USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 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 18 TYR OH : rot 150:sc= -0.762 USER MOD Set 1.2: A 75 THR OG1 : rot 112:sc= 0.697 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot -21:sc= 0.933 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.1!) USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.697 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 2.33 (180deg=1.91) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.408 USER MOD Single : A 32 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.63) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 68:sc= 1.1 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 20:sc= 0.502 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.512 K(o=-0.51,f=-2.2) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 67 SER OG : rot 108:sc= 1.27 USER MOD Single : A 70 HIS : no HD1:sc= 0.926 K(o=0.93,f=-3.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.998 K(o=-1,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.295 K(o=0.3,f=-2.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 54:sc= 0.461 USER MOD Single : A 92 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.3) USER MOD Single : A 94 THR OG1 : rot 137:sc= 1.17 USER MOD Single : A 96 TYR OH : rot 30:sc= -2.54! USER MOD Single : A 97 CYS SG : rot -32:sc= -0.017 USER MOD Single : A 103 CYS SG : rot -148:sc= -0.929 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0801) USER MOD Single : A 108 HIS : no HD1:sc= 1.15 K(o=1.2,f=-3.9!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 90:sc= 1.28 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 120 HIS : no HD1:sc= 0.179 K(o=0.18,f=-1.2) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 122 HIS : no HD1:sc= 1.04 K(o=1,f=-6.8!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.694 9.700 -15.897 1.00 0.00 N ATOM 2 CA MET A 1 -12.971 9.918 -15.191 1.00 0.00 C ATOM 3 C MET A 1 -14.021 8.895 -15.632 1.00 0.00 C ATOM 4 O MET A 1 -14.681 8.269 -14.796 1.00 0.00 O ATOM 5 CB MET A 1 -13.472 11.358 -15.437 1.00 0.00 C ATOM 6 CG MET A 1 -14.736 11.749 -14.665 1.00 0.00 C ATOM 7 SD MET A 1 -16.256 11.103 -15.401 1.00 0.00 S ATOM 8 CE MET A 1 -17.485 11.802 -14.298 1.00 0.00 C ATOM 0 H1 MET A 1 -10.998 10.405 -15.581 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.339 8.745 -15.686 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.843 9.795 -16.922 1.00 0.00 H new ATOM 0 HA MET A 1 -12.804 9.784 -14.122 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.675 12.053 -15.173 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.663 11.482 -16.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.654 11.385 -13.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.800 12.836 -14.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.480 11.494 -14.620 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.306 11.448 -13.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.417 12.890 -14.320 1.00 0.00 H new ATOM 20 N SER A 2 -14.164 8.719 -16.941 1.00 0.00 N ATOM 21 CA SER A 2 -15.159 7.808 -17.495 1.00 0.00 C ATOM 22 C SER A 2 -14.792 6.340 -17.251 1.00 0.00 C ATOM 23 O SER A 2 -15.670 5.478 -17.207 1.00 0.00 O ATOM 24 CB SER A 2 -15.351 8.073 -18.998 1.00 0.00 C ATOM 25 OG SER A 2 -16.418 7.296 -19.527 1.00 0.00 O ATOM 0 H SER A 2 -13.599 9.199 -17.642 1.00 0.00 H new ATOM 0 HA SER A 2 -16.100 7.998 -16.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.554 9.132 -19.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.429 7.840 -19.531 1.00 0.00 H new ATOM 0 HG SER A 2 -16.518 7.486 -20.483 1.00 0.00 H new ATOM 31 N LEU A 3 -13.500 6.059 -17.111 1.00 0.00 N ATOM 32 CA LEU A 3 -13.036 4.696 -16.871 1.00 0.00 C ATOM 33 C LEU A 3 -13.586 4.186 -15.538 1.00 0.00 C ATOM 34 O LEU A 3 -14.051 3.048 -15.435 1.00 0.00 O ATOM 35 CB LEU A 3 -11.484 4.649 -16.901 1.00 0.00 C ATOM 36 CG LEU A 3 -10.807 3.258 -16.813 1.00 0.00 C ATOM 37 CD1 LEU A 3 -10.792 2.724 -15.386 1.00 0.00 C ATOM 38 CD2 LEU A 3 -11.487 2.266 -17.749 1.00 0.00 C ATOM 0 H LEU A 3 -12.756 6.756 -17.159 1.00 0.00 H new ATOM 0 HA LEU A 3 -13.406 4.042 -17.661 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.151 5.127 -17.822 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.113 5.256 -16.075 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.771 3.381 -17.128 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.309 1.747 -15.368 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.241 3.413 -14.745 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.815 2.629 -15.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.995 1.296 -17.671 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.536 2.164 -17.472 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.416 2.627 -18.775 1.00 0.00 H new ATOM 50 N GLY A 4 -13.548 5.034 -14.531 1.00 0.00 N ATOM 51 CA GLY A 4 -14.054 4.646 -13.244 1.00 0.00 C ATOM 52 C GLY A 4 -14.312 5.820 -12.345 1.00 0.00 C ATOM 53 O GLY A 4 -13.428 6.235 -11.589 1.00 0.00 O ATOM 0 H GLY A 4 -13.176 5.982 -14.