 O ATOM 0 H GLY A 71 21.861 -5.483 9.143 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.202 -4.412 11.089 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.097 -3.153 10.261 1.00 25.00 H new ATOM 1217 N PRO A 72 21.059 -1.986 11.569 1.00 25.00 N ATOM 1218 CA PRO A 72 19.980 -1.051 11.914 1.00 25.00 C ATOM 1219 C PRO A 72 19.881 0.163 10.999 1.00 25.00 C ATOM 1220 O PRO A 72 18.862 0.848 10.968 1.00 25.00 O ATOM 1221 CB PRO A 72 20.340 -0.629 13.341 1.00 25.00 C ATOM 1222 CG PRO A 72 21.811 -0.721 13.384 1.00 25.00 C ATOM 1223 CD PRO A 72 22.126 -1.963 12.589 1.00 25.00 C ATOM 0 HA PRO A 72 19.003 -1.522 11.810 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.998 0.383 13.555 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.878 -1.285 14.079 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.278 0.161 12.947 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.176 -0.800 14.408 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.116 -1.911 12.136 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.107 -2.857 13.213 1.00 25.00 H new ATOM 1231 N GLU A 73 20.934 0.411 10.234 1.00 25.00 N ATOM 1232 CA GLU A 73 20.966 1.539 9.310 1.00 25.00 C ATOM 1233 C GLU A 73 20.061 1.273 8.111 1.00 25.00 C ATOM 1234 O GLU A 73 19.654 2.195 7.403 1.00 25.00 O ATOM 1235 CB GLU A 73 22.401 1.772 8.824 1.00 25.00 C ATOM 1236 CG GLU A 73 23.417 1.919 9.958 1.00 25.00 C ATOM 1237 CD GLU A 73 23.012 2.979 10.972 1.00 25.00 C ATOM 1238 OE1 GLU A 73 22.838 4.153 10.581 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.850 2.627 12.161 1.00 25.00 O ATOM 0 H GLU A 73 21.782 -0.156 10.234 1.00 25.00 H new ATOM 0 HA GLU A 73 20.608 2.426 9.833 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.699 0.940 8.186 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.425 2.671 8.207 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.531 0.961 10.465 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.390 2.175 9.538 1.00 25.00 H new ATOM 1246 N LYS A 74 19.754 0.002 7.878 1.00 25.00 N ATOM 1247 CA LYS A 74 18.915 -0.384 6.744 1.00 25.00 C ATOM 1248 C LYS A 74 17.507 -0.780 7.158 1.00 25.00 C ATOM 1249 O LYS A 74 16.550 -0.458 6.454 1.00 25.00 O ATOM 1250 CB LYS A 74 19.576 -1.520 5.979 1.00 25.00 C ATOM 1251 CG LYS A 74 19.827 -1.202 4.506 1.00 25.00 C ATOM 1252 CD LYS A 74 18.521 -0.998 3.746 1.00 25.00 C ATOM 1253 CE LYS A 74 18.759 -1.044 2.250 1.00 25.00 C ATOM 1254 NZ LYS A 74 17.453 -1.015 1.519 1.00 25.00 N ATOM 0 H LYS A 74 20.071 -0.777 8.455 1.00 25.00 H new ATOM 0 HA LYS A 74 18.818 0.492 6.102 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.525 -1.764 6.456 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.947 -2.408 6.048 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.439 -0.304 4.426 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.392 -2.014 4.049 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.805 -1.770 4.029 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.081 -0.039 4.020 1.00 25.00 H new ATOM 0 HE2 LYS A 74 19.374 -0.197 1.946 1.00 25.00 H new ATOM 0 HE3 LYS A 74 19.310 -1.948 1.989 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 17.534 -0.395 0.688 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.206 -1.977 1.210 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 16.710 -0.653 2.150 1.00 25.00 H new ATOM 1268 N VAL A 75 17.364 -1.435 8.300 1.00 25.00 N ATOM 1269 CA VAL A 75 16.034 -1.722 8.839 1.00 25.00 C ATOM 1270 C VAL A 75 16.030 -1.160 10.252 1.00 25.00 C ATOM 1271 O VAL A 75 16.908 -1.478 11.041 1.00 25.00 O ATOM 1272 CB VAL A 75 15.779 -3.268 8.894 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.426 -3.598 9.550 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.827 -3.865 7.489 1.00 25.00 C ATOM 0 H VAL A 75 18.139 -1.776 8.869 1.00 25.00 H new ATOM 0 HA VAL A 75 15.256 -1.282 8.215 1.00 25.00 H new ATOM 0 HB VAL A 75 16.569 -3.707 9.504 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.285 -4.679 9.570 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.412 -3.211 10.569 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.622 -3.138 8.976 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.648 -4.939 7.544 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.060 -3.400 6.870 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.808 -3.682 7.049 1.00 25.00 H new ATOM 1284 N PRO A 76 15.003 -0.379 10.623 1.00 25.00 N ATOM 1285 CA PRO A 76 15.069 0.110 12.002 1.00 25.00 C ATOM 1286 C PRO A 76 14.614 -0.939 13.003 1.00 25.00 C ATOM 1287 O PRO A 76 13.756 -1.761 12.706 1.00 25.00 O ATOM 1288 CB PRO A 76 14.114 1.298 11.983 1.00 25.00 C ATOM 1289 CG PRO A 76 13.091 0.936 10.973 1.00 25.00 C ATOM 1290 CD PRO A 76 13.833 0.164 9.904 1.00 25.00 C ATOM 0 HA PRO A 76 16.083 0.366 12.310 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.664 1.461 12.962 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.631 2.219 11.712 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.299 0.331 11.416 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.618 1.826 10.557 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.217 -0.630 9.481 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.133 0.809 9.078 1.00 25.00 H new ATOM 1298 N VAL A 77 15.109 -0.857 14.228 1.00 25.00 N ATOM 1299 CA VAL A 77 14.669 -1.777 15.277 1.00 25.00 C ATOM 1300 C VAL A 77 13.186 -1.557 15.607 1.00 25.00 C ATOM 1301 O VAL A 77 12.503 -2.454 16.095 1.00 25.00 O ATOM 1302 CB VAL A 77 15.534 -1.639 16.564 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.983 -2.049 16.273 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.504 -0.194 17.111 1.00 25.00 C ATOM 0 H VAL A 77 15.807 -0.174 14.523 1.00 25.00 H new ATOM 0 HA VAL A 77 14.798 -2.790 14.895 1.00 25.00 H new ATOM 0 HB VAL A 77 15.112 -2.300 17.321 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.579 -1.948 17.180 1.00 25.00 H new ATOM 0 HG12 VAL A 77 17.007 -3.085 15.936 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.394 -1.405 15.496 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.118 -0.132 18.010 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.895 0.489 16.357 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.478 0.082 17.353 1.00 25.00 H new ATOM 1314 N THR A 78 12.664 -0.383 15.279 1.00 25.00 N ATOM 1315 CA THR A 78 11.251 -0.100 15.522 1.00 25.00 C ATOM 1316 C THR A 78 10.365 -0.822 14.519 1.00 25.00 C ATOM 1317 O THR A 78 9.187 -1.010 14.774 1.00 25.00 O ATOM 1318 CB THR A 78 10.942 1.418 15.505 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.744 1.668 16.242 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.761 1.963 14.114 1.00 25.00 C ATOM 0 H THR A 78 13.186 0.381 14.850 1.00 25.00 H new ATOM 0 HA THR A 78 11.030 -0.472 16.522 1.00 25.00 H new ATOM 0 HB THR A 78 11.800 1.918 15.954 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.115 0.929 16.105 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.547 3.030 14.166 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.673 1.804 13.539 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.931 