USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 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 11 TYR OH : rot 45:sc= 0.0169 USER MOD Set 1.2: A 106 THR OG1 : rot 81:sc= 1.3 USER MOD Set 2.1: A 84 ASN : amide:sc= -0.106 K(o=0.17,f=-4.5!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -107:sc= 0.271 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -29:sc= -0.519 USER MOD Set 3.2: A 62 CYS SG : rot -147:sc= 0.348 USER MOD Set 4.1: A 17 GLN : amide:sc= 0 K(o=0.13,f=-1.6) USER MOD Set 4.2: A 98 GLN : amide:sc= 0.129 K(o=0.13,f=-2) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0769 F(o=-1.3,f=-0.077) USER MOD Single : A 6 SER OG : rot -3:sc= 0.741 USER MOD Single : A 7 GLN : amide:sc= 0.379 X(o=0.38,f=-0.032) USER MOD Single : A 8 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.83! C(o=-1.8!,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 1.29 (180deg=1.18) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00324) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0.00687 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 69 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= 0.865 (180deg=-0.222) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 1.65 (180deg=1.56) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0268) USER MOD Single : A 96 ASN : amide:sc= 0.203 K(o=0.2,f=-5.7!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= 1.02 (180deg=0.183) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00867 USER MOD Single : A 120 HIS : no HD1:sc= 0.468 K(o=0.47,f=-1.5!) USER MOD Single : A 121 HIS : no HE2:sc= -0.426! C(o=-0.43!,f=-5.6!) USER MOD Single : A 122 HIS : no HE2:sc= 0.342 K(o=0.34,f=-1.7) USER MOD Single : A 123 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.6!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.0185 X(o=0.019,f=-0.16) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.605 1.024 1.040 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.460 1.485 0.691 1.00 25.00 O HETATM 3 C2 MYR A 1 1.396 0.050 0.186 1.00 25.00 C HETATM 4 C3 MYR A 1 0.889 -1.413 0.400 1.00 25.00 C HETATM 5 C4 MYR A 1 1.270 -1.967 1.807 1.00 25.00 C HETATM 6 C5 MYR A 1 0.494 -3.248 2.162 1.00 25.00 C HETATM 7 C6 MYR A 1 0.729 -3.662 3.631 1.00 25.00 C HETATM 8 C7 MYR A 1 0.092 -5.044 3.940 1.00 25.00 C HETATM 9 C8 MYR A 1 0.420 -5.521 5.384 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.529 -4.940 6.468 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.674 -5.920 6.848 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.674 -5.230 7.807 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.744 -6.211 8.359 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.601 -5.572 9.492 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.638 -4.556 8.955 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.122 -3.751 8.433 1.00 25.00 H new HETATM 0 H142 MYR A 1 -6.317 -5.059 8.266 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.207 -4.142 9.788 1.00 25.00 H new HETATM 0 H132 MYR A 1 -5.119 -6.360 10.038 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.942 -5.072 10.202 1.00 25.00 H new HETATM 0 H122 MYR A 1 -4.398 -6.528 7.546 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.252 -7.106 8.739 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.127 -4.788 8.640 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.171 -4.414 7.283 1.00 25.00 H new HETATM 0 H102 MYR A 1 -2.192 -6.251 5.948 1.00 25.00 H new HETATM 0 H101 MYR A 1 -1.259 -6.809 7.323 1.00 25.00 H new HETATM 0 H92 MYR A 1 0.049 -4.699 7.360 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.960 -4.007 6.106 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.370 -6.609 5.417 1.00 25.00 H new HETATM 0 H81 MYR A 1 1.446 -5.241 5.625 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.989 -4.982 3.814 1.00 25.00 H new HETATM 0 H71 MYR A 1 0.455 -5.780 3.223 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.799 -3.700 3.833 1.00 25.00 H new HETATM 0 H61 MYR A 1 0.306 -2.908 4.295 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.571 -3.088 1.994 1.00 25.00 H new HETATM 0 H51 MYR A 1 0.803 -4.057 1.501 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.340 -2.174 1.836 1.00 25.00 H new HETATM 0 H41 MYR A 1 1.072 -1.205 2.561 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.194 -1.442 0.281 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.312 -2.059 -0.370 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.303 0.322 -0.865 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.454 0.114 0.439 1.00 25.00 H new ATOM 43 N GLY A 2 1.135 1.286 2.249 1.00 25.00 N ATOM 44 CA GLY A 2 0.476 2.043 3.301 1.00 25.00 C ATOM 45 C GLY A 2 0.066 3.443 2.915 1.00 25.00 C ATOM 46 O GLY A 2 -0.970 3.921 3.366 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.411 1.496 3.621 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.144 2.100 4.161 1.00 25.00 H new ATOM 50 N GLN A 3 0.836 4.094 2.058 1.00 25.00 N ATOM 51 CA GLN A 3 0.484 5.442 1.614 1.00 25.00 C ATOM 52 C GLN A 3 -0.847 5.389 0.866 1.00 25.00 C ATOM 53 O GLN A 3 -1.684 6.272 1.014 1.00 25.00 O ATOM 54 CB GLN A 3 1.582 6.013 0.710 1.00 25.00 C ATOM 55 CG GLN A 3 2.895 6.290 1.447 1.00 25.00 C ATOM 56 CD GLN A 3 3.999 6.734 0.510 1.00 25.00 C ATOM 57 OE1 GLN A 3 4.720 5.789 -0.024 1.00 25.00 O flip ATOM 58 NE2 GLN A 3 4.208 7.922 0.286 1.00 25.00 N flip ATOM 0 H GLN A 3 1.697 3.722 1.658 1.00 25.00 H new ATOM 0 HA GLN A 3 0.388 6.095 2.481 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.772 5.314 -0.104 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.225 6.939 0.258 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.730 7.060 2.201 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.210 5.390 1.974 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.622 8.634 0.722 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.967 8.198 -0.337 1.00 25.00 H new ATOM 67 N GLU A 4 -1.054 4.324 0.106 1.00 25.00 N ATOM 68 CA GLU A 4 -2.293 4.129 -0.635 1.00 25.00 C ATOM 69 C GLU A 4 -3.432 3.739 0.304 1.00 25.00 C ATOM 70 O GLU A 4 -4.550 4.208 0.172 1.00 25.00 O ATOM 71 CB GLU A 4 -2.086 3.026 -1.658 1.00 25.00 C ATOM 72 CG GLU A 4 -3.154 2.963 -2.685 1.00 25.00 C ATOM 73 CD GLU A 4 -2.940 4.010 -3.765 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.007 3.842 -4.580 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.630 5.055 -3.727 1.00 25.00 O ATOM 0 H GLU A 4 -0.373 3.574 -0.015 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.558 5.063 -1.131 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.126 3.175 -2.152 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.033 2.068 -1.141 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.171 1.970 -3.135 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.125 3.116 -2.214 1.00 25.00 H new ATOM 82 N LEU A 5 -3.142 2.903 1.286 1.00 25.00 N ATOM 83 CA LEU A 5 -4.160 2.535 2.283 1.00 25.00 C ATOM 84 C LEU A 5 -4.656 3.775 3.047 1.00 25.00 C ATOM 85 O LEU A 5 -5.857 3.937 3.229 1.00 25.00 O ATOM 86 CB LEU A 5 -3.639 1.482 3.278 1.00 25.00 C ATOM 87 CG LEU A 5 -3.750 -0.025 2.936 1.00 25.00 C ATOM 88 CD1 LEU A 5 -5.142 -0.447 2.557 1.00 25.00 C ATOM 89 CD2 LEU A 5 -2.793 -0.427 1.860 1.00 25.00 C ATOM 0 H LEU A 5 -2.230 2.467 1.423 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.994 2.097 1.735 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.586 1.698 3.457 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.162 1.640 4.221 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.487 -0.544 3.858 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -5.150 -1.513 2.330 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -5.821 -0.248 3.386 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -5.466 0.113 1.680 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -2.905 -1.491 1.652 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -3.002 0.143 0.955 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -1.773 -0.227 2.187 1.00 25.00 H new ATOM 101 N SER A 6 -3.761 4.684 3.427 1.00 25.00 N ATOM 102 CA SER A 6 -4.171 5.954 4.052 1.00 25.00 C ATOM 103 C SER A 6 -4.875 6.905 3.074 1.00 25.00 C ATOM 104 O SER A 6 -5.459 7.901 3.487 1.00 25.00 O ATOM 105 CB SER A 6 -2.961 6.675 4.662 1.00 25.00 C ATOM 106 OG SER A 6 -1.953 6.954 3.704 1.00 25.00 O ATOM 0 H SER A 6 -2.753 4.573 3.317 1.00 25.00 H new ATOM 0 HA SER A 6 -4.885 5.687 4.831 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.291 7.608 5.119 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.540 6.061 5.458 1.00 25.00 H new ATOM 0 HG SER A 6 -2.211 6.574 2.838 1.00 25.00 H new ATOM 112 N GLN A 7 -4.821 6.592 1.788 1.00 25.00 N ATOM 113 CA GLN A 7 -5.473 7.390 0.745 1.00 25.00 C ATOM 114 C GLN A 7 -6.857 6.799 0.436 1.00 25.00 C ATOM 115 O GLN A 7 -7.738 7.468 -0.094 1.00 25.00 O ATOM 116 CB GLN A 7 -4.579 7.359 -0.501 1.00 25.00 C ATOM 117 CG GLN A 7 -4.747 8.500 -1.469 1.00 25.00 C ATOM 118 CD GLN A 7 -3.443 8.780 -2.194 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.773 9.782 -1.923 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.041 7.881 -3.060 1.00 25.00 N ATOM 0 H GLN A 7 -4.324 5.776 1.431 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.611 8.420 1.073 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.539 7.336 -0.176 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.767 6.427 -1.034 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -5.527 8.260 -2.191 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.072 9.393 -0.935 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.623 7.067 -3.257 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -2.147 7.996 -3.536 1.00 25.00 H new ATOM 129 N HIS A 8 -7.036 5.534 0.791 1.00 25.00 N ATOM 130 CA HIS A 8 -8.294 4.816 0.581 1.00 25.00 C ATOM 131 C HIS A 8 -9.271 5.181 1.694 1.00 25.00 C ATOM 132 O HIS A 8 -9.366 4.487 2.697 1.00 25.00 O ATOM 133 CB HIS A 8 -8.010 3.306 0.578 1.00 25.00 C ATOM 134 CG HIS A 8 -9.022 2.496 -0.174 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.993 2.328 -1.562 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.095 1.767 0.239 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.998 1.536 -1.918 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.670 1.189 -0.851 1.00 25.00 N ATOM 0 H HIS A 8 -6.311 4.971 1.235 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.737 5.094 -0.375 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.026 3.133 0.143 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.970 2.952 1.608 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.433 1.665 1.260 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.224 1.228 -2.928 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -11.491 0.584 -0.838 1.00 25.00 H new ATOM 146 N GLU A 9 -9.975 6.288 1.535 1.00 25.00 N ATOM 147 CA GLU A 9 -10.831 6.825 2.600 1.00 25.00 C ATOM 148 C GLU A 9 -11.853 5.841 3.198 1.00 25.00 C ATOM 149 O GLU A 9 -12.125 5.901 4.387 1.00 25.00 O ATOM 150 CB GLU A 9 -11.528 8.097 2.110 1.00 25.00 C ATOM 151 CG GLU A 9 -12.503 7.881 0.960 1.00 25.00 C ATOM 152 CD GLU A 9 -13.049 9.191 0.415 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.765 10.256 1.003 1.00 25.00 O ATOM 154 OE2 GLU A 9 -13.742 9.149 -0.619 1.00 25.00 O ATOM 0 H GLU A 9 -9.976 6.841 0.678 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.156 7.044 3.427 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.065 8.546 2.945 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -10.769 8.814 1.796 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.002 7.337 0.159 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.330 7.258 1.300 1.00 25.00 H new ATOM 161 N ARG A 10 -12.358 4.892 2.419 1.00 25.00 N ATOM 162 CA ARG A 10 -13.298 3.889 2.957 1.00 25.00 C ATOM 163 C ARG A 10 -12.620 2.978 3.988 1.00 25.00 C ATOM 164 O ARG A 10 -13.213 2.589 4.987 1.00 25.00 O ATOM 165 CB ARG A 10 -13.878 3.047 1.813 1.00 25.00 C ATOM 166 CG ARG A 10 -14.996 2.099 2.250 1.00 25.00 C ATOM 167 CD ARG A 10 -15.615 1.392 1.045 1.00 25.00 C ATOM 168 NE ARG A 10 -16.673 0.445 1.440 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.956 0.748 1.625 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.421 1.966 1.485 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.788 -0.199 1.958 1.00 25.00 N ATOM 0 H ARG A 10 -12.143 4.787 1.427 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.104 4.422 3.461 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -14.261 3.714 1.041 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.076 2.464 1.361 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.600 1.360 2.946 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.765 2.659 2.783 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.030 2.135 0.364 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.837 0.858 0.499 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.398 -0.527 1.584 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.792 2.725 1.225 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.412 2.154 1.636 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.453 -1.155 2.073 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.774 0.017 2.103 1.00 25.00 H new ATOM 185 N TYR A 11 -11.360 2.664 3.741 1.00 25.00 N ATOM 186 CA TYR A 11 -10.575 1.828 4.644 1.00 25.00 C ATOM 187 C TYR A 11 -10.189 2.661 5.856 1.00 25.00 C ATOM 188 O TYR A 11 -10.321 2.222 6.997 1.00 25.00 O ATOM 189 CB TYR A 11 -9.334 1.331 3.908 1.00 25.00 C ATOM 190 CG TYR A 11 -8.329 0.602 4.762 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.585 -0.700 5.229 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.090 1.198 5.075 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.616 -1.398 5.994 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.113 0.492 5.828 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.390 -0.797 6.280 1.00 25.00 C ATOM 196 OH TYR A 11 -5.445 -1.468 7.010 1.00 25.00 O ATOM 0 H TYR A 11 -10.851 2.977 2.915 1.00 25.00 H new ATOM 0 HA TYR A 11 -11.151 0.963 4.974 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.650 0.669 3.102 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.841 2.185 3.444 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.529 -1.173 5.003 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.881 2.203 4.739 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.827 -2.394 6.355 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.161 0.952 6.049 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.376 -2.391 6.687 1.00 25.00 H new ATOM 206 N VAL A 12 -9.773 3.896 5.596 1.00 25.00 N ATOM 207 CA VAL A 12 -9.443 4.855 6.657 1.00 25.00 C ATOM 208 C VAL A 12 -10.622 5.040 7.613 1.00 25.00 C ATOM 209 O VAL A 12 -10.425 5.100 8.819 1.00 25.00 O ATOM 210 CB VAL A 12 -9.049 6.236 6.045 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.890 7.322 7.122 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.745 6.109 5.262 1.00 25.00 C ATOM 0 H VAL A 12 -9.654 4.264 4.652 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.597 4.454 7.215 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.859 6.536 5.380 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.616 8.265 6.650 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.832 7.444 7.657 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -8.110 7.027 7.824 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.479 7.078 4.839 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.951 5.774 5.929 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.873 5.385 4.458 1.00 25.00 H new ATOM 222 N GLU A 13 -11.838 5.103 7.087 1.00 25.00 N ATOM 223 CA GLU A 13 -13.036 5.285 7.896 1.00 25.00 C ATOM 224 C GLU A 13 -13.170 4.205 8.962 1.00 25.00 C ATOM 225 O GLU A 13 -13.429 4.499 10.129 1.00 25.00 O ATOM 226 CB GLU A 13 -14.264 5.260 6.980 1.00 25.00 C ATOM 227 CG GLU A 13 -15.575 5.496 7.686 1.00 25.00 C ATOM 228 CD GLU A 13 -16.152 6.857 7.374 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.898 6.983 6.387 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.832 7.817 8.115 1.00 25.00 O ATOM 0 H GLU A 13 -12.022 5.029 6.086 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.960 6.244 8.408 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.140 6.018 6.207 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.306 4.295 6.476 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -16.288 4.725 7.393 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.429 5.403 8.762 1.00 25.00 H new ATOM 237 N GLN A 14 -12.969 2.953 8.584 1.00 25.00 N ATOM 238 CA GLN A 14 -13.091 1.864 9.533 1.00 25.00 C ATOM 239 C GLN A 14 -11.888 1.924 10.490 1.00 25.00 C ATOM 240 O GLN A 14 -12.025 1.734 11.704 1.00 25.00 O ATOM 241 CB GLN A 14 -13.218 