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.979 4.085 -13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.340 3.976 -12.764 1.00 0.00 H new ATOM 57 N SER A 5 -15.507 6.378 -12.430 1.00 0.00 N ATOM 58 CA SER A 5 -15.880 7.473 -11.564 1.00 0.00 C ATOM 59 C SER A 5 -16.077 6.936 -10.156 1.00 0.00 C ATOM 60 O SER A 5 -16.701 5.884 -9.969 1.00 0.00 O ATOM 61 CB SER A 5 -17.180 8.111 -12.047 1.00 0.00 C ATOM 62 OG SER A 5 -17.154 8.326 -13.456 1.00 0.00 O ATOM 0 H SER A 5 -16.230 6.089 -13.089 1.00 0.00 H new ATOM 0 HA SER A 5 -15.093 8.227 -11.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.022 7.468 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.335 9.060 -11.534 1.00 0.00 H new ATOM 0 HG SER A 5 -16.225 8.342 -13.767 1.00 0.00 H new ATOM 68 N GLU A 6 -15.560 7.636 -9.174 1.00 0.00 N ATOM 69 CA GLU A 6 -15.689 7.202 -7.818 1.00 0.00 C ATOM 70 C GLU A 6 -16.762 8.005 -7.111 1.00 0.00 C ATOM 71 O GLU A 6 -16.473 8.864 -6.279 1.00 0.00 O ATOM 72 CB GLU A 6 -14.355 7.311 -7.088 1.00 0.00 C ATOM 73 CG GLU A 6 -13.240 6.509 -7.736 1.00 0.00 C ATOM 74 CD GLU A 6 -11.963 6.529 -6.936 1.00 0.00 C ATOM 75 OE1 GLU A 6 -11.193 7.505 -7.055 1.00 0.00 O ATOM 76 OE2 GLU A 6 -11.725 5.570 -6.178 1.00 0.00 O ATOM 0 H GLU A 6 -15.047 8.509 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.987 6.153 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.059 8.359 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.484 6.973 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.568 5.477 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.045 6.906 -8.732 1.00 0.00 H new ATOM 83 N SER A 7 -17.999 7.737 -7.471 1.00 0.00 N ATOM 84 CA SER A 7 -19.139 8.416 -6.877 1.00 0.00 C ATOM 85 C SER A 7 -19.557 7.736 -5.570 1.00 0.00 C ATOM 86 O SER A 7 -20.578 8.077 -4.969 1.00 0.00 O ATOM 87 CB SER A 7 -20.304 8.446 -7.867 1.00 0.00 C ATOM 88 OG SER A 7 -19.920 9.065 -9.091 1.00 0.00 O ATOM 0 H SER A 7 -18.246 7.046 -8.180 1.00 0.00 H new ATOM 0 HA SER A 7 -18.851 9.441 -6.644 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.646 7.430 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 7 -21.143 8.987 -7.430 1.00 0.00 H new ATOM 0 HG SER A 7 -20.681 9.070 -9.708 1.00 0.00 H new ATOM 94 N GLU A 8 -18.751 6.776 -5.141 1.00 0.00 N ATOM 95 CA GLU A 8 -19.002 6.036 -3.909 1.00 0.00 C ATOM 96 C GLU A 8 -18.299 6.696 -2.729 1.00 0.00 C ATOM 97 O GLU A 8 -18.281 6.158 -1.617 1.00 0.00 O ATOM 98 CB GLU A 8 -18.538 4.584 -4.042 1.00 0.00 C ATOM 99 CG GLU A 8 -19.316 3.765 -5.060 1.00 0.00 C ATOM 100 CD GLU A 8 -18.993 4.135 -6.494 1.00 0.00 C ATOM 101 OE1 GLU A 8 -17.821 3.996 -6.901 1.00 0.00 O ATOM 102 OE2 GLU A 8 -19.912 4.557 -7.223 1.00 0.00 O ATOM 0 H GLU A 8 -17.906 6.487 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.077 6.046 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.483 4.576 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.616 4.100 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.101 2.707 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.384 3.902 -4.888 1.00 0.00 H new ATOM 109 N THR A 9 -17.722 7.865 -2.994 1.00 0.00 N ATOM 110 CA THR A 9 -16.981 8.658 -2.011 1.00 0.00 C ATOM 111 C THR A 9 -15.629 8.006 -1.669 1.00 0.00 C ATOM 112 O THR A 9 -14.570 8.611 -1.856 1.00 0.00 O ATOM 113 CB THR A 9 -17.808 8.897 -0.729 1.00 0.00 C ATOM 114 OG1 THR A 9 -19.147 9.276 -1.091 1.00 0.00 O ATOM 115 CG2 THR A 9 -17.191 10.007 0.103 1.00 0.00 C ATOM 0 H THR A 9 -17.756 8.299 -3.917 1.00 0.00 H new ATOM 0 HA THR A 9 -16.785 9.628 -2.467 1.00 0.00 H new ATOM 0 HB THR A 9 -17.820 7.977 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 -19.675 9.427 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.787 10.162 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.175 9.729 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.167 10.928 -0.479 1.00 0.00 H new ATOM 123 N GLY A 10 -15.678 6.781 -1.184 1.00 0.00 N ATOM 124 CA GLY A 10 -14.465 6.033 -0.889 1.00 0.00 C ATOM 125 C GLY A 10 -13.838 6.348 0.466 1.00 0.00 C ATOM 126 O GLY A 10 -13.659 5.455 1.288 1.00 0.00 O ATOM 0 H GLY A 10 -16.544 6.280 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.692 4.968 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.731 6.234 -1.670 1.00 0.00 H new ATOM 130 N ASN A 11 -13.534 7.621 0.710 1.00 0.00 N ATOM 131 CA ASN A 11 -12.831 8.028 1.940 1.00 0.00 C ATOM 132 C ASN A 11 -13.786 8.314 3.098 1.00 0.00 C ATOM 133 O ASN A 11 -13.373 8.815 4.153 1.00 0.00 O ATOM 134 CB ASN A 11 -11.910 9.239 1.677 1.00 0.00 C ATOM 135 CG ASN A 11 -12.639 10.461 1.127 1.00 0.00 C ATOM 136 OD1 ASN A 11 -13.812 10.692 1.416 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.945 11.240 0.320 1.00 0.00 N ATOM 0 H ASN A 11 -13.759 8.391 0.080 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.215 7.181 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.412 9.513 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.131 8.945 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.379 12.068 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.974 11.015 0.104 1.00 0.00 H new ATOM 144 N ALA A 12 -15.046 7.988 2.905 1.00 0.00 N ATOM 145 CA ALA A 12 -16.044 8.152 3.937 1.00 0.00 C ATOM 146 C ALA A 12 -16.667 6.812 4.252 1.00 0.00 C ATOM 147 O ALA A 12 -16.948 6.023 3.343 1.00 0.00 O ATOM 148 CB ALA A 12 -17.110 9.146 3.505 1.00 0.00 C ATOM 0 H ALA A 12 -15.405 7.603 2.031 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.564 8.545 