1.450 13.627 1.00 25.00 H new ATOM 1328 N ALA A 79 10.921 -1.277 13.403 1.00 25.00 N ATOM 1329 CA ALA A 79 10.120 -2.008 12.426 1.00 25.00 C ATOM 1330 C ALA A 79 9.578 -3.279 13.072 1.00 25.00 C ATOM 1331 O ALA A 79 8.451 -3.666 12.822 1.00 25.00 O ATOM 1332 CB ALA A 79 10.946 -2.342 11.199 1.00 25.00 C ATOM 0 H ALA A 79 11.903 -1.157 13.154 1.00 25.00 H new ATOM 0 HA ALA A 79 9.286 -1.384 12.105 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.330 -2.887 10.483 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.306 -1.421 10.741 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.796 -2.959 11.490 1.00 25.00 H new ATOM 1338 N PHE A 80 10.367 -3.890 13.943 1.00 25.00 N ATOM 1339 CA PHE A 80 9.939 -5.093 14.654 1.00 25.00 C ATOM 1340 C PHE A 80 8.877 -4.767 15.699 1.00 25.00 C ATOM 1341 O PHE A 80 7.977 -5.560 15.959 1.00 25.00 O ATOM 1342 CB PHE A 80 11.140 -5.738 15.341 1.00 25.00 C ATOM 1343 CG PHE A 80 12.227 -6.134 14.389 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.207 -7.398 13.777 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.281 -5.248 14.092 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.220 -7.779 12.881 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.299 -5.613 13.185 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.267 -6.883 12.578 1.00 25.00 C ATOM 0 H PHE A 80 11.308 -3.575 14.177 1.00 25.00 H new ATOM 0 HA PHE A 80 9.509 -5.782 13.927 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.546 -5.043 16.076 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.806 -6.620 15.887 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.404 -8.085 13.998 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.311 -4.277 14.564 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.197 -8.757 12.424 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.098 -4.922 12.958 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.042 -7.171 11.882 1.00 25.00 H new ATOM 1358 N SER A 81 8.973 -3.588 16.291 1.00 25.00 N ATOM 1359 CA SER A 81 8.002 -3.158 17.301 1.00 25.00 C ATOM 1360 C SER A 81 6.669 -2.900 16.611 1.00 25.00 C ATOM 1361 O SER A 81 5.620 -3.372 17.049 1.00 25.00 O ATOM 1362 CB SER A 81 8.485 -1.886 18.005 1.00 25.00 C ATOM 1363 OG SER A 81 7.576 -1.489 19.015 1.00 25.00 O ATOM 0 H SER A 81 9.708 -2.909 16.095 1.00 25.00 H new ATOM 0 HA SER A 81 7.889 -3.938 18.054 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.468 -2.059 18.443 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.598 -1.083 17.276 1.00 25.00 H new ATOM 0 HG SER A 81 7.906 -0.676 19.451 1.00 25.00 H new ATOM 1369 N TYR A 82 6.731 -2.218 15.478 1.00 25.00 N ATOM 1370 CA TYR A 82 5.554 -1.962 14.665 1.00 25.00 C ATOM 1371 C TYR A 82 4.975 -3.275 14.173 1.00 25.00 C ATOM 1372 O TYR A 82 3.779 -3.491 14.233 1.00 25.00 O ATOM 1373 CB TYR A 82 5.926 -1.087 13.470 1.00 25.00 C ATOM 1374 CG TYR A 82 5.699 0.379 13.730 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.437 0.946 13.489 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.727 1.209 14.238 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.198 2.324 13.737 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.488 2.588 14.486 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.227 3.130 14.227 1.00 25.00 C ATOM 1380 OH TYR A 82 4.993 4.463 14.454 1.00 25.00 O ATOM 0 H TYR A 82 7.594 -1.829 15.098 1.00 25.00 H new ATOM 0 HA TYR A 82 4.811 -1.443 15.271 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.974 -1.249 13.218 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.339 -1.393 12.604 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.638 0.326 13.110 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.702 0.791 14.439 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.223 2.747 13.547 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.278 3.214 14.873 1.00 25.00 H new ATOM 0 HH TYR A 82 5.809 4.885 14.795 1.00 25.00 H new ATOM 1390 N TRP A 83 5.832 -4.172 13.719 1.00 25.00 N ATOM 1391 CA TRP A 83 5.392 -5.464 13.217 1.00 25.00 C ATOM 1392 C TRP A 83 4.606 -6.235 14.274 1.00 25.00 C ATOM 1393 O TRP A 83 3.621 -6.906 13.964 1.00 25.00 O ATOM 1394 CB TRP A 83 6.615 -6.282 12.795 1.00 25.00 C ATOM 1395 CG TRP A 83 6.280 -7.649 12.306 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.910 -8.014 11.056 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.286 -8.869 13.074 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.666 -9.353 10.976 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.887 -9.918 12.198 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.591 -9.183 14.415 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.784 -11.258 12.619 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.499 -10.532 14.843 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.094 -11.556 13.934 1.00 25.00 C ATOM 0 H TRP A 83 6.842 -4.030 13.687 1.00 25.00 H new ATOM 0 HA TRP A 83 4.735 -5.295 12.364 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.147 -5.745 12.010 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.296 -6.365 13.642 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.819 -7.330 10.225 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.367 -9.852 10.138 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.890 -8.408 15.105 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.471 -12.032 11.934 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.737 -10.787 15.865 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.029 -12.578 14.278 1.00 25.00 H new ATOM 1414 N ASN A 84 5.032 -6.119 15.524 1.00 25.00 N ATOM 1415 CA ASN A 84 4.388 -6.825 16.632 1.00 25.00 C ATOM 1416 C ASN A 84 2.985 -6.281 16.900 1.00 25.00 C ATOM 1417 O ASN A 84 2.077 -7.043 17.225 1.00 25.00 O ATOM 1418 CB ASN A 84 5.236 -6.721 17.905 1.00 25.00 C ATOM 1419 CG ASN A 84 6.166 -7.900 18.080 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.748 -8.979 18.478 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.416 -7.710 17.776 1.00 25.00 N ATOM 0 H ASN A 84 5.825 -5.540 15.801 1.00 25.00 H new ATOM 0 HA ASN A 84 4.301 -7.873 16.345 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.822 -5.802 17.873 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.578 -6.650 18.771 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.085 -8.475 17.866 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.728 -6.796 17.447 1.00 25.00 H new ATOM 1428 N LEU A 85 2.809 -4.978 16.715 1.00 25.00 N ATOM 1429 CA LEU A 85 1.512 -4.317 16.911 1.00 25.00 C ATOM 1430 C LEU A 85 0.477 -4.869 15.928 1.00 25.00 C ATOM 1431 O LEU A 85 -0.674 -5.104 16.276 1.00 25.00 O ATOM 1432 CB LEU A 85 1.698 -2.797 16.722 1.00 25.00 C ATOM 1433 CG LEU A 85 0.547 -1.822 17.036 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.148 -0.423 17.202 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.525 -1.760 15.936 1.00 25.00 C ATOM 0 H LEU A 85 3.555 -4.346 16.426 1.00 25.00 H new ATOM 0 HA LEU A 85 1.145 -4.513 17.919 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.548 -2.499 17.335 