0.538 8.754 1.00 25.00 C ATOM 242 CG GLN A 14 -12.098 -0.481 8.938 1.00 25.00 C ATOM 243 CD GLN A 14 -12.039 -1.035 10.348 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.995 -1.033 10.981 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.158 -1.484 10.849 1.00 25.00 N ATOM 0 H GLN A 14 -12.723 2.669 7.636 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.988 1.943 10.148 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -14.157 0.065 9.041 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -13.291 0.774 7.692 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -12.240 -1.302 8.235 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -11.144 -0.014 8.695 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -14.010 -1.469 10.288 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -13.180 -1.850 11.801 1.00 25.00 H new ATOM 254 N LEU A 15 -10.727 2.266 9.947 1.00 25.00 N ATOM 255 CA LEU A 15 -9.496 2.364 10.724 1.00 25.00 C ATOM 256 C LEU A 15 -9.548 3.431 11.808 1.00 25.00 C ATOM 257 O LEU A 15 -8.795 3.350 12.778 1.00 25.00 O ATOM 258 CB LEU A 15 -8.290 2.584 9.821 1.00 25.00 C ATOM 259 CG LEU A 15 -7.218 1.490 9.901 1.00 25.00 C ATOM 260 CD1 LEU A 15 -7.750 0.137 9.436 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.022 1.906 9.048 1.00 25.00 C ATOM 0 H LEU A 15 -10.611 2.483 8.957 1.00 25.00 H new ATOM 0 HA LEU A 15 -9.390 1.406 11.233 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.635 2.660 8.790 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.833 3.540 10.076 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.917 1.377 10.943 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -6.959 -0.609 9.509 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -8.588 -0.160 10.066 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -8.083 0.213 8.401 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.254 1.135 9.098 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.340 2.035 8.013 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.617 2.846 9.423 1.00 25.00 H new ATOM 273 N LYS A 16 -10.412 4.433 11.655 1.00 25.00 N ATOM 274 CA LYS A 16 -10.616 5.448 12.705 1.00 25.00 C ATOM 275 C LYS A 16 -10.878 4.749 14.038 1.00 25.00 C ATOM 276 O LYS A 16 -10.423 5.208 15.085 1.00 25.00 O ATOM 277 CB LYS A 16 -11.817 6.355 12.380 1.00 25.00 C ATOM 278 CG LYS A 16 -11.626 7.281 11.175 1.00 25.00 C ATOM 279 CD LYS A 16 -12.926 8.020 10.831 1.00 25.00 C ATOM 280 CE LYS A 16 -12.753 8.894 9.581 1.00 25.00 C ATOM 281 NZ LYS A 16 -14.035 9.583 9.189 1.00 25.00 N ATOM 0 H LYS A 16 -10.983 4.570 10.821 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.718 6.063 12.761 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -12.689 5.726 12.200 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -12.039 6.965 13.256 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.839 8.004 11.390 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -11.297 6.699 10.314 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -13.725 7.298 10.665 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -13.228 8.642 11.674 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.982 9.642 9.766 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.406 8.276 8.753 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.815 10.463 8.681 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.591 8.957 8.572 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -14.585 9.805 10.043 1.00 25.00 H new ATOM 295 N GLN A 17 -11.574 3.621 13.993 1.00 25.00 N ATOM 296 CA GLN A 17 -11.811 2.833 15.195 1.00 25.00 C ATOM 297 C GLN A 17 -10.609 1.940 15.512 1.00 25.00 C ATOM 298 O GLN A 17 -10.177 1.883 16.651 1.00 25.00 O ATOM 299 CB GLN A 17 -13.060 1.960 15.038 1.00 25.00 C ATOM 300 CG GLN A 17 -14.346 2.753 14.802 1.00 25.00 C ATOM 301 CD GLN A 17 -15.581 1.865 14.765 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.553 0.721 15.193 1.00 25.00 O ATOM 303 NE2 GLN A 17 -16.665 2.394 14.264 1.00 25.00 N ATOM 0 H GLN A 17 -11.982 3.233 13.143 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.962 3.532 16.018 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.909 1.275 14.204 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.180 1.351 15.934 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.461 3.496 15.591 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.266 3.297 13.861 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.651 3.353 13.916 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -17.526 1.848 14.221 1.00 25.00 H new ATOM 312 N ALA A 18 -10.081 1.239 14.515 1.00 25.00 N ATOM 313 CA ALA A 18 -8.986 0.284 14.738 1.00 25.00 C ATOM 314 C ALA A 18 -7.710 0.907 15.339 1.00 25.00 C ATOM 315 O ALA A 18 -7.097 0.328 16.231 1.00 25.00 O ATOM 316 CB ALA A 18 -8.655 -0.437 13.434 1.00 25.00 C ATOM 0 H ALA A 18 -10.388 1.309 13.545 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.349 -0.421 15.486 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.843 -1.144 13.605 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.535 -0.974 13.082 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.350 0.291 12.683 1.00 25.00 H new ATOM 322 N LEU A 19 -7.311 2.083 14.867 1.00 25.00 N ATOM 323 CA LEU A 19 -6.122 2.744 15.419 1.00 25.00 C ATOM 324 C LEU A 19 -6.384 3.100 16.886 1.00 25.00 C ATOM 325 O LEU A 19 -5.497 2.994 17.733 1.00 25.00 O ATOM 326 CB LEU A 19 -5.767 4.020 14.627 1.00 25.00 C ATOM 327 CG LEU A 19 -4.554 3.900 13.672 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.976 3.673 12.226 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.687 5.152 13.730 1.00 25.00 C ATOM 0 H LEU A 19 -7.779 2.594 14.119 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.278 2.059 15.342 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.638 4.318 14.043 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.570 4.823 15.337 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.986 3.034 14.012 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -4.090 3.596 11.596 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.553 2.751 12.156 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.588 4.510 11.890 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.842 5.041 13.050 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.279 6.018 13.435 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.319 5.293 14.746 1.00 25.00 H new ATOM 341 N LYS A 20 -7.612 3.508 17.187 1.00 25.00 N ATOM 342 CA LYS A 20 -7.981 3.900 18.550 1.00 25.00 C ATOM 343 C LYS A 20 -8.071 2.708 19.505 1.00 25.00 C ATOM 344 O LYS A 20 -7.658 2.817 20.655 1.00 25.00 O ATOM 345 CB LYS A 20 -9.324 4.646 18.538 1.00 25.00 C ATOM 346 CG LYS A 20 -9.673 5.290 19.881 1.00 25.00 C ATOM 347 CD LYS A 20 -11.053 5.929 19.860 1.00 25.00 C ATOM 348 CE LYS A 20 -11.369 6.553 21.221 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.762 7.122 21.273 1.00 25.00 N ATOM 0 H LYS A 20 -8.371 3.577 16.509 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.188 4.553 18.915 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.295 5.419 17.770 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.115 3.950 18.261 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.634 4.536 20.667 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.927 6.045 20.127 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.096 6.692 19.083 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.805 5.180 19.612 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.256 5.799 22.000 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.647 7.342 21.434 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.934 7.534 22.212 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.863 7.860 20.547 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -13.453 6.365 21.096 1.00 25.00 H new ATOM 363 N THR A 21 -8.612 1.586 19.051 1.00 25.00 N ATOM 364 CA THR A 21 -8.808 0.422 19.927 1.00 25.00 C ATOM 365 C THR A 21 -7.497 -0.223 20.359 1.00 25.00 C ATOM 366 O THR A 21 -7.466 -0.946 21.345 1.00 25.00 O ATOM 367 CB THR A 21 -9.678 -0.670 19.258 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.181 -0.943 17.949 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.129 -0.222 19.131 1.00 25.00 C ATOM 0 H THR A 21 -8.924 1.450 18.089 1.00 25.00 H new ATOM 0 HA THR A 21 -9.317 0.819 20.805 1.00 25.00 H new ATOM 0 HB THR A 21 -9.632 -1.560 19.885 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.732 -1.635 17.528 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.713 -1.011 18.657 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.534 -0.015 20.122 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.179 0.681 18.523 1.00 25.00 H new ATOM 377 N ARG A 22 -6.399 0.086 19.676 1.00 25.00 N ATOM 378 CA ARG A 22 -5.087 -0.412 20.098 1.00 25.00 C ATOM 379 C ARG A 22 -4.631 0.310 21.371 1.00 25.00 C ATOM 380 O ARG A 22 -3.709 -0.132 22.042 1.00 25.00 O ATOM 381 CB ARG A 22 -4.054 -0.207 18.983 1.00 25.00 C ATOM 382 CG ARG A 22 -3.386 -1.498 18.458 1.00 25.00 C ATOM 383 CD ARG A 22 -2.619 -2.293 19.537 1.00 25.00 C ATOM 384 NE ARG A 22 -1.693 -1.456 20.319 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.921 -1.889 21.311 1.00 25.00 C ATOM 386 NH1 ARG A 22 -0.862 -3.140 21.671 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.184 -1.031 21.959 1.00 25.00 N ATOM 0 H ARG A 22 -6.386 0.670 18.840 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.172 -1.478 20.306 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.540 0.297 18.148 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.276 0.462 19.350 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -4.152 -2.141 18.024 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.697 -1.237 17.655 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.335 -2.762 20.212 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.058 -3.096 19.059 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.640 -0.466 20.081 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.425 -3.838 21.184 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -0.253 -3.421 22.439 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.205 -0.044 21.702 1.00 25.00 H new ATOM 0 HH22 ARG A 22 0.414 -1.347 22.723 1.00 25.00 H new ATOM 401 N GLY A 23 -5.257 1.438 21.685 1.00 25.00 N ATOM 402 CA GLY A 23 -4.956 2.141 22.924 1.00 25.00 C ATOM 403 C GLY A 23 -3.607 2.829 22.924 1.00 25.00 C ATOM 404 O GLY A 23 -3.018 3.033 23.980 1.00 25.00 O ATOM 0 H GLY A 23 -5.969 1.881 21.105 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.732 2.884 23.107 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.992 1.432 23.751 1.00 25.00 H new ATOM 408 N VAL A 24 -3.083 3.146 21.749 1.00 25.00 N ATOM 409 CA VAL A 24 -1.724 3.684 21.646 1.00 25.00 C ATOM 410 C VAL A 24 -1.687 5.002 20.864 1.00 25.00 C ATOM 411 O VAL A 24 -2.488 5.234 19.959 1.00 25.00 O ATOM 412 CB VAL A 24 -0.779 2.597 21.025 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.082 2.373 19.542 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.702 2.943 21.237 1.00 25.00 C ATOM 0 H VAL A 24 -3.569 3.043 20.858 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.364 3.924 22.646 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.977 1.663 21.551 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.409 1.614 19.144 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.113 2.040 19.428 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.940 3.306 18.997 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.324 2.166 20.793 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.923 3.900 20.764 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.911 3.009 22.305 1.00 25.00 H new ATOM 424 N LYS A 25 -0.766 5.882 21.245 1.00 25.00 N ATOM 425 CA LYS A 25 -0.613 7.188 20.597 1.00 25.00 C ATOM 426 C LYS A 25 0.196 7.036 19.303 1.00 25.00 C ATOM 427 O LYS A 25 1.405 7.245 19.286 1.00 25.00 O ATOM 428 CB LYS A 25 0.106 8.147 21.562 1.00 25.00 C ATOM 429 CG LYS A 25 0.230 9.593 21.070 1.00 25.00 C ATOM 430 CD LYS A 25 1.163 10.377 21.988 1.00 25.00 C ATOM 431 CE LYS A 25 1.378 11.801 21.487 1.00 25.00 C ATOM 432 NZ LYS A 25 2.386 12.526 22.343 1.00 25.00 N ATOM 0 H LYS A 25 -0.107 5.715 22.006 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.594 7.592 20.349 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.427 8.148 22.513 1.00 25.00 H new ATOM 0 HB3 LYS A 25 1.106 7.759 21.757 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.613 9.607 20.050 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.753 10.064 21.048 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.746 10.404 22.995 1.00 25.00 H new ATOM 0 HD3 LYS A 25 2.123 9.865 22.055 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.722 11.779 20.453 1.00 25.00 H new ATOM 0 HE3 LYS A 25 0.431 12.341 21.497 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 2.516 13.493 21.983 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 2.044 12.565 23.324 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 3.294 12.021 22.313 1.00 25.00 H new ATOM 446 N VAL A 26 -0.488 6.691 18.224 1.00 25.00 N ATOM 447 CA VAL A 26 0.131 6.537 16.904 1.00 25.00 C ATOM 448 C VAL A 26 -0.814 7.213 15.911 1.00 25.00 C ATOM 449 O VAL A 26 -2.026 7.042 15.997 1.00 25.00 O ATOM 450 CB VAL A 26 0.331 5.016 16.555 1.00 25.00 C ATOM 451 CG1 VAL A 26 0.827 4.824 15.132 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.352 4.373 17.512 1.00 25.00 C ATOM 0 H VAL A 26 -1.491 6.508 18.232 1.00 25.00 H new ATOM 0 HA VAL A 26 1.121 6.992 16.873 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.643 4.538 16.661 1.00 25.00 H new ATOM 0 HG11 VAL A 26 0.952 3.760 14.931 1.00 25.00 H new ATOM 0 HG12 VAL A 26 0.102 5.242 14.434 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.784 5.332 15.009 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.478 3.321 17.256 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.309 4.886 17.421 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.992 4.456 18.537 1.00 25.00 H new ATOM 462 N LYS A 27 -0.279 8.019 15.004 1.00 25.00 N ATOM 463 CA LYS A 27 -1.099 8.702 13.997 1.00 25.00 C ATOM 464 C LYS A 27 -1.251 7.773 12.797 1.00 25.00 C ATOM 465 O LYS A 27 -0.448 6.874 12.611 1.00 25.00 O ATOM 466 CB LYS A 27 -0.391 9.991 13.565 1.00 25.00 C ATOM 467 CG LYS A 27 -1.300 11.106 13.052 1.00 25.00 C ATOM 468 CD LYS A 27 -0.484 12.242 12.404 1.00 25.00 C ATOM 469 CE LYS A 27 0.504 12.921 13.376 1.00 25.00 C ATOM 470 NZ LYS A 27 -0.186 13.561 14.551 1.00 25.00 N ATOM 0 H LYS A 27 0.719 8.220 14.940 1.00 25.00 H new ATOM 0 HA LYS A 27 -2.079 8.951 14.404 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.178 10.373 14.413 1.00 25.00 H new ATOM 0 HB3 LYS A 27 0.328 9.745 12.783 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -2.002 10.699 12.324 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.891 11.505 13.877 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.071 11.842 11.555 1.00 25.00 H new ATOM 0 HD3 LYS A 27 -1.170 12.993 12.012 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.218 12.181 13.738 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.074 13.678 12.838 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.521 14.017 15.163 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -0.861 14.275 14.210 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -0.695 12.834 15.093 1.00 25.00 H new ATOM 484 N PHE A 28 -2.216 8.043 11.930 1.00 25.00 N ATOM 485 CA PHE A 28 -2.359 7.275 10.689 1.00 25.00 C ATOM 486 C PHE A 28 -1.097 7.357 9.852 1.00 25.00 C ATOM 487 O PHE A 28 -0.649 6.363 9.308 1.00 25.00 O ATOM 488 CB PHE A 28 -3.496 7.847 9.844 1.00 25.00 C ATOM 489 CG PHE A 28 -4.836 7.264 10.146 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.580 7.686 11.267 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.384 6.300 9.285 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.866 7.150 11.517 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.656 5.766 9.522 1.00 25.00 C ATOM 494 CZ PHE A 28 -7.405 6.193 10.637 1.00 25.00 C ATOM 0 H PHE A 28 -2.909 8.781 12.056 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.560 6.241 10.970 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.539 8.926 9.995 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.269 7.682 8.791 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -5.166 8.423 11.939 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.817 5.966 8.429 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.431 7.474 12.379 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.064 5.026 8.850 1.00 25.00 H new ATOM 0 HZ PHE A 28 -8.390 5.787 10.816 1.00 25.00 H new ATOM 504 N ALA A 29 -0.525 8.548 9.760 1.00 25.00 N ATOM 505 CA ALA A 29 0.683 8.754 8.970 1.00 25.00 C