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.850 9.253 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.647 10.113 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.598 8.786 2.599 1.00 0.00 H new ATOM 154 N VAL A 13 -16.881 6.549 5.524 1.00 0.00 N ATOM 155 CA VAL A 13 -17.452 5.286 5.948 1.00 0.00 C ATOM 156 C VAL A 13 -18.698 5.506 6.773 1.00 0.00 C ATOM 157 O VAL A 13 -18.892 6.574 7.357 1.00 0.00 O ATOM 158 CB VAL A 13 -16.451 4.451 6.787 1.00 0.00 C ATOM 159 CG1 VAL A 13 -15.238 4.067 5.965 1.00 0.00 C ATOM 160 CG2 VAL A 13 -16.037 5.206 8.042 1.00 0.00 C ATOM 0 H VAL A 13 -16.668 7.194 6.285 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.698 4.738 5.038 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.953 3.533 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.553 3.482 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.553 3.474 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.734 4.969 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.334 4.601 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.562 6.146 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.918 5.413 8.650 1.00 0.00 H new ATOM 170 N VAL A 14 -19.537 4.505 6.805 1.00 0.00 N ATOM 171 CA VAL A 14 -20.737 4.531 7.600 1.00 0.00 C ATOM 172 C VAL A 14 -20.599 3.523 8.721 1.00 0.00 C ATOM 173 O VAL A 14 -20.555 2.317 8.475 1.00 0.00 O ATOM 174 CB VAL A 14 -21.986 4.181 6.757 1.00 0.00 C ATOM 175 CG1 VAL A 14 -23.244 4.238 7.610 1.00 0.00 C ATOM 176 CG2 VAL A 14 -22.106 5.114 5.568 1.00 0.00 C ATOM 0 H VAL A 14 -19.407 3.642 6.277 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.867 5.539 7.995 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.872 3.163 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -24.110 3.989 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -23.161 3.524 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.363 5.243 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.990 4.852 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.194 6.142 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.219 5.020 4.941 1.00 0.00 H new ATOM 186 N VAL A 15 -20.499 4.008 9.938 1.00 0.00 N ATOM 187 CA VAL A 15 -20.369 3.132 11.077 1.00 0.00 C ATOM 188 C VAL A 15 -21.716 2.990 11.757 1.00 0.00 C ATOM 189 O VAL A 15 -22.367 3.988 12.073 1.00 0.00 O ATOM 190 CB VAL A 15 -19.333 3.659 12.096 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.993 2.581 13.118 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.076 4.144 11.388 1.00 0.00 C ATOM 0 H VAL A 15 -20.505 5.003 10.163 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.020 2.165 10.716 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.773 4.506 12.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.262 2.970 13.827 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.897 2.288 13.652 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.576 1.713 12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.362 4.510 12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.632 3.320 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.333 4.950 10.701 1.00 0.00 H new ATOM 202 N PHE A 16 -22.139 1.762 11.966 1.00 0.00 N ATOM 203 CA PHE A 16 -23.426 1.493 12.577 1.00 0.00 C ATOM 204 C PHE A 16 -23.357 0.268 13.475 1.00 0.00 C ATOM 205 O PHE A 16 -22.400 -0.505 13.409 1.00 0.00 O ATOM 206 CB PHE A 16 -24.508 1.317 11.494 1.00 0.00 C ATOM 207 CG PHE A 16 -24.230 0.208 10.504 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.474 0.452 9.367 1.00 0.00 C ATOM 209 CD2 PHE A 16 -24.726 -1.072 10.709 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.219 -0.554 8.455 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.474 -2.081 9.799 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.718 -1.821 8.672 1.00 0.00 C ATOM 0 H PHE A 16 -21.607 0.927 11.720 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.695 2.348 13.198 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.463 1.121 11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.615 2.255 10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.079 1.442 9.192 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -25.315 -1.282 11.589 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.630 -0.348 7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.868 -3.072 9.969 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.518 -2.610 7.962 1.00 0.00 H new ATOM 222 N GLY A 17 -24.372 0.100 14.316 1.00 0.00 N ATOM 223 CA GLY A 17 -24.410 -1.038 15.216 1.00 0.00 C ATOM 224 C GLY A 17 -24.449 -0.620 16.673 1.00 0.00 C ATOM 225 O GLY A 17 -24.706 -1.440 17.557 1.00 0.00 O ATOM 0 H GLY A 17 -25.169 0.732 14.390 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.286 -1.646 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.534 -1.664 15.043 1.00 0.00 H new ATOM 229 N TYR A 18 -24.214 0.653 16.922 1.00 0.00 N ATOM 230 CA TYR A 18 -24.221 1.177 18.277 1.00 0.00 C ATOM 231 C TYR A 18 -25.455 2.031 18.531 1.00 0.00 C ATOM 232 O TYR A 18 -26.135 2.441 17.591 1.00 0.00 O ATOM 233 CB TYR A 18 -22.930 1.946 18.577 1.00 0.00 C ATOM 234 CG TYR A 18 -22.535 2.966 17.534 1.00 0.00 C ATOM 235 CD1 TYR A 18 -23.085 4.245 17.518 1.00 0.00 C ATOM 236 CD2 TYR A 18 -21.596 2.652 16.568 1.00 0.00 C ATOM 237 CE1 TYR A 18 -22.706 