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.982 -2.635 15.682 1.00 25.00 H new ATOM 0 HG LEU A 85 0.054 -2.180 17.940 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.354 0.290 17.426 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.869 -0.431 18.019 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.649 -0.130 16.279 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.303 -1.054 16.226 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.069 -1.434 15.001 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.964 -2.748 15.800 1.00 25.00 H new ATOM 1447 N ILE A 86 0.887 -5.104 14.694 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.034 -5.658 13.704 1.00 25.00 C ATOM 1449 C ILE A 86 -0.147 -7.171 13.914 1.00 25.00 C ATOM 1450 O ILE A 86 -1.198 -7.764 13.677 1.00 25.00 O ATOM 1451 CB ILE A 86 0.398 -5.332 12.246 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.262 -3.825 11.951 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.502 -6.060 11.242 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.453 -2.978 12.351 1.00 25.00 C ATOM 0 H ILE A 86 1.832 -4.926 14.353 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.009 -5.192 13.848 1.00 25.00 H new ATOM 0 HB ILE A 86 1.436 -5.651 12.147 1.00 25.00 H new ATOM 0 HG12 ILE A 86 0.086 -3.695 10.883 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.621 -3.448 12.467 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.184 -5.819 10.227 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.428 -7.136 11.400 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.535 -5.743 11.383 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.258 -1.935 12.102 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.620 -3.069 13.424 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.339 -3.319 11.815 1.00 25.00 H new ATOM 1466 N LYS A 87 0.907 -7.802 14.408 1.00 25.00 N ATOM 1467 CA LYS A 87 0.863 -9.239 14.663 1.00 25.00 C ATOM 1468 C LYS A 87 -0.242 -9.553 15.665 1.00 25.00 C ATOM 1469 O LYS A 87 -1.025 -10.456 15.435 1.00 25.00 O ATOM 1470 CB LYS A 87 2.239 -9.745 15.137 1.00 25.00 C ATOM 1471 CG LYS A 87 2.222 -10.699 16.334 1.00 25.00 C ATOM 1472 CD LYS A 87 3.623 -11.034 16.780 1.00 25.00 C ATOM 1473 CE LYS A 87 3.605 -11.674 18.163 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.989 -11.740 18.749 1.00 25.00 N ATOM 0 H LYS A 87 1.793 -7.352 14.639 1.00 25.00 H new ATOM 0 HA LYS A 87 0.631 -9.766 13.737 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.727 -10.248 14.302 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.854 -8.882 15.393 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.674 -10.243 17.158 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.693 -11.614 16.067 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.086 -11.714 16.064 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.231 -10.129 16.799 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.954 -11.101 18.824 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.187 -12.678 18.097 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.934 -12.069 19.734 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.569 -12.402 18.195 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.422 -10.795 18.724 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.350 -8.803 16.750 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.393 -9.090 17.734 1.00 25.00 C ATOM 1490 C GLU A 88 -2.770 -8.766 17.152 1.00 25.00 C ATOM 1491 O GLU A 88 -3.754 -9.427 17.476 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.140 -8.332 19.047 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.077 -6.824 18.900 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.707 -6.113 20.187 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.058 -6.610 21.277 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.118 -5.007 20.103 1.00 25.00 O ATOM 0 H GLU A 88 0.252 -8.010 16.973 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.367 -10.154 17.969 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.930 -8.583 19.755 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.202 -8.682 19.479 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.348 -6.571 18.130 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.044 -6.458 18.556 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.832 -7.802 16.241 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.095 -7.443 15.607 1.00 25.00 C ATOM 1505 C LEU A 89 -4.620 -8.554 14.704 1.00 25.00 C ATOM 1506 O LEU A 89 -5.800 -8.876 14.751 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.951 -6.153 14.794 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.060 -4.832 15.577 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.718 -3.664 14.652 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.470 -4.624 16.159 1.00 25.00 C ATOM 0 H LEU A 89 -2.029 -7.258 15.926 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.815 -7.288 16.411 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.984 -6.173 14.291 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.715 -6.153 14.016 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.357 -4.878 16.409 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.795 -2.728 15.205 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.701 -3.782 14.277 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.414 -3.648 13.813 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.503 -3.680 16.704 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.198 -4.601 15.348 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.708 -5.443 16.838 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.767 -9.140 13.876 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.234 -10.186 12.963 1.00 25.00 C ATOM 1524 C ILE A 90 -4.392 -11.510 13.714 1.00 25.00 C ATOM 1525 O ILE A 90 -5.302 -12.289 13.425 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.288 -10.432 11.747 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.924 -9.126 11.016 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.991 -11.363 10.725 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.705 -9.283 10.070 1.00 25.00 C ATOM 0 H ILE A 90 -2.773 -8.921 13.813 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.187 -9.828 12.575 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.376 -10.881 12.139 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.784 -8.787 10.439 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.709 -8.351 11.752 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.330 -11.535 9.875 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.225 -12.315 11.201 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.912 -10.894 10.379 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.497 -8.330 9.584 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.834 -9.594 10.647 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.926 -10.036 9.313 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.514 -11.781 14.671 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.577 -13.040 15.422 1.00 25.00 C ATOM 