ATOM 506 C ALA A 29 1.805 7.864 9.492 1.00 25.00 C ATOM 507 O ALA A 29 2.584 7.310 8.726 1.00 25.00 O ATOM 508 CB ALA A 29 1.106 10.222 9.048 1.00 25.00 C ATOM 0 H ALA A 29 -0.876 9.387 10.222 1.00 25.00 H new ATOM 0 HA ALA A 29 0.479 8.494 7.931 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.009 10.372 8.456 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.307 10.852 8.657 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.304 10.489 10.086 1.00 25.00 H new ATOM 514 N ASP A 30 1.877 7.759 10.807 1.00 25.00 N ATOM 515 CA ASP A 30 2.945 7.031 11.464 1.00 25.00 C ATOM 516 C ASP A 30 2.739 5.545 11.203 1.00 25.00 C ATOM 517 O ASP A 30 3.667 4.830 10.853 1.00 25.00 O ATOM 518 CB ASP A 30 2.924 7.267 12.986 1.00 25.00 C ATOM 519 CG ASP A 30 2.848 8.746 13.381 1.00 25.00 C ATOM 520 OD1 ASP A 30 3.053 9.655 12.546 1.00 25.00 O ATOM 521 OD2 ASP A 30 2.442 8.986 14.541 1.00 25.00 O ATOM 0 H ASP A 30 1.199 8.174 11.446 1.00 25.00 H new ATOM 0 HA ASP A 30 3.901 7.377 11.071 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.070 6.742 13.414 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.820 6.829 13.425 1.00 25.00 H new ATOM 526 N LEU A 31 1.506 5.080 11.381 1.00 25.00 N ATOM 527 CA LEU A 31 1.214 3.658 11.245 1.00 25.00 C ATOM 528 C LEU A 31 1.362 3.174 9.816 1.00 25.00 C ATOM 529 O LEU A 31 2.069 2.206 9.537 1.00 25.00 O ATOM 530 CB LEU A 31 -0.199 3.323 11.744 1.00 25.00 C ATOM 531 CG LEU A 31 -0.548 1.821 11.658 1.00 25.00 C ATOM 532 CD1 LEU A 31 0.461 0.966 12.415 1.00 25.00 C ATOM 533 CD2 LEU A 31 -1.931 1.558 12.203 1.00 25.00 C ATOM 0 H LEU A 31 0.701 5.660 11.617 1.00 25.00 H new ATOM 0 HA LEU A 31 1.948 3.142 11.864 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.296 3.651 12.779 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.925 3.890 11.160 1.00 25.00 H new ATOM 0 HG LEU A 31 -0.516 1.547 10.603 1.00 25.00 H new ATOM 0 HD11 LEU A 31 0.183 -0.085 12.332 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.454 1.113 11.990 1.00 25.00 H new ATOM 0 HD13 LEU A 31 0.469 1.257 13.465 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -2.154 0.493 12.132 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -1.976 1.869 13.247 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -2.663 2.121 11.625 1.00 25.00 H new ATOM 545 N LEU A 32 0.675 3.836 8.903 1.00 25.00 N ATOM 546 CA LEU A 32 0.693 3.412 7.506 1.00 25.00 C ATOM 547 C LEU A 32 2.065 3.584 6.864 1.00 25.00 C ATOM 548 O LEU A 32 2.378 2.908 5.893 1.00 25.00 O ATOM 549 CB LEU A 32 -0.377 4.134 6.682 1.00 25.00 C ATOM 550 CG LEU A 32 -1.823 3.592 6.766 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.917 2.095 6.518 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.451 3.909 8.098 1.00 25.00 C ATOM 0 H LEU A 32 0.104 4.659 9.095 1.00 25.00 H new ATOM 0 HA LEU A 32 0.463 2.347 7.509 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.390 5.180 6.989 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.069 4.113 5.637 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.368 4.098 5.969 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.958 1.779 6.591 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.538 1.867 5.522 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.323 1.565 7.263 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.467 3.514 8.124 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.864 3.453 8.895 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.478 4.989 8.240 1.00 25.00 H new ATOM 564 N LYS A 33 2.922 4.418 7.430 1.00 25.00 N ATOM 565 CA LYS A 33 4.310 4.482 6.938 1.00 25.00 C ATOM 566 C LYS A 33 4.950 3.096 7.071 1.00 25.00 C ATOM 567 O LYS A 33 5.639 2.634 6.158 1.00 25.00 O ATOM 568 CB LYS A 33 5.137 5.545 7.693 1.00 25.00 C ATOM 569 CG LYS A 33 6.682 5.341 7.664 1.00 25.00 C ATOM 570 CD LYS A 33 7.291 5.331 6.238 1.00 25.00 C ATOM 571 CE LYS A 33 8.420 4.286 6.139 1.00 25.00 C ATOM 572 NZ LYS A 33 8.647 3.822 4.718 1.00 25.00 N ATOM 0 H LYS A 33 2.704 5.045 8.205 1.00 25.00 H new ATOM 0 HA LYS A 33 4.297 4.781 5.890 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.910 6.524 7.271 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.810 5.563 8.733 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.154 6.134 8.244 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.923 4.399 8.157 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.515 5.106 5.506 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.681 6.320 5.996 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.343 4.713 6.532 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.174 3.428 6.765 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 9.415 3.121 4.700 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.775 3.391 4.350 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.908 4.635 4.125 1.00 25.00 H new ATOM 586 N PHE A 34 4.704 2.413 8.174 1.00 25.00 N ATOM 587 CA PHE A 34 5.274 1.083 8.361 1.00 25.00 C ATOM 588 C PHE A 34 4.568 0.030 7.516 1.00 25.00 C ATOM 589 O PHE A 34 5.198 -0.924 7.102 1.00 25.00 O ATOM 590 CB PHE A 34 5.289 0.706 9.836 1.00 25.00 C ATOM 591 CG PHE A 34 6.387 1.392 10.596 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.656 0.792 10.710 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.177 2.655 11.169 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.709 1.455 11.389 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.219 3.331 11.841 1.00 25.00 C ATOM 596 CZ PHE A 34 8.486 2.729 11.953 1.00 25.00 C ATOM 0 H PHE A 34 4.124 2.746 8.944 1.00 25.00 H new ATOM 0 HA PHE A 34 6.306 1.116 8.011 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.328 0.962 10.282 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.407 -0.374 9.930 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.828 -0.182 10.276 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.204 3.117 11.095 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.678 0.987 11.474 1.00 25.00 H new ATOM 0 HE2 PHE A 34 7.044 4.307 12.268 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.285 3.240 12.469 1.00 25.00 H new ATOM 606 N PHE A 35 3.308 0.250 7.163 1.00 25.00 N ATOM 607 CA PHE A 35 2.621 -0.650 6.220 1.00 25.00 C ATOM 608 C PHE A 35 3.327 -0.547 4.864 1.00 25.00 C ATOM 609 O PHE A 35 3.490 -1.530 4.157 1.00 25.00 O ATOM 610 CB PHE A 35 1.151 -0.252 6.018 1.00 25.00 C ATOM 611 CG PHE A 35 0.205 -0.754 7.083 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.494 -0.634 8.457 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.024 -1.328 6.699 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.424 -1.093 9.429 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.951 -1.778 7.668 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.644 -1.664 9.035 1.00 25.00 C ATOM 0 H PHE A 35 2.742 1.027 7.503 1.00 25.00 H new ATOM 0 HA PHE A 35 2.653 -1.661 6.626 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.086 0.835 5.978 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.818 -0.627 5.050 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.426 -0.187 8.770 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.261 -1.426 5.650 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.186 -1.004 10.479 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.892 -2.208 7.358 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.344 -2.014 9.779 1.00 25.00 H new ATOM 626 N ASP A 36 3.745 0.659 4.506 1.00 25.00 N ATOM 627 CA ASP A 36 4.420 0.898 3.227 1.00 25.00 C ATOM 628 C ASP A 36 5.800 0.245 3.200 1.00 25.00 C ATOM 629 O ASP A 36 6.239 -0.251 2.177 1.00 25.00 O ATOM 630 CB ASP A 36 4.552 2.406 2.995 1.00 25.00 C ATOM 631 CG ASP A 36 4.506 2.781 1.528 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.382 2.939 1.006 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.565 3.048 0.929 1.00 25.00 O ATOM 0 H ASP A 36 3.630 1.493 5.082 1.00 25.00 H new ATOM 0 HA ASP A 36 3.822 0.453 2.432 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.749 2.922 3.522 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.491 2.754 3.425 1.00 25.00 H new ATOM 638 N PHE A 37 6.456 0.224 4.352 1.00 25.00 N ATOM 639 CA PHE A 37 7.791 -0.366 4.486 1.00 25.00 C ATOM 640 C PHE A 37 7.790 -1.871 4.222 1.00 25.00 C ATOM 641 O PHE A 37 8.723 -2.389 3.620 1.00 25.00 O ATOM 642 CB PHE A 37 8.318 -0.083 5.901 1.00 25.00 C ATOM 643 CG PHE A 37 9.702 -0.623 6.163 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.841 0.024 5.642 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.876 -1.782 6.947 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.144 -0.479 5.903 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.174 -2.290 7.216 1.00 25.00 C ATOM 648 CZ PHE A 37 12.308 -1.637 6.693 1.00 25.00 C ATOM 0 H PHE A 37 6.085 0.612 5.219 1.00 25.00 H new ATOM 0 HA PHE A 37 8.439 0.088 3.737 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.323 0.994 6.066 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.628 -0.514 6.627 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.722 0.911 5.038 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.011 -2.290 7.348 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.009 0.025 5.497 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.292 -3.177 7.821 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.297 -2.021 6.896 1.00 25.00 H new ATOM 658 N VAL A 38 6.746 -2.577 4.642 1.00 25.00 N ATOM 659 CA VAL A 38 6.712 -4.030 4.432 1.00 25.00 C ATOM 660 C VAL A 38 6.633 -4.367 2.965 1.00 25.00 C ATOM 661 O VAL A 38 7.086 -5.421 2.558 1.00 25.00 O ATOM 662 CB VAL A 38 5.535 -4.762 5.181 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.013 -3.925 6.302 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.351 -5.146 4.253 1.00 25.00 C ATOM 0 H VAL A 38 5.932 -2.187 5.117 1.00 25.00 H new ATOM 0 HA VAL A 38 7.647 -4.393 4.859 1.00 25.00 H new ATOM 0 HB VAL A 38 5.969 -5.686 5.564 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.201 -4.453 6.803 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.814 -3.731 7.015 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.642 -2.979 5.908 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.578 -5.646 4.837 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.937 -4.245 3.799 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.705 -5.817 3.470 1.00 25.00 H new ATOM 674 N LYS A 39 6.044 -3.486 2.168 1.00 25.00 N ATOM 675 CA LYS A 39 5.848 -3.801 0.761 1.00 25.00 C ATOM 676 C LYS A 39 7.199 -3.941 0.083 1.00 25.00 C ATOM 677 O LYS A 39 7.412 -4.830 -0.729 1.00 25.00 O ATOM 678 CB LYS A 39 5.029 -2.725 0.035 1.00 25.00 C ATOM 679 CG LYS A 39 4.562 -3.201 -1.344 1.00 25.00 C ATOM 680 CD LYS A 39 3.950 -2.099 -2.198 1.00 25.00 C ATOM 681 CE LYS A 39 3.403 -2.701 -3.504 1.00 25.00 C ATOM 682 NZ LYS A 39 2.832 -1.666 -4.443 1.00 25.00 N ATOM 0 H LYS A 39 5.702 -2.571 2.461 1.00 25.00 H new ATOM 0 HA LYS A 39 5.291 -4.737 0.707 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.163 -2.457 0.640 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.631 -1.823 -0.076 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.410 -3.632 -1.876 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.829 -3.997 -1.215 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.148 -1.604 -1.650 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.700 -1.340 -2.422 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.203 -3.240 -4.011 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.630 -3.431 -3.264 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 2.480 -2.134 -5.303 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 2.048 -1.167 -3.975 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 3.573 -0.983 -4.699 1.00 25.00 H new ATOM 696 N ASP A 40 8.100 -3.042 0.441 1.00 25.00 N ATOM 697 CA ASP A 40 9.432 -2.994 -0.147 1.00 25.00 C ATOM 698 C ASP A 40 10.228 -4.256 0.218 1.00 25.00 C ATOM 699 O ASP A 40 10.888 -4.846 -0.629 1.00 25.00 O ATOM 700 CB ASP A 40 10.170 -1.734 0.347 1.00 25.00 C ATOM 701 CG ASP A 40 9.660 -0.436 -0.319 1.00 25.00 C ATOM 702 OD1 ASP A 40 8.510 -0.395 -0.827 1.00 25.00 O ATOM 703 OD2 ASP A 40 10.411 0.564 -0.293 1.00 25.00 O ATOM 0 H ASP A 40 7.931 -2.325 1.146 1.00 25.00 H new ATOM 0 HA ASP A 40 9.339 -2.952 -1.232 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.053 -1.652 1.428 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.236 -1.843 0.149 1.00 25.00 H new ATOM 708 N THR A 41 10.159 -4.674 1.477 1.00 25.00 N ATOM 709 CA THR A 41 10.901 -5.861 1.931 1.00 25.00 C ATOM 710 C THR A 41 10.232 -7.176 1.519 1.00 25.00 C ATOM 711 O THR A 41 10.886 -8.199 1.348 1.00 25.00 O ATOM 712 CB THR A 41 11.022 -5.864 3.468 1.00 25.00 C ATOM 713 OG1 THR A 41 11.091 -4.515 3.939 1.00 25.00 O ATOM 714 CG2 THR A 41 12.272 -6.589 3.918 1.00 25.00 C ATOM 0 H THR A 41 9.604 -4.218 2.201 1.00 25.00 H new ATOM 0 HA THR A 41 11.880 -5.800 1.455 1.00 25.00 H new ATOM 0 HB THR A 41 10.149 -6.375 3.874 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.325 -4.512 4.891 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.329 -6.574 5.006 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.239 -7.622 3.570 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.149 -6.094 3.502 1.00 25.00 H new ATOM 722 N CYS A 42 8.916 -7.148 1.402 1.00 25.00 N ATOM 723 CA CYS A 42 8.126 -8.329 1.060 1.00 25.00 C ATOM 724 C CYS A 42 7.194 -8.053 -0.120 1.00 25.00 C ATOM 725 O CYS A 42 5.984 -7.899 0.070 1.00 25.00 O ATOM 726 CB CYS A 42 7.280 -8.752 2.264 1.00 25.00 C ATOM 727 SG CYS A 42 8.258 -9.289 3.668 1.00 25.00 S ATOM 0 H CYS A 42 8.359 -6.305 1.541 1.00 25.00 H new ATOM 0 HA CYS A 42 8.819 -9.123 0.783 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.650 -7.916 2.568 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.613 -9.561 1.964 1.00 25.00 H new ATOM 0 HG CYS A 42 9.377 -9.801 3.247 1.00 25.00 H new ATOM 733 N PRO A 43 7.725 -8.038 -1.355 1.00 25.00 N ATOM 734 CA PRO A 43 6.855 -7.764 -2.508 1.00 25.00 C ATOM 735 C PRO A 43 5.906 -8.923 -2.810 1.00 25.00 C ATOM 736 O PRO A 43 4.873 -8.754 -3.446 1.00 25.00 O ATOM 737 CB PRO A 43 7.856 -7.543 -3.643 1.00 25.00 C ATOM 738 CG PRO A 43 9.019 -8.398 -3.272 1.00 25.00 C ATOM 739 CD PRO A 43 9.122 -8.275 -1.771 1.00 25.00 C ATOM 0 HA PRO A 43 6.192 -6.915 -2.343 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.438 -7.835 -4.606 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.142 -6.494 -3.724 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.862 -9.433 -3.575 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.932 -8.058 -3.761 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.528 -9.180 -1.320 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.774 -7.452 -1.478 1.00 25.00 H new ATOM 747 N TRP A 44 6.242 -10.093 -2.295 1.00 25.00 N ATOM 748 CA TRP A 44 5.409 -11.278 -2.440 1.00 25.00 C ATOM 749 C TRP A 44 4.186 -11.246 -1.520 1.00 25.00 C ATOM 750 O TRP A 44 3.227 -11.974 -1.737 1.00 25.00 O ATOM 751 CB TRP A 44 6.254 -12.514 -2.148 1.00 25.00 C ATOM 752 CG TRP A 44 7.303 -12.243 -1.117 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.106 -11.992 0.190 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.729 -12.166 -1.314 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.282 -11.775 0.849 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.309 -11.865 -0.046 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.574 -12.303 -2.433 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.696 -11.700 0.128 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.974 -12.141 -2.261 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.517 -11.839 -0.977 1.00 25.00 C ATOM 0 H TRP A 44 7.099 -10.250 -1.765 1.00 25.00 H new ATOM 0 HA TRP A 44 5.034 -11.306 -3.463 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.608 -13.322 -1.805 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.729 -12.854 -3.068 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.135 -11.965 0.661 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.377 -11.578 1.845 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.163 -12.528 -3.406 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.109 -11.471 1.099 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.633 -12.247 -3.110 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.584 -11.717 -0.866 1.00 25.00 H new ATOM 771 N PHE A 45 4.192 -10.396 -0.499 1.00 25.00 N ATOM 772 CA PHE A 45 3.037 -10.322 0.401 1.00 25.00 C ATOM 773 C PHE A 45 1.807 -9.721 -0.312 1.00 25.00 C ATOM 774 O PHE A 45 0.750 -10.355 -0.336 1.00 25.00 O ATOM 775 CB PHE A 45 3.372 -9.554 1.690 1.00 25.00 C ATOM 776 CG PHE A 45 2.264 -9.587 2.712 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.213 -8.652 2.656 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.252 -10.567 3.725 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.158 -8.691 3.596 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.202 -10.607 4.683 1.00 25.00 C ATOM 781 CZ PHE A 45 0.155 -9.664 4.613 1.00 25.00 C ATOM 0 H PHE A 45 4.959 -9.763 -0.274 1.00 25.00 H new ATOM 0 HA PHE A 45 2.783 -11.342 0.690 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.275 -9.975 2.131 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.594 -8.517 1.439 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.213 -7.895 1.885 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.048 -11.295 3.774 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.647 -7.973 3.534 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.206 -11.356 5.461 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.646 -9.689 5.337 1.00 25.00 H new ATOM 791 N PRO A 46 1.928 -8.525 -0.943 1.00 25.00 N ATOM 792 CA PRO A 46 0.715 -8.102 -1.653 1.00 25.00 C ATOM 793 C PRO A 46 0.419 -8.918 -2.908 1.00 25.00 C ATOM 794 O PRO A 46 -0.708 -8.935 -3.367 1.00 25.00 O ATOM 795 CB PRO A 46 1.028 -6.650 -2.017 1.00 25.00 C ATOM 796 CG PRO A 46 2.478 -6.638 -2.204 1.00 25.00 C ATOM 797 CD PRO A 46 2.991 -7.508 -1.089 1.00 25.00 C ATOM 0 HA PRO A 46 -0.176 -8.237 -1.039 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.506 -6.344 -2.924 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.722 -5.965 -1.226 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.759 -7.032 -3.181 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.881 -5.627 -2.141 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.951 -7.961 -1.339 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.136 -6.941 -0.169 1.00 25.00 H new ATOM 805 N GLN A 47 1.424 -9.606 -3.438 1.00 25.00 N ATOM 806 CA GLN A 47 1.245 -10.452 -4.615 1.00 25.00 C ATOM 807 C GLN A 47 0.313 -11.623 -4.295 1.00 25.00 C ATOM 808 O GLN A 47 -0.542 -11.981 -5.094 1.00 25.00 O ATOM 809 CB GLN A 47 2.611 -10.969 -5.067 1.00 25.00 C ATOM 810 CG GLN A 47 2.608 -11.701 -6.392 1.00 25.00 C ATOM 811 CD GLN A 47 4.009 -12.075 -6.828 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.837 -12.478 -6.025 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.286 -11.920 -8.096 1.00 25.00 N ATOM 0 H GLN A 47 2.375 -9.595 -3.070 1.00 25.00 H new ATOM 0 HA GLN A 47 0.792 -9.868 -5.416 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.298 -10.126 -5.136 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.002 -11.637 -4.300 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.000 -12.602 -6.309 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.145 -11.073 -7.154 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.569 -11.581 -8.737 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.220 -12.138 -8.444 1.00 25.00 H new ATOM 822 N GLU A 48 0.468 -12.197 -3.109 1.00 25.00 N ATOM 823 CA GLU A 48 -0.405 -13.284 -2.659 1.00 25.00 C ATOM 824 C GLU A 48 -1.763 -12.717 -2.237 1.00 25.00 C ATOM 825 O GLU A 48 -2.787 -13.398 -2.289 1.00 25.00 O ATOM 826 CB GLU A 48 0.241 -14.005 -1.473 1.00 25.00 C ATOM 827 CG GLU A 48 1.415 -14.907 -1.867 1.00 25.00 C ATOM 828 CD GLU A 48 0.993 -16.362 -2.042 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.091 -16.641 -2.849 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.500 -17.219 -1.277 1.00 25.00 O ATOM 0 H GLU A 48 1.189 -11.931 -2.438 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.549 -13.990 -3.477 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.589 -13.263 -0.754 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.515 -14.607 -0.969 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.853 -14.544 -2.796 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.190 -14.845 -1.103 1.00 25.00 H new ATOM 837 N GLY A 49 -1.756 -11.465 -1.793 1.00 25.00 N ATOM 838 CA GLY A 49 -2.980 -10.759 -1.433 1.00 25.00 C ATOM 839 C GLY A 49 -3.725 -11.292 -0.220 1.00 25.00 C ATOM 840 O GLY A 49 -4.776 -10.776 0.130 1.00 25.00 O ATOM 0 H GLY A 49 -0.906 -10.913 -1.673 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.733 -9.713 -1.252 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.655 -10.783 -2.289 1.00 25.00 H new ATOM 844 N THR A 50 -3.201 -12.334 0.403 1.00 25.00 N ATOM 845 CA THR A 50 -3.865 -12.997 1.525 1.00 25.00 C ATOM 846 C THR A 50 -3.205 -12.568 2.818 1.00 25.00 C ATOM 847 O THR A 50 -1.974 -12.521 2.916 1.00 25.00 O ATOM 848 CB THR A 50 -3.767 -14.526 1.388 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.326 -14.926 0.133 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.525 -15.249 2.516 1.00 25.00 C ATOM 0 H THR A 50 -2.304 -12.748 0.149 1.00 25.00 H new ATOM 0 HA THR A 50 -4.917 -12.713 1.527 1.00 25.00 H new ATOM 0 HB THR A 50 -2.713 -14.798 1.449 1.00 25.00 H new ATOM 0 HG1 THR A 50 -4.263 -15.900 0.042 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.432 -16.327 2.384 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.102 -14.964 3.479 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.578 -14.969 2.484 1.00 25.00 H new ATOM 858 N ILE A 51 -4.016 -12.231 3.806 1.00 25.00 N ATOM 859 CA ILE A 51 -3.521 -11.688 5.059 1.00 25.00 C ATOM 860 C ILE A 51 -3.834 -12.659 6.193 1.00 25.00 C ATOM 861 O ILE A 51 -4.815 -12.557 6.929 1.00 25.00 O ATOM 862 CB ILE A 51 -4.069 -10.262 5.264 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.605 -9.391 4.077 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.568 -9.644 6.586 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.166 -8.036 4.050 1.00 25.00 C ATOM 0 H ILE A 51 -5.031 -12.325 3.763 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.436 -11.585 5.042 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.157 -10.306 5.314 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.518 -9.318 4.102 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.870 -9.897 3.148 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.975 -8.639 6.695 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.895 -10.261 7.423 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.479 -9.595 6.575 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.783 -7.501 3.181 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.253 -8.093 3.990 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.880 -7.506 4.958 1.00 25.00 H new ATOM 877 N ASP A 52 -2.934 -13.615 6.312 1.00 25.00 N ATOM 878 CA ASP A 52 -2.957 -14.603 7.382 1.00 25.00 C ATOM 879 C ASP A 52 -1.927 -14.124 8.369 1.00 25.00 C ATOM 880 O ASP A 52 -0.900 -13.570 7.971 1.00 25.00 O ATOM 881 CB ASP A 52 -2.451 -15.970 6.917 1.00 25.00 C ATOM 882 CG ASP A 52 -3.477 -16.782 6.181 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.358 -17.334 6.874 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.224 -17.119 5.005 1.00 25.00 O ATOM 0 H ASP A 52 -2.156 -13.732 5.663 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.974 -14.705 7.760 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -1.585 -15.825 6.271 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.110 -16.534 7.785 1.00 25.00 H new ATOM 889 N ILE A 53 -2.085 -14.485 9.631 1.00 25.00 N ATOM 890 CA ILE A 53 -1.021 -14.220 10.597 1.00 25.00 C ATOM 891 C ILE A 53 0.164 -15.101 10.218 1.00 25.00 C ATOM 892 O ILE A 53 1.303 -14.746 10.436 1.00 25.00 O ATOM 893 CB ILE A 53 -1.450 -14.473 12.082 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.359 -13.981 13.050 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.692 -15.974 12.373 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.141 -12.501 13.068 1.00 25.00 C ATOM 0 H ILE A 53 -2.912 -14.949 10.008 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.763 -13.162 10.553 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.380 -13.923 12.230 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.617 -14.306 14.058 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.581 -14.467 12.789 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.987 -16.100 13.415 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.484 -16.347 11.724 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.775 -16.533 12.186 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.647 -12.258 13.781 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.153 -12.164 12.074 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.064 -12.001 13.362 1.00 25.00 H new ATOM 908 N LYS A 54 -0.122 -16.236 9.595 1.00 25.00 N ATOM 909 CA LYS A 54 0.908 -17.188 9.181 1.00 25.00 C ATOM 910 C LYS A 54 1.837 -16.551 8.151 1.00 25.00 C ATOM 911 O LYS A 54 3.039 -16.765 8.165 1.00 25.00 O ATOM 912 CB LYS A 54 0.245 -18.418 8.537 1.00 25.00 C ATOM 913 CG LYS A 54 -0.864 -19.080 9.370 1.00 25.00 C ATOM 914 CD LYS A 54 -1.719 -19.983 8.476 1.00 25.00 C ATOM 915 CE LYS A 54 -2.963 -20.487 9.209 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.904 -21.182 8.258 1.00 25.00 N ATOM 0 H LYS A 54 -1.072 -16.525 9.361 1.00 25.00 H new ATOM 0 HA LYS A 54 1.480 -17.480 10.062 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.174 -18.122 7.575 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.016 -19.161 8.334 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.424 -19.665 10.178 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.488 -18.316 9.833 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.019 -19.433 7.584 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.124 -20.833 8.141 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.669 -21.174 10.003 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -3.474 -19.650 9.685 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.740 -21.515 8.779 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.201 -20.517 7.515 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.421 -21.994 7.823 1.00 25.00 H new ATOM 930 N ARG A 55 1.263 -15.752 7.264 1.00 25.00 N ATOM 931 CA ARG A 55 2.036 -15.061 6.232 1.00 25.00 C ATOM 932 C ARG A 55 2.726 -13.867 6.853 1.00 25.00 C ATOM 933 O ARG A 55 3.858 -13.553 6.521 1.00 25.00 O ATOM 934 CB ARG A 55 1.114 -14.617 5.100 1.00 25.00 C ATOM 935 CG ARG A 55 0.509 -15.790 4.342 1.00 25.00 C ATOM 936 CD ARG A 55 -0.629 -15.332 3.468 1.00 25.00 C ATOM 937 NE ARG A 55 -1.318 -16.463 2.828 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.966 -17.014 1.670 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.085 -16.615 1.014 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.683 -17.977 1.169 1.00 25.00 N ATOM 0 H ARG A 55 0.261 -15.563 7.235 1.00 25.00 H new ATOM 0 HA ARG A 55 2.786 -15.735 5.817 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.313 -14.002 5.509 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.674 -13.990 4.405 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.274 -16.267 3.730 1.00 25.00 H new ATOM 0 HG3 ARG A 55 0.152 -16.540 5.048 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.341 -14.765 4.067 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.249 -14.657 2.701 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.128 -16.855 3.309 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.663 -15.861 1.386 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.331 -17.056 0.128 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.512 -18.307 1.664 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.417 -18.402 0.281 1.00 25.00 H new ATOM 954 N TRP A 56 2.058 -13.245 7.811 1.00 25.00 N ATOM 955 CA TRP A 56 2.635 -12.130 8.551 1.00 25.00 C ATOM 956 C TRP A 56 3.881 -12.564 9.326 1.00 25.00 C ATOM 957 O TRP A 56 4.802 -11.773 9.500 1.00 25.00 O ATOM 958 CB TRP A 56 1.594 -11.539 9.499 1.00 25.00 C ATOM 959 CG TRP A 56 1.993 -10.215 10.054 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.253 -9.906 11.347 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.201 -8.993 9.321 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.593 -8.593 11.492 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.578 -7.995 10.266 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.115 -8.639 7.960 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.877 -6.674 9.888 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.418 -7.314 7.577 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.789 -6.342 8.551 1.00 25.00 C ATOM 0 H TRP A 56 1.111 -13.494 8.097 1.00 25.00 H new ATOM 0 HA TRP A 56 2.939 -11.366 7.836 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.647 -11.434 8.969 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.424 -12.234 10.321 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.198 -10.612 12.162 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.821 -8.133 12.373 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.822 -9.370 7.221 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.168 -5.939 10.624 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.368 -7.034 6.535 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.004 -5.331 8.239 1.00 25.00 H new ATOM 978 N ARG A 57 3.945 -13.835 9.728 1.00 25.00 N ATOM 979 CA ARG A 57 5.148 -14.365 10.399 1.00 25.00 C ATOM 980 C ARG A 57 6.357 -14.134 9.497 1.00 25.00 C ATOM 981 O ARG A 57 7.372 -13.619 9.932 1.00 25.00 O ATOM 982 CB ARG A 57 5.064 -15.881 10.713 1.00 25.00 C ATOM 983 CG ARG A 57 3.807 -16.397 11.451 1.00 25.00 C ATOM 984 CD ARG A 57 3.457 -15.591 12.689 1.00 25.00 C ATOM 985 NE ARG A 57 2.376 -16.162 13.516 1.00 25.00 N ATOM 986 CZ ARG A 57 2.527 -17.053 14.492 1.00 25.00 C ATOM 987 NH1 ARG A 57 3.689 -17.588 14.784 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.486 -17.396 15.202 1.00 25.00 N ATOM 0 H ARG A 57 3.193 -14.513 9.606 1.00 25.00 H new ATOM 0 HA ARG A 57 5.235 -13.838 11.349 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.145 -16.423 9.771 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.936 -16.148 11.310 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.960 -16.380 10.765 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.965 -17.437 11.737 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.351 -15.490 13.304 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.167 -14.586 12.381 1.00 25.00 H new ATOM 0 HE ARG A 57 1.426 -15.844 13.321 1.00 25.00 H new ATOM 0 HH11 ARG A 57 4.520 -17.324 14.254 1.00 25.00 H new ATOM 0 HH12 ARG A 57 3.762 -18.268 15.541 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.575 -16.982 15.004 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.584 -18.078 15.954 1.00 25.00 H new ATOM 1002 N ARG A 58 6.210 -14.475 8.222 1.00 25.00 N ATOM 1003 CA ARG A 58 7.303 -14.348 7.256 1.00 25.00 C ATOM 1004 C ARG A 58 7.707 -12.918 6.953 1.00 25.00 C ATOM 1005 O ARG A 58 8.823 -12.680 6.536 1.00 25.00 O ATOM 1006 CB ARG A 58 6.968 -15.070 5.954 1.00 25.00 C ATOM 1007 CG ARG A 58 6.858 -16.579 6.139 1.00 25.00 C ATOM 1008 CD ARG A 58 6.985 -17.335 4.810 1.00 25.00 C ATOM 1009 NE ARG A 58 8.301 -17.123 4.173 1.00 25.00 N ATOM 1010 CZ ARG A 58 9.436 -17.728 4.515 1.00 25.00 C ATOM 1011 NH1 ARG A 58 9.509 -18.601 5.490 1.00 25.00 N ATOM 1012 NH2 ARG A 58 10.527 -17.439 3.862 1.00 25.00 N ATOM 0 H ARG A 58 5.344 -14.843 7.829 1.00 25.00 H new ATOM 0 HA ARG A 58 8.161 -14.818 7.738 1.00 25.00 H new ATOM 0 HB2 ARG A 58 6.027 -14.685 5.560 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.737 -14.852 5.213 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.636 -16.917 6.824 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.900 -16.818 6.601 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.834 -18.400 4.984 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.197 -17.008 4.131 1.00 25.00 H new ATOM 0 HE ARG A 58 8.343 -16.454 3.404 1.00 25.00 H new ATOM 0 HH11 ARG A 58 8.673 -18.842 6.022 1.00 25.00 H new ATOM 0 HH12 ARG A 58 10.402 -19.039 5.716 1.00 25.00 H new ATOM 0 HH21 ARG A 58 10.502 -16.759 3.102 1.00 25.00 H new ATOM 0 HH22 ARG A 58 11.406 -17.893 4.111 1.00 25.00 H new ATOM 1026 N VAL A 59 6.830 -11.962 7.199 1.00 25.00 N ATOM 1027 CA VAL A 59 7.187 -10.552 7.022 1.00 25.00 C ATOM 1028 C VAL A 59 8.196 -10.189 8.099 1.00 25.00 C ATOM 1029 O VAL A 59 9.178 -9.494 7.853 1.00 25.00 O ATOM 1030 CB VAL A 59 5.938 -9.641 7.127 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.302 -8.173 6.950 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.931 -10.051 6.076 1.00 25.00 C ATOM 0 H VAL A 59 5.875 -12.125 7.518 1.00 25.00 H new ATOM 0 HA VAL A 59 7.614 -10.402 6.030 1.00 25.00 H new ATOM 0 HB VAL A 59 5.509 -9.760 8.122 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.402 -7.563 7.030 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.010 -7.878 7.724 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.755 -8.026 5.969 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.051 -9.412 6.147 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.376 -9.948 5.086 