5.167 16.570 1.00 0.00 C ATOM 238 CE2 TYR A 18 -21.219 3.569 15.623 1.00 0.00 C ATOM 239 CZ TYR A 18 -21.772 4.820 15.625 1.00 0.00 C ATOM 240 OH TYR A 18 -21.387 5.725 14.684 1.00 0.00 O ATOM 0 H TYR A 18 -24.015 1.347 16.202 1.00 0.00 H new ATOM 0 HA TYR A 18 -24.265 0.331 18.963 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -23.042 2.453 19.535 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.116 1.230 18.689 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -23.820 4.517 18.261 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.153 1.667 16.559 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -23.140 6.156 16.569 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -20.485 3.304 14.876 1.00 0.00 H new ATOM 0 HH TYR A 18 -20.459 5.549 14.421 1.00 0.00 H new ATOM 250 N ARG A 19 -25.754 2.278 19.805 1.00 0.00 N ATOM 251 CA ARG A 19 -26.967 3.000 20.173 1.00 0.00 C ATOM 252 C ARG A 19 -26.806 4.523 20.140 1.00 0.00 C ATOM 253 O ARG A 19 -27.097 5.160 19.138 1.00 0.00 O ATOM 254 CB ARG A 19 -27.466 2.553 21.552 1.00 0.00 C ATOM 255 CG ARG A 19 -28.788 3.185 21.953 1.00 0.00 C ATOM 256 CD ARG A 19 -29.313 2.630 23.269 1.00 0.00 C ATOM 257 NE ARG A 19 -28.621 3.196 24.435 1.00 0.00 N ATOM 258 CZ ARG A 19 -28.011 2.478 25.387 1.00 0.00 C ATOM 259 NH1 ARG A 19 -27.840 1.166 25.239 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.550 3.088 26.473 1.00 0.00 N ATOM 0 H ARG A 19 -25.176 1.990 20.594 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.708 2.748 19.414 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.575 1.468 21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.713 2.800 22.300 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -28.662 4.264 22.040 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -29.524 3.013 21.168 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -30.380 2.838 23.347 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.199 1.546 23.274 1.00 0.00 H new ATOM 0 HE ARG A 19 -28.604 4.212 24.526 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.175 0.700 24.396 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -27.374 0.627 25.969 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.662 4.096 26.578 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.084 2.548 27.202 1.00 0.00 H new ATOM 274 N GLU A 20 -26.337 5.091 21.248 1.00 0.00 N ATOM 275 CA GLU A 20 -26.254 6.542 21.393 1.00 0.00 C ATOM 276 C GLU A 20 -25.364 6.926 22.571 1.00 0.00 C ATOM 277 O GLU A 20 -24.292 7.488 22.394 1.00 0.00 O ATOM 278 CB GLU A 20 -27.659 7.111 21.613 1.00 0.00 C ATOM 279 CG GLU A 20 -27.699 8.602 21.897 1.00 0.00 C ATOM 280 CD GLU A 20 -29.084 9.073 22.270 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.496 8.856 23.434 1.00 0.00 O ATOM 282 OE2 GLU A 20 -29.766 9.661 21.413 1.00 0.00 O ATOM 0 H GLU A 20 -26.008 4.568 22.060 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.819 6.955 20.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -28.262 6.906 20.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.124 6.583 22.445 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.007 8.835 22.707 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -27.356 9.147 21.018 1.00 0.00 H new ATOM 289 N ALA A 21 -25.810 6.585 23.779 1.00 0.00 N ATOM 290 CA ALA A 21 -25.083 6.937 25.001 1.00 0.00 C ATOM 291 C ALA A 21 -23.837 6.072 25.189 1.00 0.00 C ATOM 292 O ALA A 21 -23.176 6.133 26.220 1.00 0.00 O ATOM 293 CB ALA A 21 -25.999 6.821 26.211 1.00 0.00 C ATOM 0 H ALA A 21 -26.672 6.065 23.939 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.752 7.971 24.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.446 7.085 27.112 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.845 7.498 26.093 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.362 5.797 26.295 1.00 0.00 H new ATOM 299 N ILE A 22 -23.519 5.289 24.182 1.00 0.00 N ATOM 300 CA ILE A 22 -22.359 4.410 24.222 1.00 0.00 C ATOM 301 C ILE A 22 -21.082 5.146 23.814 1.00 0.00 C ATOM 302 O ILE A 22 -20.003 4.550 23.764 1.00 0.00 O ATOM 303 CB ILE A 22 -22.566 3.185 23.291 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.846 3.626 21.836 1.00 0.00 C ATOM 305 CG2 ILE A 22 -23.700 2.315 23.811 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.598 3.940 21.011 1.00 0.00 C ATOM 0 H ILE A 22 -24.051 5.240 23.313 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.250 4.069 25.252 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.645 2.602 23.291 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.408 2.838 21.334 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.484 4.510 21.855 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -23.835 1.459 23.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.458 1.963 24.814 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.621 2.898 23.843 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.893 4.240 20.005 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.044 4.751 21.