1543 C ASP A 91 -4.894 -13.088 16.185 1.00 25.00 C ATOM 1544 O ASP A 91 -5.563 -14.116 16.221 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.389 -13.163 16.390 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.195 -14.581 16.917 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.883 -14.967 17.885 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.283 -15.284 16.400 1.00 25.00 O ATOM 0 H ASP A 91 -2.756 -11.157 14.948 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.522 -13.878 14.727 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.479 -12.842 15.883 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.541 -12.486 17.231 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.304 -11.945 16.724 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.558 -11.855 17.472 1.00 25.00 C ATOM 1555 C LYS A 92 -7.627 -11.046 16.764 1.00 25.00 C ATOM 1556 O LYS A 92 -8.455 -10.388 17.395 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.293 -11.358 18.902 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.396 -12.320 19.719 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.035 -13.719 19.799 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.200 -14.728 20.533 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.772 -16.079 20.190 1.00 25.00 N ATOM 0 H LYS A 92 -4.789 -11.067 16.658 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.969 -12.863 17.533 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.819 -10.377 18.858 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.244 -11.230 19.419 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.412 -12.390 19.256 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.248 -11.924 20.724 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.004 -13.637 20.291 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.220 -14.082 18.788 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.155 -14.660 20.232 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.234 -14.553 21.608 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.727 -16.697 21.025 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.763 -15.971 19.892 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.222 -16.503 19.416 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.695 -11.205 15.448 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.792 -10.626 14.664 1.00 25.00 C ATOM 1577 C LYS A 93 -10.098 -11.342 15.010 1.00 25.00 C ATOM 1578 O LYS A 93 -11.178 -10.826 14.786 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.495 -10.724 13.165 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.437 -12.148 12.624 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.885 -12.147 11.206 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.568 -13.549 10.708 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.525 -14.234 11.548 1.00 25.00 N ATOM 0 H LYS A 93 -7.011 -11.726 14.899 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.892 -9.569 14.913 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.260 -10.172 12.619 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.543 -10.233 12.963 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.808 -12.764 13.267 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.433 -12.590 12.634 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.609 -11.681 10.537 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.981 -11.539 11.171 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.480 -14.146 10.708 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.222 -13.495 9.676 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.819 -14.681 10.929 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.056 -13.534 12.158 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -6.977 -14.961 12.139 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.960 -12.516 15.612 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.088 -13.338 16.063 1.00 25.00 C ATOM 1599 C GLU A 94 -11.974 -12.628 17.093 1.00 25.00 C ATOM 1600 O GLU A 94 -13.171 -12.871 17.147 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.547 -14.650 16.669 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.337 -14.452 17.607 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.836 -15.743 18.243 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.624 -16.728 17.513 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.539 -15.729 19.463 1.00 25.00 O ATOM 0 H GLU A 94 -9.050 -12.935 15.806 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.711 -13.538 15.191 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.348 -15.140 17.223 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.261 -15.322 15.860 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.523 -13.995 17.044 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.611 -13.751 18.396 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.390 -11.740 17.889 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.138 -11.016 18.927 1.00 25.00 C ATOM 1614 C VAL A 95 -12.125 -9.514 18.652 1.00 25.00 C ATOM 1615 O VAL A 95 -12.560 -8.710 19.470 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.559 -11.313 20.347 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.753 -12.798 20.700 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.064 -10.956 20.427 1.00 25.00 C ATOM 0 H VAL A 95 -10.400 -11.499 17.841 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.170 -11.366 18.900 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.100 -10.694 21.063 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.345 -12.992 21.692 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.816 -13.038 20.691 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.235 -13.417 19.967 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.691 -11.174 21.428 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.510 -11.545 19.697 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.931 -9.895 20.214 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.634 -9.143 17.479 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.576 -7.740 17.061 1.00 25.00 C ATOM 1630 C ASN A 96 -12.286 -7.603 15.716 1.00 25.00 C ATOM 1631 O ASN A 96 -11.644 -7.624 14.663 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.121 -7.278 16.931 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.510 -6.911 18.253 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.715 -5.818 18.751 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.733 -7.797 18.807 1.00 25.00 N ATOM 0 H ASN A 96 -11.265 -9.798 16.789 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.066 -7.117 17.809 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.532 -8.071 16.471 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.075 -6.418 16.263 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.269 -7.587 19.691 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.588 -8.701 18.357 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.622 -7.450 15.721 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.305 -7.394 14.422 1.00 25.00 C ATOM 1644 