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.640 -11.089 6.236 1.00 25.00 H new ATOM 1042 N GLY A 60 7.970 -10.717 9.289 1.00 25.00 N ATOM 1043 CA GLY A 60 8.877 -10.482 10.391 1.00 25.00 C ATOM 1044 C GLY A 60 10.172 -11.234 10.196 1.00 25.00 C ATOM 1045 O GLY A 60 11.244 -10.710 10.478 1.00 25.00 O ATOM 0 H GLY A 60 7.170 -11.308 9.513 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.081 -9.415 10.477 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.409 -10.793 11.325 1.00 25.00 H new ATOM 1049 N ASP A 61 10.076 -12.440 9.651 1.00 25.00 N ATOM 1050 CA ASP A 61 11.258 -13.253 9.349 1.00 25.00 C ATOM 1051 C ASP A 61 12.119 -12.506 8.326 1.00 25.00 C ATOM 1052 O ASP A 61 13.339 -12.523 8.390 1.00 25.00 O ATOM 1053 CB ASP A 61 10.862 -14.618 8.756 1.00 25.00 C ATOM 1054 CG ASP A 61 10.014 -15.468 9.706 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.097 -15.294 10.939 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.241 -16.319 9.193 1.00 25.00 O ATOM 0 H ASP A 61 9.190 -12.882 9.406 1.00 25.00 H new ATOM 0 HA ASP A 61 11.806 -13.424 10.275 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.308 -14.458 7.831 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.766 -15.169 8.495 1.00 25.00 H new ATOM 1061 N CYS A 62 11.464 -11.823 7.396 1.00 25.00 N ATOM 1062 CA CYS A 62 12.158 -11.053 6.368 1.00 25.00 C ATOM 1063 C CYS A 62 12.931 -9.890 6.980 1.00 25.00 C ATOM 1064 O CYS A 62 14.082 -9.646 6.629 1.00 25.00 O ATOM 1065 CB CYS A 62 11.151 -10.510 5.354 1.00 25.00 C ATOM 1066 SG CYS A 62 11.791 -10.458 3.670 1.00 25.00 S ATOM 0 H CYS A 62 10.447 -11.786 7.331 1.00 25.00 H new ATOM 0 HA CYS A 62 12.864 -11.718 5.870 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.254 -11.130 5.375 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.851 -9.505 5.652 1.00 25.00 H new ATOM 0 HG CYS A 62 11.274 -9.445 3.040 1.00 25.00 H new ATOM 1072 N PHE A 63 12.311 -9.181 7.917 1.00 25.00 N ATOM 1073 CA PHE A 63 12.998 -8.075 8.579 1.00 25.00 C ATOM 1074 C PHE A 63 14.166 -8.620 9.376 1.00 25.00 C ATOM 1075 O PHE A 63 15.216 -7.996 9.435 1.00 25.00 O ATOM 1076 CB PHE A 63 12.086 -7.325 9.552 1.00 25.00 C ATOM 1077 CG PHE A 63 10.869 -6.695 8.915 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.929 -6.101 7.636 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.650 -6.662 9.621 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.783 -5.491 7.065 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.504 -6.046 9.062 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.573 -5.461 7.782 1.00 25.00 C ATOM 0 H PHE A 63 11.355 -9.346 8.231 1.00 25.00 H new ATOM 0 HA PHE A 63 13.323 -7.386 7.800 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.757 -8.017 10.327 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.666 -6.545 10.046 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.858 -6.111 7.086 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.589 -7.112 10.601 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.839 -5.050 6.081 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.577 -6.025 9.617 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.700 -4.991 7.353 1.00 25.00 H new ATOM 1092 N GLN A 64 13.978 -9.780 9.991 1.00 25.00 N ATOM 1093 CA GLN A 64 15.022 -10.393 10.802 1.00 25.00 C ATOM 1094 C GLN A 64 16.217 -10.728 9.940 1.00 25.00 C ATOM 1095 O GLN A 64 17.333 -10.462 10.324 1.00 25.00 O ATOM 1096 CB GLN A 64 14.508 -11.672 11.479 1.00 25.00 C ATOM 1097 CG GLN A 64 15.534 -12.368 12.398 1.00 25.00 C ATOM 1098 CD GLN A 64 15.838 -11.576 13.661 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.089 -10.697 14.060 1.00 25.00 O ATOM 1100 NE2 GLN A 64 16.928 -11.907 14.304 1.00 25.00 N ATOM 0 H GLN A 64 13.111 -10.316 9.944 1.00 25.00 H new ATOM 0 HA GLN A 64 15.315 -9.681 11.573 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.622 -11.427 12.065 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.195 -12.375 10.707 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.156 -13.352 12.676 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.459 -12.527 11.844 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.530 -12.646 13.941 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.176 -11.426 15.169 1.00 25.00 H new ATOM 1109 N ASP A 65 15.986 -11.314 8.778 1.00 25.00 N ATOM 1110 CA ASP A 65 17.086 -11.741 7.917 1.00 25.00 C ATOM 1111 C ASP A 65 17.808 -10.556 7.292 1.00 25.00 C ATOM 1112 O ASP A 65 19.032 -10.525 7.208 1.00 25.00 O ATOM 1113 CB ASP A 65 16.546 -12.644 6.818 1.00 25.00 C ATOM 1114 CG ASP A 65 17.586 -13.630 6.308 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.511 -13.981 7.077 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.440 -14.102 5.162 1.00 25.00 O ATOM 0 H ASP A 65 15.055 -11.506 8.407 1.00 25.00 H new ATOM 0 HA ASP A 65 17.804 -12.282 8.533 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.684 -13.194 7.195 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.195 -12.030 5.988 1.00 25.00 H new ATOM 1121 N TYR A 66 17.050 -9.545 6.900 1.00 25.00 N ATOM 1122 CA TYR A 66 17.636 -8.334 6.335 1.00 25.00 C ATOM 1123 C TYR A 66 18.472 -7.630 7.416 1.00 25.00 C ATOM 1124 O TYR A 66 19.568 -7.129 7.146 1.00 25.00 O ATOM 1125 CB TYR A 66 16.514 -7.434 5.791 1.00 25.00 C ATOM 1126 CG TYR A 66 16.966 -6.251 4.940 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.139 -6.308 4.151 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.202 -5.066 4.904 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.542 -5.194 3.360 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.607 -3.953 4.121 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.776 -4.029 3.361 1.00 25.00 C ATOM 1132 OH TYR A 66 18.167 -2.951 2.611 1.00 25.00 O ATOM 0 H TYR A 66 16.032 -9.535 6.961 1.00 25.00 H new ATOM 0 HA TYR A 66 18.299 -8.575 5.504 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.838 -8.048 5.196 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.939 -7.052 6.635 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.737 -7.208 4.148 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.292 -5.004 5.483 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.439 -5.252 2.761 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.013 -3.051 4.113 1.00 25.00 H new ATOM 0 HH TYR A 66 17.521 -2.222 2.724 1.00 25.00 H new ATOM 1142 N PHE A 67 17.990 -7.666 8.655 1.00 25.00 N ATOM 1143 CA PHE A 67 18.739 -7.113 9.795 1.00 25.00 C ATOM 1144 C PHE A 67 19.973 -7.971 10.091 1.00 25.00 C ATOM 1145 O PHE A 67 21.027 -7.465 10.427 1.00 25.00 O ATOM 1146 CB PHE A 67 17.832 -7.078 11.036 1.00 25.00 C ATOM 1147 CG PHE A 67 18.460 -6.433 12.249 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.372 -7.144 13.055 1.00 25.00 C ATOM 1149 CD2 PHE A 67 18.120 -5.116 12.612 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.950 -6.543 14.201 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.679 -4.512 13.761 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.602 -5.225 14.553 1.00 25.00 C ATOM 0 H PHE A 67 17.087 -8.070 8.902 1.00 25.00 H new ATOM 0 HA PHE A 67 19.063 -6.103 9.545 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.917 -6.541 10.787 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.544 -8.098 11.290 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.634 -8.159 12.796 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.422 -4.559 12.004 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.656 -7.095 14.803 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.399 -3.505 14.032 1.00 25.00 H new ATOM 0 HZ PHE A 67 20.040 -4.763 15.425 1.00 25.00 H new ATOM 1162 N ASN A 68 19.823 -9.278 9.977 1.00 25.00 N ATOM 1163 CA ASN A 68 20.892 -10.228 10.284 1.00 25.00 C ATOM 1164 C ASN A 68 22.043 -10.102 9.285 1.00 25.00 C ATOM 1165 O ASN A 68 23.206 -10.242 9.637 1.00 25.00 O ATOM 1166 CB ASN A 68 20.288 -11.637 10.232 1.00 25.00 C ATOM 1167 CG ASN A 68 21.195 -12.695 10.768 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.077 -12.448 11.570 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.920 -13.908 10.383 1.00 25.00 N ATOM 0 H ASN A 68 18.956 -9.718 9.668 1.00 25.00 H new ATOM 0 HA ASN A 68 21.302 -10.022 11.273 1.00 25.00 H new ATOM 0 HB2 ASN A 68 19.358 -11.646 10.800 1.00 25.00 H new ATOM 0 HB3 ASN A 68 20.034 -11.877 9.200 1.00 25.00 H new ATOM 0 HD21 ASN A 68 21.452 -14.694 10.756 1.00 25.00 H new ATOM 0 HD22 ASN A 68 20.172 -14.072 9.709 1.00 25.00 H new ATOM 1176 N THR A 69 21.704 -9.824 8.037 1.00 25.00 N ATOM 1177 CA THR A 69 22.704 -9.720 6.977 1.00 25.00 C ATOM 1178 C THR A 69 23.437 -8.372 6.971 1.00 25.00 C ATOM 1179 O THR A 69 24.643 -8.325 6.738 1.00 25.00 O ATOM 1180 CB THR A 69 22.036 -9.931 5.593 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.264 -11.136 5.617 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.068 -10.075 4.486 1.00 25.00 C ATOM 0 H THR A 69 20.745 -9.666 7.729 1.00 25.00 H new ATOM 0 HA THR A 69 23.442 -10.497 7.175 1.00 25.00 H new ATOM 0 HB THR A 69 21.414 -9.058 5.396 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.453 -10.994 6.148 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.561 -10.221 3.532 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.678 -9.173 4.438 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.706 -10.934 4.693 1.00 25.00 H new ATOM 1190 N PHE A 70 22.716 -7.275 7.186 1.00 25.00 N ATOM 1191 CA PHE A 70 23.314 -5.936 7.049 1.00 25.00 C ATOM 1192 C PHE A 70 23.285 -5.055 8.301 1.00 25.00 C ATOM 1193 O PHE A 70 23.721 -3.908 8.265 1.00 25.00 O ATOM 1194 CB PHE A 70 22.612 -5.184 5.929 1.00 25.00 C ATOM 1195 CG PHE A 70 22.685 -5.869 4.597 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.836 -5.755 3.796 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.599 -6.623 4.125 1.00 25.00 C ATOM 1198 CE1 PHE A 70 23.904 -6.390 2.530 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.647 -7.256 2.858 1.00 25.00 C ATOM 1200 CZ PHE A 70 22.804 -7.139 2.060 1.00 25.00 C ATOM 0 H PHE A 70 21.731 -7.277 7.452 1.00 25.00 H new ATOM 0 HA PHE A 70 24.367 -6.127 6.842 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.565 -5.046 6.198 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.052 -4.191 5.840 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.677 -5.177 4.149 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.714 -6.722 4.736 1.00 25.00 H new ATOM 0 HE1 PHE A 70 24.795 -6.301 1.927 1.00 25.00 H new ATOM 0 HE2 PHE A 70 20.800 -7.826 2.505 1.00 25.00 H new ATOM 0 HZ PHE A 70 22.848 -7.620 1.094 1.00 25.00 H new ATOM 1210 N GLY A 71 22.781 -5.572 9.405 1.00 25.00 N ATOM 1211 CA GLY A 71 22.760 -4.807 10.641 1.00 25.00 C ATOM 1212 C GLY A 71 21.628 -3.794 10.762 1.00 25.00 C ATOM 1213 O GLY A 71 20.736 -3.704 9.902 1.00 25.00 O ATOM 0 H GLY A 71 22.384 -6.509 9.474 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.694 -5.502 11.478 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.709 -4.280 10.739 1.00 25.00 H new ATOM 1217 N PRO A 72 21.639 -2.988 11.841 1.00 25.00 N ATOM 1218 CA PRO A 72 20.570 -2.016 12.104 1.00 25.00 C ATOM 1219 C PRO A 72 20.565 -0.796 11.189 1.00 25.00 C ATOM 1220 O PRO A 72 19.651 0.022 11.250 1.00 25.00 O ATOM 1221 CB PRO A 72 20.850 -1.594 13.548 1.00 25.00 C ATOM 1222 CG PRO A 72 22.314 -1.706 13.673 1.00 25.00 C ATOM 1223 CD PRO A 72 22.651 -2.965 12.915 1.00 25.00 C ATOM 0 HA PRO A 72 19.591 -2.462 11.927 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.509 -0.577 13.740 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.338 -2.241 14.260 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.818 -0.838 13.249 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.621 -1.774 14.717 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.664 -2.936 12.514 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.585 -3.848 13.550 1.00 25.00 H new ATOM 1231 N GLU A 73 21.566 -0.666 10.331 1.00 25.00 N ATOM 1232 CA GLU A 73 21.626 0.466 9.407 1.00 25.00 C ATOM 1233 C GLU A 73 20.668 0.296 8.240 1.00 25.00 C ATOM 1234 O GLU A 73 20.445 1.219 7.457 1.00 25.00 O ATOM 1235 CB GLU A 73 23.053 0.670 8.890 1.00 25.00 C ATOM 1236 CG GLU A 73 23.685 -0.579 8.297 1.00 25.00 C ATOM 1237 CD GLU A 73 24.697 -0.245 7.212 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.642 0.520 7.492 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.509 -0.703 6.055 1.00 25.00 O ATOM 0 H GLU A 73 22.343 -1.322 10.252 1.00 25.00 H new ATOM 0 HA GLU A 73 21.320 1.351 9.964 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.045 1.454 8.133 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.677 1.025 9.710 1.00 25.00 H new ATOM 0 HG2 GLU A 73 24.175 -1.148 9.087 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.905 -1.218 7.882 1.00 25.00 H new ATOM 1246 N LYS A 74 20.085 -0.886 8.142 1.00 25.00 N ATOM 1247 CA LYS A 74 19.149 -1.193 7.068 1.00 25.00 C ATOM 1248 C LYS A 74 17.748 -1.465 7.578 1.00 25.00 C ATOM 1249 O LYS A 74 16.776 -1.063 6.941 1.00 25.00 O ATOM 1250 CB LYS A 74 19.684 -2.385 6.298 1.00 25.00 C ATOM 1251 CG LYS A 74 20.943 -2.070 5.489 1.00 25.00 C ATOM 1252 CD LYS A 74 20.711 -1.151 4.297 1.00 25.00 C ATOM 1253 CE LYS A 74 22.038 -0.563 3.808 1.00 25.00 C ATOM 1254 NZ LYS A 74 23.142 -1.586 3.723 1.00 25.00 N ATOM 0 H LYS A 74 20.243 -1.654 8.795 1.00 25.00 H new ATOM 0 HA LYS A 74 19.068 -0.323 6.416 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.903 -3.192 6.998 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.909 -2.750 5.623 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.679 -1.610 6.149 1.00 25.00 H new ATOM 0 HG3 LYS A 74 21.375 -3.005 5.133 1.00 25.00 H new ATOM 0 HD2 LYS A 74 20.233 -1.706 3.490 1.00 25.00 H new ATOM 0 HD3 LYS A 74 20.031 -0.346 4.577 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.890 -0.115 2.826 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.344 0.238 4.481 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 23.746 -1.377 2.903 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.713 -1.553 4.591 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 22.729 -2.534 3.616 1.00 25.00 H new ATOM 1268 N VAL A 75 17.627 -2.075 8.749 1.00 25.00 N ATOM 1269 CA VAL A 75 16.310 -2.235 9.367 1.00 25.00 C ATOM 1270 C VAL A 75 16.362 -1.623 10.763 1.00 25.00 C ATOM 1271 O VAL A 75 17.224 -1.974 11.565 1.00 25.00 O ATOM 1272 CB VAL A 75 15.945 -3.750 9.503 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.554 -3.940 10.129 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.979 -4.429 8.153 1.00 25.00 C ATOM 0 H VAL A 75 18.405 -2.461 9.284 1.00 25.00 H new ATOM 0 HA VAL A 75 15.560 -1.745 8.746 1.00 25.00 H new ATOM 0 HB VAL A 75 16.688 -4.203 10.159 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.333 -5.004 10.208 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.537 -3.491 11.122 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.804 -3.460 9.501 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.722 -5.482 8.269 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.260 -3.951 7.487 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.979 -4.344 7.728 1.00 25.00 H new ATOM 1284 N PRO A 76 15.382 -0.773 11.112 1.00 25.00 N ATOM 1285 CA PRO A 76 15.393 -0.267 12.485 1.00 25.00 C ATOM 1286 C PRO A 76 14.711 -1.213 13.462 1.00 25.00 C ATOM 1287 O PRO A 76 13.813 -1.963 13.091 1.00 25.00 O ATOM 1288 CB PRO A 76 14.598 1.021 12.365 1.00 25.00 C ATOM 1289 CG PRO A 76 13.595 0.739 11.312 1.00 25.00 C ATOM 1290 CD PRO A 76 14.282 -0.180 10.324 1.00 25.00 C ATOM 0 HA PRO A 76 16.404 -0.144 12.872 1.00 25.00 H new ATOM 0 HB2 PRO A 76 14.120 1.282 13.309 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.238 1.859 12.089 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.708 0.267 11.734 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.267 1.659 10.828 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.602 -0.944 9.946 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.657 0.368 9.460 1.00 25.00 H new ATOM 1298 N VAL A 77 15.045 -1.107 14.737 1.00 25.00 N ATOM 1299 CA VAL A 77 14.378 -1.920 15.754 1.00 25.00 C ATOM 1300 C VAL A 77 12.889 -1.555 15.879 1.00 25.00 C ATOM 1301 O VAL A 77 12.068 -2.383 16.271 1.00 25.00 O ATOM 1302 CB VAL A 77 15.088 -1.809 17.132 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.507 -2.395 17.039 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.160 -0.347 17.608 1.00 25.00 C ATOM 0 H VAL A 77 15.763 -0.477 15.095 1.00 25.00 H new ATOM 0 HA VAL A 77 14.444 -2.958 15.427 1.00 25.00 H new ATOM 0 HB VAL A 77 14.505 -2.375 17.858 1.00 25.00 H new ATOM 0 HG11 VAL A 77 16.998 -2.314 18.009 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.449 -3.444 16.748 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.080 -1.843 16.294 