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.967 3.053 20.955 1.00 0.00 H new ATOM 318 N THR A 23 -21.207 6.441 23.532 1.00 0.00 N ATOM 319 CA THR A 23 -20.085 7.223 23.037 1.00 0.00 C ATOM 320 C THR A 23 -18.915 7.227 24.010 1.00 0.00 C ATOM 321 O THR A 23 -17.794 7.008 23.605 1.00 0.00 O ATOM 322 CB THR A 23 -20.489 8.668 22.744 1.00 0.00 C ATOM 323 OG1 THR A 23 -21.704 8.673 21.995 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.398 9.362 21.934 1.00 0.00 C ATOM 0 H THR A 23 -22.074 6.967 23.639 1.00 0.00 H new ATOM 0 HA THR A 23 -19.771 6.741 22.111 1.00 0.00 H new ATOM 0 HB THR A 23 -20.629 9.199 23.686 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.052 9.587 21.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -19.695 10.391 21.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.467 9.358 22.500 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.252 8.833 20.992 1.00 0.00 H new ATOM 332 N LYS A 24 -19.189 7.444 25.297 1.00 0.00 N ATOM 333 CA LYS A 24 -18.138 7.471 26.315 1.00 0.00 C ATOM 334 C LYS A 24 -17.263 6.214 26.233 1.00 0.00 C ATOM 335 O LYS A 24 -16.053 6.259 26.475 1.00 0.00 O ATOM 336 CB LYS A 24 -18.752 7.563 27.713 1.00 0.00 C ATOM 337 CG LYS A 24 -19.702 8.735 27.926 1.00 0.00 C ATOM 338 CD LYS A 24 -19.076 10.047 27.494 1.00 0.00 C ATOM 339 CE LYS A 24 -19.677 11.227 28.243 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.153 11.274 28.141 1.00 0.00 N ATOM 0 H LYS A 24 -20.129 7.604 25.659 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.519 8.348 26.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.290 6.637 27.918 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.946 7.632 28.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.620 8.567 27.363 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.979 8.793 28.979 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.001 10.013 27.670 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.220 10.184 26.422 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.391 11.170 29.293 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.260 12.154 27.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -21.477 12.257 28.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.449 10.905 27.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.572 10.693 28.895 1.00 0.00 H new ATOM 354 N GLN A 25 -17.892 5.111 25.896 1.00 0.00 N ATOM 355 CA GLN A 25 -17.223 3.835 25.796 1.00 0.00 C ATOM 356 C GLN A 25 -16.416 3.709 24.495 1.00 0.00 C ATOM 357 O GLN A 25 -15.192 3.588 24.520 1.00 0.00 O ATOM 358 CB GLN A 25 -18.260 2.720 25.878 1.00 0.00 C ATOM 359 CG GLN A 25 -18.952 2.646 27.214 1.00 0.00 C ATOM 360 CD GLN A 25 -20.037 1.595 27.266 1.00 0.00 C ATOM 361 OE1 GLN A 25 -20.702 1.312 26.270 1.00 0.00 O ATOM 362 NE2 GLN A 25 -20.218 1.008 28.426 1.00 0.00 N ATOM 0 H GLN A 25 -18.889 5.074 25.682 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.517 3.755 26.623 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.006 2.870 25.098 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.774 1.766 25.675 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.213 2.435 27.987 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.386 3.619 27.445 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.644 1.273 29.227 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.932 0.287 28.527 1.00 0.00 H new ATOM 371 N ILE A 26 -17.112 3.768 23.370 1.00 0.00 N ATOM 372 CA ILE A 26 -16.505 3.560 22.058 1.00 0.00 C ATOM 373 C ILE A 26 -15.509 4.675 21.680 1.00 0.00 C ATOM 374 O ILE A 26 -14.558 4.443 20.920 1.00 0.00 O ATOM 375 CB ILE A 26 -17.605 3.419 20.974 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.101 2.573 19.821 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.071 4.785 20.469 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.194 2.138 18.876 1.00 0.00 C ATOM 0 H ILE A 26 -18.113 3.961 23.337 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.932 2.634 22.113 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.462 2.923 21.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.353 3.138 19.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.602 1.690 20.219 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.842 4.649 19.710 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.478 5.361 21.300 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.226 5.320 20.036 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.764 1.537 18.075 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.930 1.546 19.419 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.678 3.017 18.450 1.00 0.00 H new ATOM 390 N LEU A 27 -15.720 5.871 22.222 1.00 0.00 N ATOM 391 CA LEU A 27 -14.866 7.018 21.934 1.00 0.00 C ATOM 392 C LEU A 27 -13.439 6.767 22.384 1.00 0.00 C ATOM 393 O LEU A 27 -12.516 7.215 21.755 1.00 0.00 O ATOM 394 CB LEU A 27 -15.410 8.290 22.601 1.00 0.00 C ATOM 395 CG LEU A 27 -14.665 9.592 22.292 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.737 9.919 20.805 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.227 10.736 23.120 1.00 0.00 C ATOM 0 H LEU A 27 -16.483 6.071 22.869 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.867 7.162 20.854 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.451 8.413 22.304 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.402 8.140 23.681 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.617 9.456 22.558 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.201 10.848 20.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.282 9.111 20.232 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.779 10.033 20.