C PRO A 97 -13.959 -6.160 13.592 1.00 25.00 C ATOM 1645 O PRO A 97 -14.127 -6.164 12.376 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.787 -7.413 14.814 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.817 -6.802 16.167 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.581 -7.343 16.837 1.00 25.00 C ATOM 0 HA PRO A 97 -14.006 -8.218 13.774 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.393 -6.845 14.108 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.182 -8.429 14.828 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.799 -5.713 16.114 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.720 -7.080 16.711 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.219 -6.674 17.618 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.766 -8.310 17.305 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.427 -5.122 14.229 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.003 -3.935 13.506 1.00 25.00 C ATOM 1658 C GLN A 98 -11.860 -4.328 12.599 1.00 25.00 C ATOM 1659 O GLN A 98 -11.897 -4.097 11.402 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.496 -2.835 14.456 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.568 -2.136 15.285 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.149 -3.015 16.381 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -13.511 -3.946 16.852 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.363 -2.736 16.775 1.00 25.00 N ATOM 0 H GLN A 98 -13.281 -5.081 15.238 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.857 -3.545 12.952 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.766 -3.275 15.135 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.971 -2.084 13.866 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.142 -1.239 15.735 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.372 -1.810 14.626 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.866 -1.952 16.360 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.808 -3.303 17.497 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.828 -4.924 13.170 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.662 -5.224 12.370 1.00 25.00 C ATOM 1675 C VAL A 99 -9.952 -6.361 11.410 1.00 25.00 C ATOM 1676 O VAL A 99 -9.396 -6.397 10.343 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.402 -5.504 13.227 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.378 -6.943 13.731 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.145 -5.202 12.411 1.00 25.00 C ATOM 0 H VAL A 99 -10.775 -5.200 14.150 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.434 -4.332 11.786 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.431 -4.852 14.100 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.481 -7.104 14.328 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.260 -7.129 14.344 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.376 -7.626 12.882 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.261 -5.400 13.017 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.126 -5.835 11.524 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.150 -4.155 12.109 1.00 25.00 H new ATOM 1689 N MET A 100 -10.879 -7.246 11.743 1.00 25.00 N ATOM 1690 CA MET A 100 -11.255 -8.323 10.831 1.00 25.00 C ATOM 1691 C MET A 100 -11.854 -7.733 9.546 1.00 25.00 C ATOM 1692 O MET A 100 -11.581 -8.200 8.444 1.00 25.00 O ATOM 1693 CB MET A 100 -12.262 -9.237 11.519 1.00 25.00 C ATOM 1694 CG MET A 100 -12.019 -10.736 11.321 1.00 25.00 C ATOM 1695 SD MET A 100 -11.776 -11.251 9.604 1.00 25.00 S ATOM 1696 CE MET A 100 -13.439 -11.058 8.908 1.00 25.00 C ATOM 0 H MET A 100 -11.383 -7.243 12.630 1.00 25.00 H new ATOM 0 HA MET A 100 -10.372 -8.904 10.565 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.254 -9.021 12.587 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.259 -8.995 11.152 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.142 -11.026 11.899 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.867 -11.284 11.732 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.428 -11.342 7.856 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.136 -11.697 9.449 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.753 -10.018 9.000 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.605 -6.649 9.676 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.135 -5.962 8.505 1.00 25.00 C ATOM 1708 C ALA A 101 -11.993 -5.338 7.686 1.00 25.00 C ATOM 1709 O ALA A 101 -12.085 -5.222 6.470 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.139 -4.885 8.936 1.00 25.00 C ATOM 0 H ALA A 101 -12.860 -6.229 10.570 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.650 -6.688 7.876 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.529 -4.377 8.054 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.961 -5.351 9.480 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.641 -4.161 9.581 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.913 -4.951 8.353 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.768 -4.352 7.679 1.00 25.00 C ATOM 1718 C ALA A 102 -8.917 -5.441 7.025 1.00 25.00 C ATOM 1719 O ALA A 102 -8.302 -5.206 6.002 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.933 -3.546 8.670 1.00 25.00 C ATOM 0 H ALA A 102 -10.806 -5.042 9.363 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.129 -3.677 6.903 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.081 -3.104 8.153 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.545 -2.755 9.103 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.575 -4.203 9.463 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.905 -6.630 7.609 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.175 -7.777 7.056 1.00 25.00 C ATOM 1728 C VAL A 103 -8.762 -8.076 5.686 1.00 25.00 C ATOM 1729 O VAL A 103 -8.035 -8.187 4.699 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.332 -9.015 8.009 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.882 -10.322 7.366 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.545 -8.778 9.314 1.00 25.00 C ATOM 0 H VAL A 103 -9.398 -6.834 8.478 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.111 -7.557 6.967 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.396 -9.115 8.224 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.015 -11.140 8.074 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.479 -10.513 6.474 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.830 -10.248 7.090 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.659 -9.641 9.970 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.490 -8.636 9.082 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.929 -7.889 9.814 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.083 -8.139 5.626 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.775 -8.405 4.375 1.00 25.00 C ATOM 1744 C ALA A 104 -10.556 -7.260 3.378 1.00 25.00 C ATOM 1745 O ALA A 104 -10.235 -7.494 2.221 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.265 -8.607 4.652 1.00 25.00 C ATOM 0 H ALA A 104 -10.698 -8.009 6.430 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.370 -9.313 3.929 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.785 -8.807 3.715 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.398 -9.452 5.328 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.675 -7.707 5.110 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.690 -6.027 3.842 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.498 -4.868 2.969 1.00 25.00 C ATOM 1754 C GLN A 105 -9.082 -4.782 2.422 1.00 25.00 C ATOM 1755 O GLN A 105 -8.889 -4.396 1.282 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.812 -3.577 3.717 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.293 -3.275 3.792 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.573 -2.009 4.561 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.120 -0.930 4.201 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.311 -2.131 5.631 1.00 25.00 N ATOM 0 H GLN A 105 -10.928 -5.799 4.807 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.183 -4.996 2.131 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.410 -3.644 4.728 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.303 -2.747 3.226 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.696 -3.183 2.783 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.810 -4.109 4.267 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.671 -3.046 5.900 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.527 -1.311 6.198 1.00 25.00 H new ATOM 1769 N THR A 106 -8.087 -5.137 3.218 1.00 25.00 N ATOM 1770 CA THR A 106 -6.706 -5.076 2.749 1.00 25.00 C ATOM 1771 C THR A 106 -6.547 -6.042 1.581 1.00 25.00 C ATOM 1772 O THR A 106 -5.956 -5.687 0.575 1.00 25.00 O ATOM 1773 CB THR A 106 -5.691 -5.415 3.864 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.909 -4.561 4.986 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.266 -5.189 3.402 1.00 25.00 C ATOM 0 H THR A 106 -8.202 -5.466 4.177 1.00 25.00 H new ATOM 0 HA THR A 106 -6.495 -4.054 2.433 1.00 25.00 H new ATOM 0 HB THR A 106 -5.833 -6.464 4.124 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.724 -4.838 5.454 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.578 -5.437 4.210 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.058 -5.824 2.541 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.136 -4.144 3.122 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.126 -7.232 1.671 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.081 -8.164 0.541 1.00 25.00 C ATOM 1785 C GLU A 107 -7.766 -7.588 -0.694 1.00 25.00 C ATOM 1786 O GLU A 107 -7.246 -7.714 -1.794 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.752 -9.494 0.874 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.991 -10.336 1.860 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.525 -11.759 1.959 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.366 -12.164 1.117 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.052 -12.495 2.855 1.00 25.00 O ATOM 0 H GLU A 107 -7.623 -7.574 2.493 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.023 -8.328 0.334 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.747 -9.297 1.273 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.885 -10.062 -0.047 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.941 -10.367 1.570 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.037 -9.867 2.843 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.919 -6.953 -0.524 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.646 -6.372 -1.661 1.00 25.00 C ATOM 1800 C GLU A 108 -8.795 -5.309 -2.350 1.00 25.00 C ATOM 1801 O GLU A 108 -8.707 -5.258 -3.574 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.954 -5.716 -1.196 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.000 -6.685 -0.665 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.249 -5.960 -0.169 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.125 -5.068 0.705 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.353 -6.274 -0.660 1.00 25.00 O ATOM 0 H GLU A 108 -9.373 -6.824 0.380 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.869 -7.182 -2.356 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.723 -4.990 -0.417 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.383 -5.162 -2.031 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.276 -7.387 -1.451 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.573 -7.270 0.149 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.159 -4.469 -1.551 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.332 -3.378 -2.065 1.00 25.00 C ATOM 1815 C ILE A 109 -6.094 -3.944 -2.759 1.00 25.00 C ATOM 1816 O ILE A 109 -5.709 -3.478 -3.821 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.928 -2.413 -0.906 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.195 -1.738 -0.338 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.939 -1.327 -1.396 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.048 -1.210 1.093 1.00 25.00 C ATOM 0 H ILE A 109 -8.197 -4.519 -0.533 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.907 -2.809 -2.795 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.433 -2.997 -0.130 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.473 -0.910 -0.990 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.016 -2.455 -0.365 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.678 -0.672 -0.565 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.037 -1.803 -1.780 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.405 -0.741 -2.188 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.985 -0.752 1.410 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.802 -2.035 1.762 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.252 -0.466 1.126 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.498 -4.979 -2.187 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.313 -5.604 -2.780 1.00 25.00 C ATOM 1834 C LEU A 110 -4.647 -6.247 -4.118 1.00 25.00 C ATOM 1835 O LEU A 110 -3.861 -6.182 -5.053 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.752 -6.666 -1.830 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.610 -6.232 -0.892 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.799 -4.841 -0.259 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.470 -7.287 0.207 1.00 25.00 C ATOM 0 H LEU A 110 -5.810 -5.407 -1.315 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.567 -4.827 -2.944 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.572 -7.038 -1.216 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.397 -7.504 -2.430 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.708 -6.153 -1.499 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.949 -4.616 0.386 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.866 -4.089 -1.046 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.715 -4.831 0.331 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.666 -7.001 0.885 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.405 -7.360 0.763 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.239 -8.253 -0.243 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.823 -6.846 -4.215 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.262 -7.488 -5.459 1.00 25.00 C ATOM 