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.662 -0.303 18.574 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.718 0.245 16.882 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.151 0.054 17.705 1.00 25.00 H new ATOM 1314 N THR A 78 12.515 -0.345 15.474 1.00 25.00 N ATOM 1315 CA THR A 78 11.104 0.049 15.514 1.00 25.00 C ATOM 1316 C THR A 78 10.291 -0.669 14.457 1.00 25.00 C ATOM 1317 O THR A 78 9.081 -0.783 14.591 1.00 25.00 O ATOM 1318 CB THR A 78 10.891 1.581 15.356 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.500 1.889 15.448 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.418 2.131 14.051 1.00 25.00 C ATOM 0 H THR A 78 13.152 0.369 15.121 1.00 25.00 H new ATOM 0 HA THR A 78 10.757 -0.242 16.506 1.00 25.00 H new ATOM 0 HB THR A 78 11.456 2.050 16.162 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.372 2.855 15.349 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.236 3.205 14.009 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.489 1.942 13.983 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.910 1.644 13.219 1.00 25.00 H new ATOM 1328 N ALA A 79 10.931 -1.180 13.417 1.00 25.00 N ATOM 1329 CA ALA A 79 10.188 -1.893 12.393 1.00 25.00 C ATOM 1330 C ALA A 79 9.617 -3.191 12.972 1.00 25.00 C ATOM 1331 O ALA A 79 8.485 -3.549 12.684 1.00 25.00 O ATOM 1332 CB ALA A 79 11.073 -2.165 11.214 1.00 25.00 C ATOM 0 H ALA A 79 11.937 -1.117 13.262 1.00 25.00 H new ATOM 0 HA ALA A 79 9.354 -1.278 12.054 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.508 -2.700 10.451 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.433 -1.221 10.804 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.922 -2.772 11.529 1.00 25.00 H new ATOM 1338 N PHE A 80 10.378 -3.849 13.835 1.00 25.00 N ATOM 1339 CA PHE A 80 9.910 -5.073 14.492 1.00 25.00 C ATOM 1340 C PHE A 80 8.824 -4.740 15.508 1.00 25.00 C ATOM 1341 O PHE A 80 7.907 -5.519 15.745 1.00 25.00 O ATOM 1342 CB PHE A 80 11.060 -5.758 15.229 1.00 25.00 C ATOM 1343 CG PHE A 80 12.204 -6.144 14.341 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.235 -7.406 13.723 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.274 -5.256 14.135 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.321 -7.781 12.905 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.368 -5.615 13.322 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.393 -6.884 12.703 1.00 25.00 C ATOM 0 H PHE A 80 11.320 -3.561 14.100 1.00 25.00 H new ATOM 0 HA PHE A 80 9.516 -5.737 13.723 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.427 -5.091 16.009 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.680 -6.651 15.725 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.418 -8.096 13.876 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.258 -4.285 14.607 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.333 -8.753 12.434 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.183 -4.923 13.173 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.227 -7.167 12.078 1.00 25.00 H new ATOM 1358 N SER A 81 8.935 -3.567 16.107 1.00 25.00 N ATOM 1359 CA SER A 81 7.979 -3.125 17.124 1.00 25.00 C ATOM 1360 C SER A 81 6.635 -2.835 16.468 1.00 25.00 C ATOM 1361 O SER A 81 5.585 -3.261 16.945 1.00 25.00 O ATOM 1362 CB SER A 81 8.499 -1.873 17.835 1.00 25.00 C ATOM 1363 OG SER A 81 7.620 -1.480 18.873 1.00 25.00 O ATOM 0 H SER A 81 9.678 -2.897 15.910 1.00 25.00 H new ATOM 0 HA SER A 81 7.855 -3.916 17.864 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.489 -2.068 18.246 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.607 -1.060 17.117 1.00 25.00 H new ATOM 0 HG SER A 81 7.973 -0.679 19.315 1.00 25.00 H new ATOM 1369 N TYR A 82 6.671 -2.160 15.331 1.00 25.00 N ATOM 1370 CA TYR A 82 5.456 -1.892 14.578 1.00 25.00 C ATOM 1371 C TYR A 82 4.897 -3.180 14.019 1.00 25.00 C ATOM 1372 O TYR A 82 3.700 -3.393 14.027 1.00 25.00 O ATOM 1373 CB TYR A 82 5.735 -0.925 13.441 1.00 25.00 C ATOM 1374 CG TYR A 82 5.407 0.488 13.826 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.352 1.302 14.482 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.131 1.014 13.561 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.032 2.632 14.859 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.801 2.347 13.935 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.758 3.144 14.574 1.00 25.00 C ATOM 1380 OH TYR A 82 4.440 4.432 14.923 1.00 25.00 O ATOM 0 H TYR A 82 7.523 -1.789 14.911 1.00 25.00 H new ATOM 0 HA TYR A 82 4.727 -1.443 15.253 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.785 -0.991 13.156 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.149 -1.210 12.567 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.333 0.908 14.701 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.392 0.400 13.068 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.765 3.246 15.362 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.817 2.742 13.727 1.00 25.00 H new ATOM 0 HH TYR A 82 3.782 4.789 14.290 1.00 25.00 H new ATOM 1390 N TRP A 83 5.768 -4.065 13.574 1.00 25.00 N ATOM 1391 CA TRP A 83 5.336 -5.352 13.055 1.00 25.00 C ATOM 1392 C TRP A 83 4.562 -6.131 14.123 1.00 25.00 C ATOM 1393 O TRP A 83 3.567 -6.800 13.827 1.00 25.00 O ATOM 1394 CB TRP A 83 6.568 -6.148 12.618 1.00 25.00 C ATOM 1395 CG TRP A 83 6.258 -7.538 12.193 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.816 -7.956 10.983 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.372 -8.732 12.993 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.626 -9.305 10.959 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.958 -9.823 12.177 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.787 -8.992 14.315 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.951 -11.151 12.640 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.795 -10.330 14.783 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.374 -11.397 13.934 1.00 25.00 C ATOM 0 H TRP A 83 6.777 -3.919 13.561 1.00 25.00 H new ATOM 0 HA TRP A 83 4.675 -5.193 12.203 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.055 -5.625 11.795 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.281 -6.179 13.442 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.637 -7.302 10.142 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.290 -9.841 10.159 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.094 -8.184 14.962 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.624 -11.958 12.002 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.122 -10.544 15.790 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.386 -12.411 14.307 1.00 25.00 H new ATOM 1414 N ASN A 84 4.997 -5.994 15.368 1.00 25.00 N ATOM 1415 CA ASN A 84 4.369 -6.657 16.513 1.00 25.00 C ATOM 1416 C ASN A 84 2.944 -6.143 16.726 1.00 25.00 C ATOM 1417 O ASN A 84 2.053 -6.895 17.104 1.00 25.00 O ATOM 1418 CB ASN A 84 5.190 -6.369 17.783 1.00 25.00 C ATOM 1419 CG ASN A 84 5.631 -7.620 18.515 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.426 -8.747 18.080 1.00 25.00 O ATOM 1421 ND2 ASN A 84 6.265 -7.418 19.634 1.00 25.00 N ATOM 0 H ASN A 84 5.800 -5.417 15.618 1.00 25.00 H new ATOM 0 HA ASN A 84 4.335 -7.728 16.313 1.00 25.00 H new ATOM 0 HB2 ASN A 84 6.071 -5.787 17.512 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.596 -5.753 18.458 1.00 25.00 H new ATOM 0 HD21 ASN A 84 6.608 -8.211 20.176 1.00 25.00 H new ATOM 0 HD22 ASN A 84 6.419 -6.467 19.968 1.00 25.00 H new ATOM 1428 N LEU A 85 2.736 -4.860 16.464 1.00 25.00 N ATOM 1429 CA LEU A 85 1.423 -4.233 16.632 1.00 25.00 C ATOM 1430 C LEU A 85 0.401 -4.823 15.659 1.00 25.00 C ATOM 1431 O LEU A 85 -0.736 -5.065 16.021 1.00 25.00 O ATOM 1432 CB LEU A 85 1.552 -2.714 16.432 1.00 25.00 C ATOM 1433 CG LEU A 85 0.307 -1.853 16.701 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.737 -0.501 17.267 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.506 -1.624 15.420 1.00 25.00 C ATOM 0 H LEU A 85 3.462 -4.226 16.132 1.00 25.00 H new ATOM 0 HA LEU A 85 1.065 -4.433 17.642 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.354 -2.357 17.078 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.868 -2.536 15.404 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.321 -2.384 17.416 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.145 0.110 17.458 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.282 -0.653 18.199 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.381 0.006 16.549 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.379 -1.012 15.647 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.113 -1.114 14.682 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.831 -2.584 15.019 1.00 25.00 H new ATOM 1447 N ILE A 86 0.797 -5.076 14.421 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.136 -5.671 13.460 1.00 25.00 C ATOM 1449 C ILE A 86 -0.229 -7.180 13.722 1.00 25.00 C ATOM 1450 O ILE A 86 -1.273 -7.796 13.522 1.00 25.00 O ATOM 1451 CB ILE A 86 0.278 -5.409 11.983 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.206 -3.907 11.635 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.671 -6.141 11.029 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.473 -3.116 11.924 1.00 25.00 C ATOM 0 H ILE A 86 1.732 -4.887 14.059 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.108 -5.199 13.602 1.00 25.00 H new ATOM 0 HB ILE A 86 1.301 -5.768 11.872 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.033 -3.806 10.576 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.618 -3.460 12.192 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.370 -5.950 9.999 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.630 -7.212 11.226 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.689 -5.783 11.183 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.322 -2.073 11.646 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.706 -3.178 12.987 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.300 -3.530 11.347 1.00 25.00 H new ATOM 1466 N LYS A 87 0.849 -7.771 14.211 1.00 25.00 N ATOM 1467 CA LYS A 87 0.867 -9.195 14.524 1.00 25.00 C ATOM 1468 C LYS A 87 -0.216 -9.529 15.538 1.00 25.00 C ATOM 1469 O LYS A 87 -0.993 -10.443 15.317 1.00 25.00 O ATOM 1470 CB LYS A 87 2.248 -9.558 15.068 1.00 25.00 C ATOM 1471 CG LYS A 87 2.394 -10.921 15.696 1.00 25.00 C ATOM 1472 CD LYS A 87 3.623 -10.870 16.563 1.00 25.00 C ATOM 1473 CE LYS A 87 3.869 -12.127 17.355 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.042 -11.868 18.264 1.00 25.00 N ATOM 0 H LYS A 87 1.727 -7.287 14.401 1.00 25.00 H new ATOM 0 HA LYS A 87 0.667 -9.774 13.623 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.966 -9.482 14.251 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.528 -8.810 15.810 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.513 -11.170 16.288 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.492 -11.691 14.931 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.491 -10.674 15.933 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.534 -10.031 17.252 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.986 -12.393 17.936 1.00 25.00 H new ATOM 0 HE3 LYS A 87 4.077 -12.965 16.689 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.875 -12.380 17.910 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.246 -10.848 18.286 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.816 -12.196 19.225 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.299 -8.786 16.629 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.332 -9.069 17.627 1.00 25.00 C ATOM 1490 C GLU A 88 -2.722 -8.808 17.039 1.00 25.00 C ATOM 1491 O GLU A 88 -3.681 -9.496 17.375 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.114 -8.242 18.906 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.162 -6.738 18.696 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.000 -5.955 19.976 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.139 -5.827 20.472 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -2.008 -5.388 20.450 1.00 25.00 O ATOM 0 H GLU A 88 0.315 -8.002 16.849 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.262 -10.122 17.901 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.873 -8.519 19.637 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.147 -8.506 19.335 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.375 -6.449 17.999 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.112 -6.472 18.232 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.822 -7.847 16.128 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.106 -7.497 15.537 1.00 25.00 C ATOM 1505 C LEU A 89 -4.651 -8.594 14.637 1.00 25.00 C ATOM 1506 O LEU A 89 -5.834 -8.895 14.692 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.006 -6.181 14.763 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.017 -4.899 15.620 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.711 -3.688 14.735 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.361 -4.684 16.329 1.00 25.00 C ATOM 0 H LEU A 89 -2.033 -7.299 15.785 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.808 -7.375 16.362 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.088 -6.195 14.175 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.836 -6.132 14.058 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.252 -5.013 16.388 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.719 -2.783 15.342 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.729 -3.810 14.278 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.467 -3.608 13.954 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.319 -3.769 16.920 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.155 -4.600 15.587 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.566 -5.530 16.985 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.811 -9.206 13.815 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.298 -10.276 12.943 1.00 25.00 C ATOM 1524 C ILE A 90 -4.482 -11.556 13.763 1.00 25.00 C ATOM 1525 O ILE A 90 -5.454 -12.288 13.574 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.339 -10.605 11.757 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.002 -9.358 10.922 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -4.004 -11.658 10.831 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.765 -9.567 10.007 1.00 25.00 C ATOM 0 H ILE A 90 -2.817 -8.992 13.730 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.237 -9.917 12.522 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.413 -10.991 12.183 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.863 -9.093 10.308 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.817 -8.517 11.590 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.335 -11.888 10.002 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.205 -12.567 11.399 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.941 -11.260 10.441 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.573 -8.656 9.441 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.895 -9.804 10.620 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.957 -10.389 9.317 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.547 -11.838 14.663 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.584 -13.088 15.433 1.00 25.00 C ATOM 1543 C ASP A 91 -4.838 -13.149 16.292 1.00 25.00 C ATOM 1544 O ASP A 91 -5.430 -14.208 16.465 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.336 -13.218 16.314 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.120 -14.638 16.821 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.651 -14.979 17.897 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.372 -15.405 16.156 1.00 25.00 O ATOM 0 H ASP A 91 -2.759 -11.228 14.880 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.601 -13.920 14.729 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.461 -12.902 15.746 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.425 -12.542 17.165 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.275 -11.999 16.789 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.492 -11.921 17.599 1.00 25.00 C ATOM 1555 C LYS A 92 -7.595 -11.154 16.880 1.00 25.00 C ATOM 1556 O LYS A 92 -8.450 -10.536 17.512 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.174 -11.290 18.963 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.248 -12.154 19.827 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.003 -13.339 20.455 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.161 -14.615 20.454 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.251 -15.344 19.142 1.00 25.00 N ATOM 0 H LYS A 92 -4.807 -11.104 16.647 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.862 -12.934 17.760 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.710 -10.316 18.806 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.105 -11.116 19.502 