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.686 11.653 22.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.283 10.869 22.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.115 10.507 24.180 1.00 0.00 H new ATOM 409 N ALA A 28 -13.276 6.024 23.467 1.00 0.00 N ATOM 410 CA ALA A 28 -11.951 5.768 24.033 1.00 0.00 C ATOM 411 C ALA A 28 -10.970 5.221 22.990 1.00 0.00 C ATOM 412 O ALA A 28 -9.788 5.560 23.005 1.00 0.00 O ATOM 413 CB ALA A 28 -12.059 4.807 25.202 1.00 0.00 C ATOM 0 H ALA A 28 -14.043 5.585 23.976 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.557 6.723 24.381 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.067 4.624 25.615 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.698 5.240 25.971 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.489 3.866 24.861 1.00 0.00 H new ATOM 419 N TYR A 29 -11.457 4.386 22.086 1.00 0.00 N ATOM 420 CA TYR A 29 -10.594 3.811 21.063 1.00 0.00 C ATOM 421 C TYR A 29 -10.535 4.677 19.800 1.00 0.00 C ATOM 422 O TYR A 29 -9.458 4.943 19.268 1.00 0.00 O ATOM 423 CB TYR A 29 -11.048 2.389 20.697 1.00 0.00 C ATOM 424 CG TYR A 29 -10.163 1.739 19.654 1.00 0.00 C ATOM 425 CD1 TYR A 29 -8.943 1.171 20.002 1.00 0.00 C ATOM 426 CD2 TYR A 29 -10.537 1.718 18.315 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.121 0.603 19.045 1.00 0.00 C ATOM 428 CE2 TYR A 29 -9.727 1.149 17.354 1.00 0.00 C ATOM 429 CZ TYR A 29 -8.517 0.594 17.722 1.00 0.00 C ATOM 430 OH TYR A 29 -7.693 0.038 16.763 1.00 0.00 O ATOM 0 H TYR A 29 -12.433 4.093 22.038 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.591 3.770 21.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.055 1.772 21.596 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.072 2.424 20.326 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.632 1.173 21.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.480 2.156 18.022 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.174 0.169 19.331 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.037 1.138 16.320 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.119 0.111 15.883 1.00 0.00 H new ATOM 440 N PHE A 30 -11.689 5.128 19.339 1.00 0.00 N ATOM 441 CA PHE A 30 -11.773 5.853 18.073 1.00 0.00 C ATOM 442 C PHE A 30 -11.449 7.344 18.194 1.00 0.00 C ATOM 443 O PHE A 30 -11.366 8.042 17.186 1.00 0.00 O ATOM 444 CB PHE A 30 -13.131 5.641 17.406 1.00 0.00 C ATOM 445 CG PHE A 30 -13.350 4.235 16.925 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.884 3.838 15.680 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.014 3.311 17.713 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.076 2.546 15.231 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.209 2.015 17.269 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.741 1.632 16.025 1.00 0.00 C ATOM 0 H PHE A 30 -12.582 5.008 19.818 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.997 5.428 17.436 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.919 5.901 18.113 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.222 6.324 16.561 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.364 4.548 15.054 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.384 3.605 18.684 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.707 2.251 14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.727 1.302 17.894 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.895 0.622 15.676 1.00 0.00 H new ATOM 460 N ALA A 31 -11.278 7.830 19.415 1.00 0.00 N ATOM 461 CA ALA A 31 -10.953 9.243 19.650 1.00 0.00 C ATOM 462 C ALA A 31 -9.674 9.641 18.945 1.00 0.00 C ATOM 463 O ALA A 31 -9.478 10.802 18.624 1.00 0.00 O ATOM 464 CB ALA A 31 -10.829 9.529 21.134 1.00 0.00 C ATOM 0 H ALA A 31 -11.358 7.271 20.265 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.771 9.835 19.241 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.588 10.582 21.283 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.773 9.299 21.629 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.037 8.912 21.559 1.00 0.00 H new ATOM 470 N GLN A 32 -8.804 8.669 18.709 1.00 0.00 N ATOM 471 CA GLN A 32 -7.556 8.916 18.011 1.00 0.00 C ATOM 472 C GLN A 32 -7.832 9.413 16.595 1.00 0.00 C ATOM 473 O GLN A 32 -7.088 10.225 16.050 1.00 0.00 O ATOM 474 CB GLN A 32 -6.719 7.648 17.972 1.00 0.00 C ATOM 475 CG GLN A 32 -5.365 7.825 17.307 1.00 0.00 C ATOM 476 CD GLN A 32 -4.478 6.625 17.504 1.00 0.00 C ATOM 477 OE1 GLN A 32 -3.675 6.277 16.640 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.603 5.996 18.648 1.00 0.00 N ATOM 0 H GLN A 32 -8.943 7.699 18.993 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.000 9.686 18.547 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.569 7.292 18.991 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.274 6.874 17.