1853 C LYS A 111 -6.612 -6.445 -6.521 1.00 25.00 C ATOM 1854 O LYS A 111 -6.557 -6.720 -7.712 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.436 -8.405 -5.173 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.982 -9.634 -4.392 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.127 -10.281 -3.691 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.611 -11.306 -2.678 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.677 -11.852 -1.764 1.00 25.00 N ATOM 0 H LYS A 111 -6.496 -6.905 -3.451 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.443 -8.087 -5.857 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.194 -7.867 -4.605 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.899 -8.714 -6.110 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.518 -10.349 -5.071 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.223 -9.346 -3.665 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.726 -9.526 -3.183 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.778 -10.770 -4.416 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.149 -12.134 -3.217 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.830 -10.844 -2.074 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.281 -11.991 -0.813 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.469 -11.180 -1.714 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.018 -12.762 -2.133 1.00 25.00 H new ATOM 1873 N SER A 112 -6.958 -5.247 -6.073 1.00 25.00 N ATOM 1874 CA SER A 112 -7.250 -4.118 -6.963 1.00 25.00 C ATOM 1875 C SER A 112 -5.990 -3.381 -7.413 1.00 25.00 C ATOM 1876 O SER A 112 -6.047 -2.495 -8.267 1.00 25.00 O ATOM 1877 CB SER A 112 -8.133 -3.121 -6.226 1.00 25.00 C ATOM 1878 OG SER A 112 -8.719 -2.195 -7.124 1.00 25.00 O ATOM 0 H SER A 112 -7.046 -5.024 -5.082 1.00 25.00 H new ATOM 0 HA SER A 112 -7.742 -4.526 -7.846 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.916 -3.654 -5.686 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.541 -2.587 -5.483 1.00 25.00 H new ATOM 0 HG SER A 112 -8.105 -2.028 -7.869 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.884 -3.677 -6.748 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.626 -2.954 -6.954 1.00 25.00 C ATOM 1886 C ASN A 113 -2.878 -3.398 -8.227 1.00 25.00 C ATOM 1887 O ASN A 113 -3.442 -4.083 -9.077 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.743 -3.110 -5.710 1.00 25.00 C ATOM 1889 CG ASN A 113 -1.855 -1.921 -5.484 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -0.678 -1.950 -5.791 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -2.417 -0.864 -4.986 1.00 25.00 N ATOM 0 H ASN A 113 -4.827 -4.421 -6.052 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.867 -1.902 -7.104 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.376 -3.258 -4.835 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.128 -4.004 -5.814 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.869 -0.016 -4.839 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -3.407 -0.880 -4.741 1.00 25.00 H new ATOM 1898 N SER A 114 -1.627 -2.975 -8.385 1.00 25.00 N ATOM 1899 CA SER A 114 -0.870 -3.253 -9.606 1.00 25.00 C ATOM 1900 C SER A 114 0.625 -3.391 -9.326 1.00 25.00 C ATOM 1901 O SER A 114 1.137 -2.874 -8.345 1.00 25.00 O ATOM 1902 CB SER A 114 -1.093 -2.116 -10.607 1.00 25.00 C ATOM 1903 OG SER A 114 -0.408 -2.359 -11.826 1.00 25.00 O ATOM 0 H SER A 114 -1.115 -2.439 -7.685 1.00 25.00 H new ATOM 0 HA SER A 114 -1.225 -4.199 -10.015 1.00 25.00 H new ATOM 0 HB2 SER A 114 -2.160 -2.005 -10.803 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.749 -1.176 -10.175 1.00 25.00 H new ATOM 0 HG SER A 114 0.159 -1.589 -12.042 1.00 25.00 H new ATOM 1909 N GLN A 115 1.319 -4.083 -10.221 1.00 25.00 N ATOM 1910 CA GLN A 115 2.761 -4.324 -10.099 1.00 25.00 C ATOM 1911 C GLN A 115 3.577 -3.295 -10.903 1.00 25.00 C ATOM 1912 O GLN A 115 4.791 -3.411 -11.042 1.00 25.00 O ATOM 1913 CB GLN A 115 3.056 -5.735 -10.625 1.00 25.00 C ATOM 1914 CG GLN A 115 4.193 -6.458 -9.914 1.00 25.00 C ATOM 1915 CD GLN A 115 4.522 -7.778 -10.581 1.00 25.00 C ATOM 1916 OE1 GLN A 115 5.420 -7.861 -11.401 1.00 25.00 O ATOM 1917 NE2 GLN A 115 3.797 -8.809 -10.241 1.00 25.00 N ATOM 0 H GLN A 115 0.902 -4.496 -11.055 1.00 25.00 H new ATOM 0 HA GLN A 115 3.049 -4.228 -9.052 1.00 25.00 H new ATOM 0 HB2 GLN A 115 2.151 -6.336 -10.538 1.00 25.00 H new ATOM 0 HB3 GLN A 115 3.294 -5.669 -11.687 1.00 25.00 H new ATOM 0 HG2 GLN A 115 5.079 -5.823 -9.906 1.00 25.00 H new ATOM 0 HG3 GLN A 115 3.918 -6.634 -8.874 1.00 25.00 H new ATOM 0 HE21 GLN A 115 3.053 -8.704 -9.551 1.00 25.00 H new ATOM 0 HE22 GLN A 115 3.974 -9.719 -10.665 1.00 25.00 H new ATOM 1926 N THR A 116 2.894 -2.327 -11.492 1.00 25.00 N ATOM 1927 CA THR A 116 3.533 -1.365 -12.395 1.00 25.00 C ATOM 1928 C THR A 116 4.363 -0.269 -11.706 1.00 25.00 C ATOM 1929 O THR A 116 4.164 0.042 -10.542 1.00 25.00 O ATOM 1930 CB THR A 116 2.459 -0.660 -13.244 1.00 25.00 C ATOM 1931 OG1 THR A 116 1.414 -0.193 -12.387 1.00 25.00 O ATOM 1932 CG2 THR A 116 1.847 -1.622 -14.257 1.00 25.00 C ATOM 0 H THR A 116 1.893 -2.181 -11.364 1.00 25.00 H new ATOM 0 HA THR A 116 4.223 -1.963 -12.991 1.00 25.00 H new ATOM 0 HB THR A 116 2.931 0.168 -13.773 1.00 25.00 H new ATOM 0 HG1 THR A 116 0.729 0.258 -12.923 1.00 25.00 H new ATOM 0 HG21 THR A 116 1.091 -1.100 -14.844 1.00 25.00 H new ATOM 0 HG22 THR A 116 2.627 -1.997 -14.920 1.00 25.00 H new ATOM 0 HG23 THR A 116 1.385 -2.458 -13.732 1.00 25.00 H new ATOM 1940 N ASP A 117 5.254 0.331 -12.496 1.00 25.00 N ATOM 1941 CA ASP A 117 6.088 1.497 -12.116 1.00 25.00 C ATOM 1942 C ASP A 117 7.029 1.319 -10.912 1.00 25.00 C ATOM 1943 O ASP A 117 7.424 2.283 -10.258 1.00 25.00 O ATOM 1944 CB ASP A 117 5.222 2.751 -11.918 1.00 25.00 C ATOM 1945 CG ASP A 117 6.002 4.047 -12.170 1.00 25.00 C ATOM 1946 OD1 ASP A 117 6.948 4.024 -12.998 1.00 25.00 O ATOM 1947 OD2 ASP A 117 5.646 5.093 -11.587 1.00 25.00 O ATOM 0 H ASP A 117 5.429 0.017 -13.451 1.00 25.00 H new ATOM 0 HA ASP A 117 6.757 1.609 -12.969 1.00 25.00 H new ATOM 0 HB2 ASP A 117 4.367 2.708 -12.592 1.00 25.00 H new ATOM 0 HB3 ASP A 117 4.827 2.760 -10.902 1.00 25.00 H new ATOM 1952 N LEU A 118 7.457 0.090 -10.662 1.00 25.00 N ATOM 1953 CA LEU A 118 8.433 -0.163 -9.595 1.00 25.00 C ATOM 1954 C LEU A 118 9.810 0.375 -9.957 1.00 25.00 C ATOM 1955 O LEU A 118 10.674 0.642 -9.123 1.00 25.00 O ATOM 1956 CB LEU A 118 8.507 -1.665 -9.305 1.00 25.00 C ATOM 1957 CG LEU A 118 9.082 -2.604 -10.387 1.00 25.00 C ATOM 1958 CD1 LEU A 118 10.555 -2.927 -10.111 1.00 25.00 C ATOM 1959 CD2 LEU A 118 8.286 -3.902 -10.435 1.00 25.00 C ATOM 0 H LEU A 118 7.154 -0.740 -11.171 1.00 25.00 H new ATOM 0 HA LEU A 118 8.100 0.362 -8.700 1.00 25.00 H new ATOM 0 HB2 LEU A 118 9.103 -1.798 -8.402 1.00 25.00 H new ATOM 0 HB3 LEU A 118 7.498 -2.007 -9.074 1.00 25.00 H new ATOM 0 HG LEU A 118 9.008 -2.091 -11.346 1.00 25.00 H new ATOM 0 HD11 LEU A 118 10.934 -3.590 -10.889 1.00 25.00 H new ATOM 0 HD12 LEU A 118 11.135 -2.004 -10.106 1.00 25.00 H new ATOM 0 HD13 LEU A 118 10.645 -3.417 -9.141 1.00 25.00 H new ATOM 0 HD21 