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.425 -12.528 19.218 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.809 -11.542 20.615 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.283 -13.090 21.478 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.928 -13.513 19.905 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.120 -14.364 20.659 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.495 -15.271 21.258 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.577 -16.136 19.138 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.216 -15.710 19.013 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.022 -14.691 18.366 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.635 -11.258 15.553 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.715 -10.622 14.777 1.00 25.00 C ATOM 1577 C LYS A 93 -10.049 -11.290 15.116 1.00 25.00 C ATOM 1578 O LYS A 93 -11.112 -10.740 14.890 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.446 -10.675 13.266 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.617 -12.046 12.615 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.213 -11.982 11.146 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.357 -13.336 10.456 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.797 -13.760 10.335 1.00 25.00 N ATOM 0 H LYS A 93 -6.949 -11.765 14.994 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.757 -9.568 15.052 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.115 -9.971 12.771 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.428 -10.330 13.084 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.007 -12.784 13.136 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.654 -12.372 12.701 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.830 -11.245 10.632 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.180 -11.643 11.068 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.910 -13.286 9.463 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.804 -14.089 11.017 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.853 -14.651 9.801 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -10.199 -13.899 11.284 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.335 -13.023 9.836 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.953 -12.478 15.690 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.106 -13.270 16.116 1.00 25.00 C ATOM 1599 C GLU A 94 -11.937 -12.597 17.221 1.00 25.00 C ATOM 1600 O GLU A 94 -13.134 -12.827 17.310 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.594 -14.641 16.585 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.573 -14.564 17.738 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.850 -15.877 17.994 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.058 -16.851 17.245 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.001 -15.900 18.914 1.00 25.00 O ATOM 0 H GLU A 94 -9.059 -12.931 15.878 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.781 -13.371 15.266 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.443 -15.246 16.904 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.136 -15.155 15.740 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.838 -13.791 17.512 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.087 -14.258 18.649 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.316 -11.739 18.025 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.026 -11.016 19.095 1.00 25.00 C ATOM 1614 C VAL A 95 -11.958 -9.513 18.845 1.00 25.00 C ATOM 1615 O VAL A 95 -12.357 -8.706 19.679 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.441 -11.345 20.506 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.749 -12.798 20.888 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.919 -11.102 20.550 1.00 25.00 C ATOM 0 H VAL A 95 -10.321 -11.522 17.962 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.065 -11.344 19.080 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.915 -10.678 21.226 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.335 -13.011 21.873 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.828 -12.948 20.908 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.303 -13.469 20.154 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.541 -11.340 21.544 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.428 -11.738 19.814 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.711 -10.056 20.323 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.461 -9.142 17.677 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.346 -7.739 17.289 1.00 25.00 C ATOM 1630 C ASN A 96 -12.045 -7.552 15.938 1.00 25.00 C ATOM 1631 O ASN A 96 -11.408 -7.602 14.878 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.870 -7.335 17.224 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.680 -5.842 17.070 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.364 -5.184 16.295 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.751 -5.301 17.806 1.00 25.00 N ATOM 0 H ASN A 96 -11.126 -9.798 16.971 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.826 -7.095 18.026 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.366 -7.670 18.130 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.394 -7.846 16.387 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.574 -4.298 17.748 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.201 -5.880 18.440 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.378 -7.364 15.951 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.071 -7.294 14.662 1.00 25.00 C ATOM 1644 C PRO A 97 -13.756 -6.041 13.851 1.00 25.00 C ATOM 1645 O PRO A 97 -13.937 -6.032 12.635 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.548 -7.341 15.065 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.577 -6.732 16.414 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.327 -7.249 17.077 1.00 25.00 C ATOM 0 HA PRO A 97 -13.762 -8.101 13.998 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.170 -6.785 14.364 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.924 -8.364 15.082 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.579 -5.643 16.360 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.471 -7.025 16.965 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.963 -6.564 17.843 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.496 -8.210 17.563 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.247 -4.999 14.499 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.870 -3.789 13.782 1.00 25.00 C ATOM 1658 C GLN A 98 -11.731 -4.143 12.857 1.00 25.00 C ATOM 1659 O GLN A 98 -11.799 -3.920 11.655 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.389 -2.689 14.740 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.495 -1.883 15.403 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.315 -2.679 16.399 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -13.830 -3.612 17.024 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.556 -2.308 16.554 1.00 25.00 N ATOM 0 H GLN A 98 -13.088 -4.968 15.506 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.739 -3.414 13.241 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.778 -3.148 15.518 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.743 -2.006 14.189 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.053 -1.026 15.912 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.158 -1.489 14.632 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.925 -1.525 16.015 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.157 -2.801 17.214 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.676 -4.719 13.406 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.529 -5.005 12.579 1.00 25.00 C ATOM 1675 C VAL A 99 -9.816 -6.171 11.647 1.00 25.00 C ATOM 1676 O VAL A 99 -9.309 -6.194 10.557 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.233 -5.203 13.400 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.122 -6.619 13.957 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.022 -4.865 12.537 1.00 25.00 C ATOM 0 H VAL A 99 -10.593 -4.988 14.386 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.345 -4.127 11.960 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.267 -4.527 14.255 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.198 -6.714 14.527 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.972 -6.821 14.608 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.117 -7.334 13.134 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.111 -5.005 13.118 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.002 -5.520 11.666 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.087 -3.828 12.209 1.00 25.00 H new ATOM 1689 N MET A 100 -10.693 -7.092 12.017 1.00 25.00 N ATOM 1690 CA MET A 100 -11.062 -8.186 11.114 1.00 25.00 C ATOM 1691 C MET A 100 -11.687 -7.640 9.828 1.00 25.00 C ATOM 1692 O MET A 100 -11.358 -8.091 8.726 1.00 25.00 O ATOM 1693 CB MET A 100 -12.024 -9.142 11.819 1.00 25.00 C ATOM 1694 CG MET A 100 -12.406 -10.367 11.002 1.00 25.00 C ATOM 1695 SD MET A 100 -13.913 -10.084 10.047 1.00 25.00 S ATOM 1696 CE MET A 100 -13.489 -10.808 8.454 1.00 25.00 C ATOM 0 H MET A 100 -11.161 -7.110 12.923 1.00 25.00 H new ATOM 0 HA MET A 100 -10.160 -8.734 10.842 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.570 -9.471 12.754 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.931 -8.597 12.080 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.590 -10.624 10.327 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.550 -11.218 11.667 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.331 -10.702 7.770 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.620 -10.296 8.041 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.259 -11.865 8.585 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.525 -6.620 9.955 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.122 -5.980 8.789 1.00 25.00 C ATOM 1708 C ALA A 101 -12.048 -5.259 7.962 1.00 25.00 C ATOM 1709 O ALA A 101 -12.169 -5.128 6.746 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.203 -4.991 9.240 1.00 25.00 C ATOM 0 H ALA A 101 -12.806 -6.219 10.850 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.579 -6.745 8.161 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.647 -4.514 8.366 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.975 -5.524 9.795 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.756 -4.230 9.880 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.994 -4.804 8.623 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.907 -4.114 7.952 1.00 25.00 C ATOM 1718 C ALA A 102 -9.004 -5.131 7.258 1.00 25.00 C ATOM 1719 O ALA A 102 -8.442 -4.838 6.220 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.109 -3.288 8.960 1.00 25.00 C ATOM 0 H ALA A 102 -10.870 -4.902 9.631 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.317 -3.438 7.202 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.296 -2.774 8.447 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.764 -2.553 9.428 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.697 -3.946 9.725 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.878 -6.323 7.823 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.059 -7.383 7.228 1.00 25.00 C ATOM 1728 C VAL A 103 -8.669 -7.746 5.890 1.00 25.00 C ATOM 1729 O VAL A 103 -7.979 -7.779 4.875 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.014 -8.653 8.147 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.324 -9.828 7.448 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.286 -8.338 9.470 1.00 25.00 C ATOM 0 H VAL A 103 -9.333 -6.587 8.697 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.036 -7.025 7.109 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.044 -8.937 8.360 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.311 -10.691 8.114 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.868 -10.080 6.538 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.301 -9.550 7.194 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.264 -9.231 10.095 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.266 -8.020 9.257 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.813 -7.541 9.994 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.978 -7.966 5.885 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.686 -8.322 4.664 1.00 25.00 C ATOM 1744 C ALA A 104 -10.564 -7.197 3.634 1.00 25.00 C ATOM 1745 O ALA A 104 -10.265 -7.438 2.473 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.154 -8.608 4.986 1.00 25.00 C ATOM 0 H ALA A 104 -10.570 -7.904 6.713 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.240 -9.221 4.238 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.682 -8.874 4.070 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.217 -9.434 5.694 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.610 -7.720 5.423 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.749 -5.963 4.080 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.617 -4.817 3.188 1.00 25.00 C ATOM 1754 C GLN A 105 -9.202 -4.675 2.643 1.00 25.00 C ATOM 1755 O GLN A 105 -9.024 -4.302 1.492 1.00 25.00 O ATOM 1756 CB GLN A 105 -11.001 -3.530 3.913 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.493 -3.265 3.894 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.841 -1.919 4.479 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.587 -0.878 3.882 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.422 -1.925 5.648 1.00 25.00 N ATOM 0 H GLN A 105 -10.989 -5.729 5.044 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.292 -4.990 2.350 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.660 -3.586 4.947 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.482 -2.690 3.451 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.856 -3.318 2.868 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -13.006 -4.046 4.455 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.618 -2.810 6.116 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.680 -1.045 6.094 1.00 25.00 H new ATOM 1769 N THR A 106 -8.188 -4.958 3.449 1.00 25.00 N ATOM 1770 CA THR A 106 -6.820 -4.801 2.981 1.00 25.00 C ATOM 1771 C THR A 106 -6.565 -5.851 1.908 1.00 25.00 C ATOM 1772 O THR A 106 -5.949 -5.543 0.905 1.00 25.00 O ATOM 1773 CB THR A 106 -5.784 -4.907 4.129 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.132 -4.000 5.173 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.386 -4.520 3.657 1.00 25.00 C ATOM 0 H THR A 106 -8.283 -5.290 4.409 1.00 25.00 H new ATOM 0 HA THR A 106 -6.699 -3.800 2.567 1.00 25.00 H new ATOM 0 HB THR A 106 -5.788 -5.941 4.472 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.833 -4.397 5.731 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.685 -4.606 4.487 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.077 -5.185 2.851 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.396 -3.492 3.295 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.098 -7.058 2.061 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.944 -8.075 1.015 1.00 25.00 C ATOM 1785 C GLU A 107 -7.529 -7.598 -0.311 1.00 25.00 C ATOM 1786 O GLU A 107 -6.897 -7.735 -1.349 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.632 -9.394 1.381 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.962 -10.167 2.499 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.313 -11.654 2.488 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.039 -12.117 1.576 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.799 -12.376 3.374 1.00 25.00 O ATOM 0 H GLU A 107 -7.630 -7.357 2.878 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.871 -8.241 0.920 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.662 -9.183 1.669 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.672 -10.026 0.494 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.881 -10.053 2.415 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.254 -9.737 3.457 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.721 -7.018 -0.278 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.367 -6.533 -1.505 1.00 25.00 C ATOM 1800 C GLU A 108 -8.526 -5.439 -2.154 1.00 25.00 C ATOM 1801 O GLU A 108 -8.371 -5.384 -3.373 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.750 -5.957 -1.185 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.757 -6.978 -0.678 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.092 -6.330 -0.326 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.103 -5.373 0.489 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.127 -6.761 -0.876 1.00 25.00 O ATOM 0 H GLU A 108 -9.262 -6.869 0.574 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.465 -7.376 -2.188 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.639 -5.173 -0.436 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.150 -5.486 -2.083 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.914 -7.743 -1.439 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.354 -7.481 0.201 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.973 -4.571 -1.322 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.160 -3.455 -1.789 1.00 25.00 C ATOM 1815 C ILE A 109 -5.868 -3.974 -2.411 1.00 25.00 C ATOM 1816 O ILE A 109 -5.450 -3.493 -3.456 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.885 -2.478 -0.606 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.193 -1.733 -0.275 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.745 -1.476 -0.928 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.231 -1.107 1.104 1.00 25.00 C ATOM 0 H ILE A 109 -8.073 -4.618 -0.308 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.696 -2.904 -2.562 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.552 -3.055 0.257 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.349 -0.952 -1.019 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.026 -2.430 -0.366 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.589 -0.816 -0.075 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.826 -2.025 -1.135 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.018 -0.883 -1.801 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.187 -0.605 1.249 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.110 -1.883 1.859 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.423 -0.382 1.197 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.247 -4.971 -1.802 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.003 -5.524 -2.339 1.00 25.00 C ATOM 1834 C LEU A 110 -4.228 -6.268 -3.643 1.00 25.00 C ATOM 1835 O LEU A 110 -3.419 -6.174 -4.550 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.341 -6.465 -1.329 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.838 -5.795 -0.040 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.169 -6.822 0.866 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -1.888 -4.647 -0.344 1.00 25.00 C ATOM 0 H LEU A 110 -5.575 -5.414 -0.944 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.344 -4.678 -2.534 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.055 -7.243 -1.060 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.499 -6.959 -1.815 1.00 25.00 H new ATOM 0 HG LEU A 110 -3.701 -5.379 0.480 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.818 -6.332 1.774 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.887 -7.599 1.127 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -1.323 -7.270 0.345 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.552 -4.196 0.590 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -1.027 -5.024 -0.896 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.404 -3.897 -0.944 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.339 -6.984 -3.742 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.664 -7.737 -4.958 1.00 25.00 C ATOM 1853 C LYS A 111 -5.988 -6.800 -6.121 1.00 25.00 C ATOM 1854 O LYS A 111 -5.793 -7.147 -7.278 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.821 -8.679 -4.681 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.396 -9.817 -3.762 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.590 -10.494 -3.183 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.175 -11.421 -2.041 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.344 -11.974 -1.275 1.00 25.00 N ATOM 0 H LYS A 111 -6.034 -7.063 -2.999 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.792 -8.323 -5.248 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.642 -8.126 -4.224 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.195 -9.087 -5.620 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.797 -10.537 -4.319 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -5.766 -9.430 -2.961 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.296 -9.749 -2.817 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.102 -11.066 -3.956 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.590 -12.247 -2.446 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.525 -10.876 -1.357 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.113 -12.002 -0.261 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.175 -11.367 -1.424 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.554 -12.936 -1.609 1.00 25.00 H new ATOM 1873 N SER A 112 -6.495 -5.618 -5.801 1.00 25.00 N ATOM 1874 CA SER A 112 -6.817 -4.610 -6.814 1.00 25.00 C ATOM 1875 C SER A 112 -5.588 -3.785 -7.223 1.00 25.00 C ATOM 1876 O SER A 112 -5.408 -3.439 -8.392 1.00 25.00 O ATOM 1877 CB SER A 112 -7.901 -3.677 -6.267 1.00 25.00 C ATOM 1878 OG SER A 112 -8.357 -2.774 -7.260 1.00 25.00 O ATOM 0 H SER A 112 -6.695 -5.328 -4.844 1.00 25.00 H new ATOM 0 HA SER A 112 -7.172 -5.131 -7.703 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.739 -4.268 -5.898 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.507 -3.118 -5.418 1.00 25.00 H new ATOM 0 HG SER A 112 -9.049 -2.193 -6.881 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.763 -3.428 -6.248 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.606 -2.567 -6.498 1.00 25.00 C ATOM 1886 C ASN A 113 -2.529 -3.268 -7.317 1.00 25.00 C ATOM 1887 O ASN A 113 -2.047 -4.332 -6.954 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.966 -2.121 -5.180 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.776 -1.074 -4.455 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -4.718 -0.506 -4.981 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -3.379 -0.785 -3.247 1.00 25.00 N ATOM 0 H ASN A 113 -4.870 -3.719 -5.276 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.984 -1.711 -7.057 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.840 -2.988 -4.532 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.970 -1.727 -5.381 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -3.861 -0.063 -2.711 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.587 -1.281 -2.838 1.00 25.00 H new ATOM 1898 N SER A 114 -2.087 -2.619 -8.381 1.00 25.00 N ATOM 1899 CA SER A 114 -0.996 -3.121 -9.177 1.00 25.00 C ATOM 1900 C SER A 114 0.318 -2.736 -8.520 1.00 25.00 C ATOM 1901 O SER A 114 0.406 -1.783 -7.734 1.00 25.00 O ATOM 1902 CB SER A 114 -1.064 -2.518 -10.577 1.00 25.00 C ATOM 1903 OG SER A 114 -2.313 -2.812 -11.178 1.00 25.00 O ATOM 0 H SER A 114 -2.476 -1.735 -8.710 1.00 25.00 H new ATOM 0 HA SER A 114 -1.065 -4.206 -9.251 1.00 25.00 H new ATOM 0 HB2 SER A 114 -0.924 -1.438 -10.523 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.255 -2.914 -11.191 1.00 25.00 H new ATOM 0 HG SER A 114 -2.345 -2.418 -12.075 1.00 25.00 H new ATOM 1909 N GLN A 115 1.355 -3.461 -8.880 1.00 25.00 N ATOM 1910 CA GLN A 115 2.704 -3.166 -8.410 1.00 25.00 C ATOM 1911 C GLN A 115 3.318 -2.091 -9.297 1.00 25.00 C ATOM 1912 O GLN A 115 3.934 -2.366 -10.320 1.00 25.00 O ATOM 1913 CB GLN A 115 3.569 -4.418 -8.401 1.00 25.00 C ATOM 1914 CG GLN A 115 4.947 -4.206 -7.770 1.00 25.00 C ATOM 1915 CD GLN A 115 5.732 -5.493 -7.660 1.00 25.00 C ATOM 1916 OE1 GLN A 115 5.344 -6.402 -6.949 1.00 25.00 O ATOM 1917 NE2 GLN A 115 6.842 -5.569 -8.346 1.00 25.00 N ATOM 0 H GLN A 115 1.295 -4.267 -9.502 1.00 25.00 H new ATOM 0 HA GLN A 115 2.651 -2.802 -7.384 1.00 25.00 H new ATOM 0 HB2 GLN A 115 3.047 -5.206 -7.858 1.00 25.00 H new ATOM 0 HB3 GLN A 115 3.698 -4.768 -9.425 1.00 25.00 H new ATOM 0 HG2 GLN A 115 5.511 -3.489 -8.367 1.00 25.00 H new ATOM 0 HG3 GLN A 115 4.827 -3.770 -6.778 1.00 25.00 H new ATOM 0 HE21 GLN A 115 7.135 -4.786 -8.931 1.00 25.00 H new ATOM 0 HE22 GLN A 115 7.416 -6.411 -8.296 1.00 25.00 H new ATOM 1926 N THR A 116 3.092 -0.857 -8.896 1.00 25.00 N ATOM 1927 CA THR A 116 3.617 0.301 -9.604 1.00 25.00 C ATOM 1928 C THR A 116 5.119 0.438 -9.358 1.00 25.00 C ATOM 1929 O THR A 116 5.643 -0.027 -8.343 1.00 25.00 O ATOM 1930 CB THR A 116 2.897 1.582 -9.149 1.00 25.00 C ATOM 1931 OG1 THR A 116 2.878 1.636 -7.718 1.00 25.00 O ATOM 1932 CG2 THR A 116 1.449 1.584 -9.628 1.00 25.00 C ATOM 0 H THR A 116 2.540 -0.624 -8.071 1.00 25.00 H new ATOM 0 HA THR A 116 3.443 0.158 -10.670 1.00 25.00 H new ATOM 0 HB THR A 116 3.429 2.436 -9.568 1.00 25.00 H new ATOM 0 HG1 THR A 116 2.421 2.453 -7.428 1.00 25.00 H new ATOM 0 HG21 THR A 116 0.957 2.498 -9.296 1.00 25.00 H new ATOM 0 HG22 THR A 116 1.426 1.534 -10.717 1.00 25.00 H new ATOM 0 HG23 THR A 116 0.928 0.721 -9.214 1.00 25.00 H new ATOM 1940 N ASP A 117 5.798 1.035 -10.327 1.00 25.00 N ATOM 1941 CA ASP A 117 7.256 1.157 -10.330 1.00 25.00 C ATOM 1942 C ASP A 117 7.734 2.507 -9.756 1.00 25.00 C ATOM 1943 O ASP A 117 6.934 3.425 -9.533 1.00 25.00 O ATOM 1944 CB ASP A 117 7.732 1.013 -11.790 1.00 25.00 C ATOM 1945 CG ASP A 117 9.236 0.775 -11.910 1.00 25.00 C ATOM 1946 OD1 ASP A 117 9.863 0.330 -10.923 1.00 25.00 O ATOM 1947 OD2 ASP A 117 9.793 1.078 -12.982 1.00 25.00 O ATOM 0 H ASP A 117 5.352 1.454 -11.143 1.00 25.00 H new ATOM 0 HA ASP A 117 7.677 0.380 -9.693 1.00 25.00 H new ATOM 0 HB2 ASP A 117 7.201 0.185 -12.259 1.00 25.00 H new ATOM 0 HB3 ASP A 117 7.468 1.915 -12.342 1.00 25.00 H new ATOM 1952 N LEU A 118 9.049 2.619 -9.595 1.00 25.00 N ATOM 1953 CA LEU A 118 9.754 3.829 -9.204 1.00 25.00 C ATOM 1954 C LEU A 118 9.357 4.435 -7.851 1.00 25.00 C ATOM 1955 O LEU A 118 8.856 3.752 -6.945 1.00 25.00 O ATOM 1956 CB LEU A 118 9.658 4.873 -10.329 1.00 25.00 C ATOM 1957 CG LEU A 118 9.988 4.417 -11.762 1.00 25.00 C ATOM 1958 CD1 LEU A 118 9.752 5.580 -12.726 1.00 25.00 C ATOM 1959 CD2 LEU A 118 11.437 3.935 -11.884 1.00 25.00 C ATOM 0 H LEU A 118 9.679 1.830 -9.741 1.00 25.00 H new ATOM 0 HA LEU A 118 10.788 3.519 -9.051 1.00 25.00 H new ATOM 0 HB2 LEU A 118 8.644 5.272 -10.330 1.00 25.00 H new ATOM 0 HB3 LEU A 118 10.325 5.698 -10.078 1.00 25.00 H new ATOM 0 HG LEU A 118 9.337 3.579 -12.011 1.00 25.00 H new ATOM 0 HD11 LEU A 118 9.984 5.263 -13.743 1.00 25.00 H new ATOM 0 HD12 LEU A 118 8.709 5.891 -12.672 1.00 25.00 H new ATOM 0 HD13 LEU A 118 10.395 6.416 -12.451 1.00 25.00 H new ATOM 0 HD21 LEU A 118 11.631 3.622 -12.910 1.00 25.00 H new ATOM 0 HD22 LEU A 118 12.114 4.747 -11.618 1.00 25.00 H new ATOM 0 HD23 LEU A 118 11.598 3.093 -11.211 1.00 25.00 H new ATOM 1971 N GLU A 119 9.700 5.706 -7.683 1.00 25.00 N ATOM 1972 CA GLU A 119 9.569 6.400 -6.407 1.00 25.00 C ATOM 1973 C GLU A 119 8.130 6.732 -6.007 1.00 25.00 C ATOM 1974 O GLU A 119 7.691 7.884 -6.024 1.00 25.00 O ATOM 1975 CB GLU A 119 10.446 7.664 -6.409 1.00 25.00 C ATOM 1976 CG GLU A 119 11.790 7.445 -5.741 1.00 25.00 C ATOM 1977 CD GLU A 119 11.674 7.499 -4.223 1.00 25.00 C ATOM 1978 OE1 GLU A 119 10.891 6.709 -3.644 1.00 25.00 O ATOM 1979 OE2 GLU A 119 12.303 8.379 -3.600 1.00 25.00 O ATOM 0 H GLU A 119 10.079 6.287 -8.431 1.00 25.00 H new ATOM 0 HA GLU A 119 9.917 5.703 -5.645 1.00 25.00 H new ATOM 0 HB2 GLU A 119 10.605 7.990 -7.437 1.00 25.00 H new ATOM 0 HB3 GLU A 119 9.918 8.469 -5.898 1.00 25.00 H new ATOM 0 HG2 GLU A 119 12.194 6.478 -6.042 1.00 25.00 H new ATOM 0 HG3 GLU A 119 12.494 8.204 -6.080 1.00 25.00 H new ATOM 1986 N HIS A 120 7.417 5.708 -5.563 1.00 25.00 N ATOM 1987 CA HIS A 120 6.071 5.880 -5.024 1.00 25.00 C ATOM 1988 C HIS A 120 6.143 6.592 -3.668 1.00 25.00 C ATOM 1989 O HIS A 120 5.150 7.111 -3.170 1.00 25.00 O ATOM 1990 CB HIS A 120 5.369 4.519 -4.878 1.00 25.00 C ATOM 1991 CG HIS A 120 5.903 3.676 -3.754 1.00 25.00 C ATOM 1992 ND1 HIS A 120 6.975 2.780 -3.885 1.00 25.00 N ATOM 1993 CD2 HIS A 120 5.521 3.567 -2.453 1.00 25.00 C ATOM 1994 CE1 HIS A 120 7.193 2.204 -2.701 1.00 25.00 C ATOM 1995 NE2 HIS A 120 6.334 2.670 -1.833 1.00 25.00 N ATOM 0 H HIS A 120 7.748 4.743 -5.564 1.00 25.00 H new ATOM 0 HA HIS A 120 5.490 6.490 -5.716 1.00 25.00 H new ATOM 0 HB2 HIS A 120 4.304 4.686 -4.720 1.00 25.00 H new ATOM 0 HB3 HIS A 120 5.470 3.967 -5.813 1.00 25.00 H new ATOM 0 HD2 HIS A 120 4.707 4.104 -1.989 1.00 25.00 H new ATOM 0 HE1 HIS A 120 7.957 1.470 -2.493 1.00 25.00 H new ATOM 0 HE2 HIS A 120 6.282 2.404 -0.850 1.00 25.00 H new ATOM 2003 N HIS A 121 7.329 6.627 -3.075 1.00 25.00 N ATOM 2004 CA HIS A 121 7.541 7.349 -1.824 1.00 25.00 C ATOM 2005 C HIS A 121 7.807 8.797 -2.218 1.00 25.00 C ATOM 2006 O HIS A 121 8.684 9.086 -3.023 1.00 25.00 O ATOM 2007 CB HIS A 121 8.696 6.704 -1.031 1.00 25.00 C ATOM 2008 CG HIS A 121 9.704 7.678 -0.496 1.00 25.00 C ATOM 2009 ND1 HIS A 121 10.858 8.039 -1.190 1.00 25.00 N ATOM 2010 CD2 HIS A 121 9.780 8.368 0.674 1.00 25.00 C ATOM 2011 CE1 HIS A 121 11.557 8.889 -0.460 1.00 25.00 C ATOM 2012 NE2 HIS A 121 10.929 9.104 0.666 1.00 25.00 N ATOM 0 H HIS A 121 8.161 6.164 -3.440 1.00 25.00 H new ATOM 0 HA HIS A 121 6.679 7.308 -1.158 1.00 25.00 H new ATOM 0 HB2 HIS A 121 8.277 6.140 -0.198 1.00 25.00 H new ATOM 0 HB3 HIS A 121 9.207 5.989 -1.675 1.00 25.00 H new ATOM 0 HD1 HIS A 121 11.121 7.700 -2.115 1.00 25.00 H new ATOM 0 HD2 HIS A 121 9.054 8.338 1.473 1.00 25.00 H new ATOM 0 HE1 HIS A 121 12.498 9.335 -0.748 1.00 25.00 H new ATOM 2020 N HIS A 122 6.969 9.700 -1.734 1.00 25.00 N ATOM 2021 CA HIS A 122 7.067 11.117 -2.090 1.00 25.00 C ATOM 2022 C HIS A 122 6.729 11.928 -0.853 1.00 25.00 C ATOM 2023 O HIS A 122 6.180 11.393 0.104 1.00 25.00 O ATOM 2024 CB HIS A 122 6.076 11.444 -3.222 1.00 25.00 C ATOM 2025 CG HIS A 122 6.725 11.615 -4.564 1.00 25.00 C ATOM 2026 ND1 HIS A 122 7.482 10.621 -5.194 1.00 25.00 N ATOM 2027 CD2 HIS A 122 6.738 12.658 -5.439 1.00 25.00 C ATOM 2028 CE1 HIS A 122 7.901 11.077 -6.365 1.00 25.00 C ATOM 2029 NE2 HIS A 122 7.466 12.298 -6.532 1.00 25.00 N ATOM 0 H HIS A 122 6.208 9.481 -1.091 1.00 25.00 H new ATOM 0 HA HIS A 122 8.072 11.355 -2.438 1.00 25.00 H new ATOM 0 HB2 HIS A 122 5.336 10.647 -3.286 1.00 25.00 H new ATOM 0 HB3 HIS A 122 5.539 12.358 -2.969 1.00 25.00 H new ATOM 0 HD1 HIS A 122 7.679 9.695 -4.813 1.00 25.00 H new ATOM 0 HD2 HIS A 122 6.252 13.611 -5.291 1.00 25.00 H new ATOM 0 HE1 HIS A 122 8.506 10.527 -7.070 1.00 25.00 H new ATOM 2037 N HIS A 123 7.026 13.219 -0.871 1.00 25.00 N ATOM 2038 CA HIS A 123 6.598 14.094 0.221 1.00 25.00 C ATOM 2039 C HIS A 123 5.077 14.186 0.106 1.00 25.00 C ATOM 2040 O HIS A 123 4.567 14.436 -0.975 1.00 25.00 O ATOM 2041 CB HIS A 123 7.206 15.502 0.070 1.00 25.00 C ATOM 2042 CG HIS A 123 8.459 15.718 0.865 1.00 25.00 C ATOM 2043 ND1 HIS A 123 8.465 16.238 2.162 1.00 25.00 N ATOM 2044 CD2 HIS A 123 9.774 15.525 0.568 1.00 25.00 C ATOM 2045 CE1 HIS A 123 9.719 16.337 2.584 1.00 25.00 C ATOM 2046 NE2 HIS A 123 10.520 15.911 1.643 1.00 25.00 N ATOM 0 H HIS A 123 7.552 13.682 -1.613 1.00 25.00 H new ATOM 0 HA HIS A 123 6.921 13.700 1.185 1.00 25.00 H new ATOM 0 HB2 HIS A 123 7.422 15.682 -0.983 1.00 25.00 H new ATOM 0 HB3 HIS A 123 6.464 16.241 0.374 1.00 25.00 H new ATOM 0 HD1 HIS A 123 7.638 16.500 2.698 1.00 25.00 H new ATOM 0 HD2 HIS A 123 10.161 15.133 -0.361 1.00 25.00 H new ATOM 0 HE1 HIS A 123 10.028 16.710 3.549 1.00 25.00 H new ATOM 2054 N HIS A 124 4.362 14.007 1.211 1.00 25.00 N ATOM 2055 CA HIS A 124 2.898 14.205 1.221 1.00 25.00 C ATOM 2056 C HIS A 124 2.633 15.557 1.881 1.00 25.00 C ATOM 2057 O HIS A 124 1.519 16.092 1.857 1.00 25.00 O ATOM 2058 CB HIS A 124 2.183 13.064 1.959 1.00 25.00 C ATOM 2059 CG HIS A 124 0.935 12.594 1.270 1.00 25.00 C ATOM 2060 ND1 HIS A 124 -0.187 13.404 1.061 1.00 25.00 N ATOM 2061 CD2 HIS A 124 0.599 11.394 0.712 1.00 25.00 C ATOM 2062 CE1 HIS A 124 -1.114 12.697 0.415 1.00 25.00 C ATOM 2063 NE2 HIS A 124 -0.660 11.490 0.198 1.00 25.00 N ATOM 0 H HIS A 124 4.758 13.728 2.109 1.00 25.00 H new ATOM 0 HA HIS A 124 2.503 14.196 0.205 1.00 25.00 H new ATOM 0 HB2 HIS A 124 2.869 12.224 2.064 1.00 25.00 H new ATOM 0 HB3 HIS A 124 1.930 13.396 2.966 1.00 25.00 H new ATOM 0 HD2 HIS A 124 1.226 10.515 0.683 1.00 25.00 H new ATOM 0 HE1 HIS A 124 -2.086 13.063 0.118 1.00 25.00 H new ATOM 0 HE2 HIS A 124 -1.165 10.743 -0.278 1.00 25.00 H new ATOM 2071 N HIS A 125 3.708 16.095 2.439 1.00 25.00 N ATOM 2072 CA HIS A 125 3.805 17.428 3.012 1.00 25.00 C ATOM 2073 C HIS A 125 5.287 17.489 3.303 1.00 25.00 C ATOM 2074 O HIS A 125 5.823 18.527 3.694 1.00 25.00 O ATOM 2075 CB HIS A 125 2.999 17.587 4.299 1.00 25.00 C ATOM 2076 CG HIS A 125 2.057 18.745 4.255 1.00 25.00 C ATOM 2077 ND1 HIS A 125 0.957 18.802 3.399 1.00 25.00 N ATOM 2078 CD2 HIS A 125 2.036 19.927 4.927 1.00 25.00 C ATOM 2079 CE1 HIS A 125 0.336 19.963 3.579 1.00 25.00 C ATOM 2080 NE2 HIS A 125 0.969 20.650 4.493 1.00 25.00 N ATOM 2081 OXT HIS A 125 5.903 16.411 3.101 1.00 25.00 O ATOM 0 H HIS A 125 4.587 15.582 2.507 1.00 25.00 H new ATOM 0 HA HIS A 125 3.414 18.211 2.362 1.00 25.00 H new ATOM 0 HB2 HIS A 125 2.435 16.673 4.484 1.00 25.00 H new ATOM 0 HB3 HIS A 125 3.684 17.714 5.137 1.00 25.00 H new ATOM 0 HD1 HIS A 125 0.676 18.073 2.743 1.00 25.00 H new ATOM 0 HD2 HIS A 125 2.746 20.239 5.678 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -0.550 20.287 3.054 1.00 25.00 H new TER 2089 HIS A 125