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.505 8.001 16.240 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.874 8.709 17.714 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.283 6.320 19.336 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.021 5.183 18.849 1.00 0.00 H new ATOM 487 N PHE A 33 -8.916 8.918 16.012 1.00 0.00 N ATOM 488 CA PHE A 33 -9.315 9.307 14.673 1.00 0.00 C ATOM 489 C PHE A 33 -9.962 10.691 14.681 1.00 0.00 C ATOM 490 O PHE A 33 -9.604 11.556 13.884 1.00 0.00 O ATOM 491 CB PHE A 33 -10.283 8.281 14.088 1.00 0.00 C ATOM 492 CG PHE A 33 -9.691 6.905 13.942 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.016 6.540 12.789 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.814 5.977 14.961 1.00 0.00 C ATOM 495 CE1 PHE A 33 -8.476 5.274 12.657 1.00 0.00 C ATOM 496 CE2 PHE A 33 -9.278 4.711 14.838 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.607 4.360 13.684 1.00 0.00 C ATOM 0 H PHE A 33 -9.537 8.240 16.454 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.421 9.346 14.050 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.165 8.222 14.726 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.619 8.628 13.111 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.910 7.252 11.984 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.337 6.247 15.866 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.953 5.000 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.383 3.998 15.642 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.185 3.371 13.584 1.00 0.00 H new ATOM 507 N GLY A 34 -10.911 10.904 15.592 1.00 0.00 N ATOM 508 CA GLY A 34 -11.564 12.195 15.665 1.00 0.00 C ATOM 509 C GLY A 34 -12.944 12.155 16.309 1.00 0.00 C ATOM 510 O GLY A 34 -13.164 11.451 17.295 1.00 0.00 O ATOM 0 H GLY A 34 -11.233 10.214 16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.931 12.880 16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.656 12.602 14.658 1.00 0.00 H new ATOM 514 N GLU A 35 -13.862 12.923 15.733 1.00 0.00 N ATOM 515 CA GLU A 35 -15.232 13.082 16.239 1.00 0.00 C ATOM 516 C GLU A 35 -16.168 11.989 15.698 1.00 0.00 C ATOM 517 O GLU A 35 -15.964 11.490 14.591 1.00 0.00 O ATOM 518 CB GLU A 35 -15.748 14.462 15.818 1.00 0.00 C ATOM 519 CG GLU A 35 -15.694 14.688 14.304 1.00 0.00 C ATOM 520 CD GLU A 35 -16.051 16.099 13.888 1.00 0.00 C ATOM 521 OE1 GLU A 35 -17.212 16.491 14.049 1.00 0.00 O ATOM 522 OE2 GLU A 35 -15.172 16.808 13.369 1.00 0.00 O ATOM 0 H GLU A 35 -13.678 13.464 14.888 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.217 12.991 17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.776 14.579 16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.157 15.231 16.315 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.691 14.456 13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.376 13.991 13.817 1.00 0.00 H new ATOM 529 N ILE A 36 -17.184 11.607 16.494 1.00 0.00 N ATOM 530 CA ILE A 36 -18.169 10.615 16.041 1.00 0.00 C ATOM 531 C ILE A 36 -19.598 11.023 16.426 1.00 0.00 C ATOM 532 O ILE A 36 -20.364 11.484 15.591 1.00 0.00 O ATOM 533 CB ILE A 36 -17.897 9.181 16.581 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.465 8.747 16.280 1.00 0.00 C ATOM 535 CG2 ILE A 36 -18.872 8.197 15.940 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.153 7.357 16.767 1.00 0.00 C ATOM 0 H ILE A 36 -17.341 11.964 17.437 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.066 10.592 14.956 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.037 9.189 17.662 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.296 8.795 15.204 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.774 9.451 16.743 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.679 7.194 16.320 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.894 8.487 16.183 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.740 8.207 14.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.120 7.109 16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.291 7.310 17.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.822 6.644 16.285 1.00 0.00 H new ATOM 548 N LEU A 37 -19.948 10.856 17.698 1.00 0.00 N ATOM 549 CA LEU A 37 -21.304 11.168 18.152 1.00 0.00 C ATOM 550 C LEU A 37 -21.395 12.544 18.803 1.00 0.00 C ATOM 551 O LEU A 37 -20.386 13.190 19.077 1.00 0.00 O ATOM 552 CB LEU A 37 -21.857 10.106 19.115 1.00 0.00 C ATOM 553 CG LEU A 37 -22.068 8.688 18.549 1.00 0.00 C ATOM 554 CD1 LEU A 37 -20.816 7.843 18.712 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.253 8.012 19.224 1.00 0.00 C ATOM 0 H LEU A 37 -19.322 10.511 18.426 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.918 11.170 17.251 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.178 10.034 19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.813 10.463 19.500 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.280 8.781 17.484 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.993 6.848 18.304 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.989 8.312 18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.567 7.762 19.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.385 7.012 18.811 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.069 7.940 20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.155 8.599 19.050 1.00 0.00 H new ATOM 567 N GLU A 38 -22.631 12.970 19.038 1.00 0.00 N ATOM 568 CA GLU A 38 -22.943 14.271 19.634 1.00 0.00 C ATOM 569 C GLU A 38 -22.539 14.327 21.113 1.00 0.00 C ATOM 570 O GLU A 38 -22.095 15.367 21.616 1.00 0.00 O ATOM 571 CB GLU A 38 -24.439 14.523 19.513 1.00 0.00 C ATOM 572 CG GLU A 38 -24.941 14.558 18.078 1.00 0.00 C ATOM 573 CD GLU A 38 -26.448 14.648 17.994 1.00 0.00 C ATOM 574 OE1 GLU A 38 -27.121 14.335 18.993 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.966 15.019 16.923 1.00 0.00 O ATOM 0 H GLU A 38 -23.459 12.416 18.818 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.378 15.036 19.101 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.974 13.744 20.