LEU A 118 8.702 -4.555 -11.202 1.00 25.00 H new ATOM 0 HD22 LEU A 118 8.341 -4.399 -9.466 1.00 25.00 H new ATOM 0 HD23 LEU A 118 7.245 -3.682 -10.671 1.00 25.00 H new ATOM 1971 N GLU A 119 9.968 0.509 -11.248 1.00 25.00 N ATOM 1972 CA GLU A 119 11.225 0.902 -11.894 1.00 25.00 C ATOM 1973 C GLU A 119 11.353 2.425 -12.144 1.00 25.00 C ATOM 1974 O GLU A 119 11.439 2.915 -13.275 1.00 25.00 O ATOM 1975 CB GLU A 119 11.395 0.082 -13.184 1.00 25.00 C ATOM 1976 CG GLU A 119 12.460 -0.994 -13.062 1.00 25.00 C ATOM 1977 CD GLU A 119 13.857 -0.410 -13.178 1.00 25.00 C ATOM 1978 OE1 GLU A 119 14.328 0.243 -12.220 1.00 25.00 O ATOM 1979 OE2 GLU A 119 14.431 -0.467 -14.283 1.00 25.00 O ATOM 0 H GLU A 119 9.211 0.346 -11.912 1.00 25.00 H new ATOM 0 HA GLU A 119 12.040 0.678 -11.206 1.00 25.00 H new ATOM 0 HB2 GLU A 119 10.443 -0.383 -13.442 1.00 25.00 H new ATOM 0 HB3 GLU A 119 11.654 0.752 -14.003 1.00 25.00 H new ATOM 0 HG2 GLU A 119 12.356 -1.503 -12.104 1.00 25.00 H new ATOM 0 HG3 GLU A 119 12.312 -1.744 -13.839 1.00 25.00 H new ATOM 1986 N HIS A 120 11.375 3.177 -11.055 1.00 25.00 N ATOM 1987 CA HIS A 120 11.495 4.641 -11.115 1.00 25.00 C ATOM 1988 C HIS A 120 12.917 5.120 -11.461 1.00 25.00 C ATOM 1989 O HIS A 120 13.887 4.721 -10.812 1.00 25.00 O ATOM 1990 CB HIS A 120 11.086 5.218 -9.757 1.00 25.00 C ATOM 1991 CG HIS A 120 11.420 4.318 -8.605 1.00 25.00 C ATOM 1992 ND1 HIS A 120 12.726 4.068 -8.166 1.00 25.00 N ATOM 1993 CD2 HIS A 120 10.635 3.558 -7.796 1.00 25.00 C ATOM 1994 CE1 HIS A 120 12.678 3.214 -7.150 1.00 25.00 C ATOM 1995 NE2 HIS A 120 11.431 2.897 -6.915 1.00 25.00 N ATOM 0 H HIS A 120 11.311 2.802 -10.108 1.00 25.00 H new ATOM 0 HA HIS A 120 10.842 4.991 -11.914 1.00 25.00 H new ATOM 0 HB2 HIS A 120 11.581 6.178 -9.614 1.00 25.00 H new ATOM 0 HB3 HIS A 120 10.013 5.410 -9.760 1.00 25.00 H new ATOM 0 HD1 HIS A 120 13.574 4.475 -8.561 1.00 25.00 H new ATOM 0 HD2 HIS A 120 9.558 3.491 -7.845 1.00 25.00 H new ATOM 0 HE1 HIS A 120 13.532 2.841 -6.605 1.00 25.00 H new ATOM 2003 N HIS A 121 13.034 6.028 -12.433 1.00 25.00 N ATOM 2004 CA HIS A 121 14.356 6.556 -12.857 1.00 25.00 C ATOM 2005 C HIS A 121 14.508 8.092 -12.847 1.00 25.00 C ATOM 2006 O HIS A 121 15.390 8.621 -12.173 1.00 25.00 O ATOM 2007 CB HIS A 121 14.692 6.019 -14.257 1.00 25.00 C ATOM 2008 CG HIS A 121 14.618 4.527 -14.352 1.00 25.00 C ATOM 2009 ND1 HIS A 121 13.802 3.843 -15.261 1.00 25.00 N ATOM 2010 CD2 HIS A 121 15.236 3.545 -13.642 1.00 25.00 C ATOM 2011 CE1 HIS A 121 13.951 2.539 -15.066 1.00 25.00 C ATOM 2012 NE2 HIS A 121 14.804 2.345 -14.102 1.00 25.00 N ATOM 0 H HIS A 121 12.242 6.418 -12.945 1.00 25.00 H new ATOM 0 HA HIS A 121 15.056 6.201 -12.100 1.00 25.00 H new ATOM 0 HB2 HIS A 121 14.005 6.457 -14.981 1.00 25.00 H new ATOM 0 HB3 HIS A 121 15.695 6.344 -14.532 1.00 25.00 H new ATOM 0 HD1 HIS A 121 13.194 4.275 -15.957 1.00 25.00 H new ATOM 0 HD2 HIS A 121 15.950 3.696 -12.846 1.00 25.00 H new ATOM 0 HE1 HIS A 121 13.445 1.762 -15.619 1.00 25.00 H new ATOM 2020 N HIS A 122 13.649 8.796 -13.586 1.00 25.00 N ATOM 2021 CA HIS A 122 13.707 10.272 -13.708 1.00 25.00 C ATOM 2022 C HIS A 122 15.110 10.758 -14.157 1.00 25.00 C ATOM 2023 O HIS A 122 15.839 10.046 -14.837 1.00 25.00 O ATOM 2024 CB HIS A 122 13.261 10.940 -12.381 1.00 25.00 C ATOM 2025 CG HIS A 122 12.670 12.313 -12.556 1.00 25.00 C ATOM 2026 ND1 HIS A 122 13.285 13.496 -12.113 1.00 25.00 N ATOM 2027 CD2 HIS A 122 11.500 12.726 -13.117 1.00 25.00 C ATOM 2028 CE1 HIS A 122 12.504 14.525 -12.425 1.00 25.00 C ATOM 2029 NE2 HIS A 122 11.429 14.083 -13.025 1.00 25.00 N ATOM 0 H HIS A 122 12.891 8.370 -14.120 1.00 25.00 H new ATOM 0 HA HIS A 122 13.011 10.576 -14.490 1.00 25.00 H new ATOM 0 HB2 HIS A 122 12.527 10.299 -11.892 1.00 25.00 H new ATOM 0 HB3 HIS A 122 14.120 11.008 -11.713 1.00 25.00 H new ATOM 0 HD1 HIS A 122 14.182 13.555 -11.632 1.00 25.00 H new ATOM 0 HD2 HIS A 122 10.753 12.085 -13.561 1.00 25.00 H new ATOM 0 HE1 HIS A 122 12.722 15.562 -12.216 1.00 25.00 H new ATOM 2037 N HIS A 123 15.449 11.988 -13.798 1.00 25.00 N ATOM 2038 CA HIS A 123 16.719 12.629 -14.139 1.00 25.00 C ATOM 2039 C HIS A 123 17.130 13.367 -12.866 1.00 25.00 C ATOM 2040 O HIS A 123 16.255 13.766 -12.091 1.00 25.00 O ATOM 2041 CB HIS A 123 16.488 13.610 -15.307 1.00 25.00 C ATOM 2042 CG HIS A 123 17.726 14.317 -15.774 1.00 25.00 C ATOM 2043 ND1 HIS A 123 18.669 13.750 -16.640 1.00 25.00 N ATOM 2044 CD2 HIS A 123 18.192 15.571 -15.535 1.00 25.00 C ATOM 2045 CE1 HIS A 123 19.627 14.643 -16.869 1.00 25.00 C ATOM 2046 NE2 HIS A 123 19.359 15.739 -16.211 1.00 25.00 N ATOM 0 H HIS A 123 14.834 12.587 -13.247 1.00 25.00 H new ATOM 0 HA HIS A 123 17.490 11.928 -14.458 1.00 25.00 H new ATOM 0 HB2 HIS A 123 16.058 13.063 -16.146 1.00 25.00 H new ATOM 0 HB3 HIS A 123 15.752 14.354 -15.001 1.00 25.00 H new ATOM 0 HD2 HIS A 123 17.714 16.312 -14.911 1.00 25.00 H new ATOM 0 HE1 HIS A 123 20.490 14.487 -17.499 1.00 25.00 H new ATOM 0 HE2 HIS A 123 19.932 16.583 -16.205 1.00 25.00 H new ATOM 2054 N HIS A 124 18.427 13.511 -12.619 1.00 25.00 N ATOM 2055 CA HIS A 124 18.910 14.299 -11.476 1.00 25.00 C ATOM 2056 C HIS A 124 18.852 15.751 -11.925 1.00 25.00 C ATOM 2057 O HIS A 124 19.521 16.099 -12.893 1.00 25.00 O ATOM 2058 CB HIS A 124 20.358 13.940 -11.109 1.00 25.00 C ATOM 2059 CG HIS A 124 20.510 12.583 -10.486 1.00 25.00 C ATOM 2060 ND1 HIS A 124 21.753 12.007 -10.193 1.00 25.00 N ATOM 2061 CD2 HIS A 124 19.599 11.665 -10.063 1.00 25.00 C ATOM 2062 CE1 HIS A 124 21.552 10.818 -9.636 1.00 25.00 C ATOM 2063 NE2 HIS A 124 20.267 10.595 -9.550 1.00 25.00 N ATOM 0 H HIS A 124 19.165 13.097 -13.188 1.00 25.00 H new ATOM 0 HA HIS A 124 18.301 14.103 -10.594 1.00 25.00 H new ATOM 0 HB2 HIS A 124 20.972 13.987 -12.008 1.00 25.00 H new ATOM 0 HB3 HIS A 124 20.744 14.691 -10.420 1.00 25.00 H new ATOM 0 HD2 HIS A 124 18.526 11.768 -10.124 1.00 25.00 H new ATOM 0 HE1 HIS A 124 22.328 10.143 -9.306 1.00 25.00 H new ATOM 0 HE2 HIS A 124 19.835 9.756 -9.162 1.00 25.00 H new ATOM 2071 N HIS A 125 18.039 16.556 -11.245 1.00 25.00 N ATOM 2072 CA HIS A 125 17.736 17.932 -11.669 1.00 25.00 C ATOM 2073 C HIS A 125 17.135 17.827 -13.078 1.00 25.00 C ATOM 2074 O HIS A 125 16.393 16.839 -13.283 1.00 25.00 O ATOM 2075 CB HIS A 125 18.991 18.835 -11.613 1.00 25.00 C ATOM 2076 CG HIS A 125 18.681 20.302 -11.556 1.00 25.00 C ATOM 2077 ND1 HIS A 125 18.025 20.987 -12.577 1.00 25.00 N ATOM 2078 CD2 HIS A 125 18.937 21.251 -10.613 1.00 25.00 C ATOM 2079 CE1 HIS A 125 17.909 22.265 -12.235 1.00 25.00 C ATOM 2080 NE2 HIS A 125 18.452 22.443 -11.058 1.00 25.00 N ATOM 2081 OXT HIS A 125 17.425 18.667 -13.952 1.00 25.00 O ATOM 0 H HIS A 125 17.569 16.278 -10.384 1.00 25.00 H new ATOM 0 HA HIS A 125 17.025 18.409 -10.995 1.00 25.00 H new ATOM 0 HB2 HIS A 125 19.583 18.564 -10.739 1.00 25.00 H new ATOM 0 HB3 HIS A 125 19.608 18.638 -12.489 1.00 25.00 H new ATOM 0 HD1 HIS A 125 17.688 20.574 -13.447 1.00 25.00 H new ATOM 0 HD2 HIS A 125 19.440 21.086 -9.671 1.00 25.00 H new ATOM 0 HE1 HIS A 125 17.442 23.034 -12.832 1.00 25.00 H new TER 2089 HIS A 125