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.679 15.471 19.995 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.500 15.411 17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.604 13.662 17.557 1.00 0.00 H new ATOM 582 N ASP A 39 -22.711 13.209 21.800 1.00 0.00 N ATOM 583 CA ASP A 39 -22.404 13.126 23.223 1.00 0.00 C ATOM 584 C ASP A 39 -20.920 12.933 23.439 1.00 0.00 C ATOM 585 O ASP A 39 -20.373 11.890 23.131 1.00 0.00 O ATOM 586 CB ASP A 39 -23.185 11.983 23.875 1.00 0.00 C ATOM 587 CG ASP A 39 -22.919 11.877 25.364 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.427 12.725 26.129 1.00 0.00 O ATOM 589 OD2 ASP A 39 -22.202 10.946 25.780 1.00 0.00 O ATOM 0 H ASP A 39 -23.063 12.342 21.395 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.703 14.064 23.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -24.252 12.134 23.709 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.918 11.043 23.393 1.00 0.00 H new ATOM 594 N LEU A 40 -20.274 13.950 23.964 1.00 0.00 N ATOM 595 CA LEU A 40 -18.848 13.905 24.196 1.00 0.00 C ATOM 596 C LEU A 40 -18.536 14.252 25.638 1.00 0.00 C ATOM 597 O LEU A 40 -18.182 13.382 26.431 1.00 0.00 O ATOM 598 CB LEU A 40 -18.125 14.883 23.256 1.00 0.00 C ATOM 599 CG LEU A 40 -18.268 14.608 21.754 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.636 15.730 20.952 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.637 13.273 21.389 1.00 0.00 C ATOM 0 H LEU A 40 -20.718 14.825 24.240 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.498 12.893 23.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.495 15.888 23.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.064 14.878 23.506 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.330 14.561 21.512 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.745 15.522 19.888 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.131 16.671 21.190 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.577 15.804 21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.750 13.098 20.319 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.577 13.289 21.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.131 12.474 21.942 1.00 0.00 H new ATOM 613 N GLU A 41 -18.716 15.538 25.974 1.00 0.00 N ATOM 614 CA GLU A 41 -18.418 16.078 27.307 1.00 0.00 C ATOM 615 C GLU A 41 -16.920 16.006 27.620 1.00 0.00 C ATOM 616 O GLU A 41 -16.237 17.026 27.661 1.00 0.00 O ATOM 617 CB GLU A 41 -19.241 15.377 28.391 1.00 0.00 C ATOM 618 CG GLU A 41 -20.729 15.658 28.295 1.00 0.00 C ATOM 619 CD GLU A 41 -21.527 14.920 29.340 1.00 0.00 C ATOM 620 OE1 GLU A 41 -21.488 13.672 29.359 1.00 0.00 O ATOM 621 OE2 GLU A 41 -22.207 15.584 30.148 1.00 0.00 O ATOM 0 H GLU A 41 -19.075 16.237 25.323 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.704 17.130 27.301 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.077 14.302 28.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.882 15.693 29.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.900 16.729 28.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.085 15.375 27.304 1.00 0.00 H new ATOM 628 N SER A 42 -16.426 14.808 27.825 1.00 0.00 N ATOM 629 CA SER A 42 -15.033 14.581 28.093 1.00 0.00 C ATOM 630 C SER A 42 -14.498 13.605 27.064 1.00 0.00 C ATOM 631 O SER A 42 -14.903 12.444 27.034 1.00 0.00 O ATOM 632 CB SER A 42 -14.858 14.029 29.503 1.00 0.00 C ATOM 633 OG SER A 42 -15.448 14.902 30.461 1.00 0.00 O ATOM 0 H SER A 42 -16.989 13.957 27.809 1.00 0.00 H new ATOM 0 HA SER A 42 -14.479 15.517 28.027 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.316 13.042 29.572 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.797 13.905 29.721 1.00 0.00 H new ATOM 0 HG SER A 42 -15.327 14.531 31.360 1.00 0.00 H new ATOM 639 N GLU A 43 -13.612 14.079 26.218 1.00 0.00 N ATOM 640 CA GLU A 43 -13.091 13.267 25.137 1.00 0.00 C ATOM 641 C GLU A 43 -11.822 12.517 25.552 1.00 0.00 C ATOM 642 O GLU A 43 -11.855 11.311 25.783 1.00 0.00 O ATOM 643 CB GLU A 43 -12.840 14.142 23.908 1.00 0.00 C ATOM 644 CG GLU A 43 -14.101 14.831 23.398 1.00 0.00 C ATOM 645 CD GLU A 43 -13.845 15.707 22.197 1.00 0.00 C ATOM 646 OE1 GLU A 43 -13.509 16.897 22.385 1.00 0.00 O ATOM 647 OE2 GLU A 43 -13.969 15.212 21.064 1.00 0.00 O ATOM 0 H GLU A 43 -13.235 15.026 26.256 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.835 12.511 24.886 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.094 14.898 24.153 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.421 13.528 23.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.843 14.075 23.139 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.528 15.436 24.198 1.00 0.00 H new ATOM 654 N LEU A 44 -10.710 13.229 25.658 1.00 0.00 N ATOM 655 CA LEU A 44 -9.457 12.607 26.021 1.00 0.00 C ATOM 656 C LEU A 44 -8.800 13.300 27.203 1.00 0.00 C ATOM 657 O LEU A 44 -8.426 12.652 28.180 1.00 0.00 O ATOM 658 CB LEU A 44 -8.507 12.588 24.829 1.00 0.00 C ATOM 659 CG LEU A 44 -8.893 11.652 23.682 1.00 0.00 C ATOM 660 CD1 LEU A 44 -7.959 11.836 22.499 1.00 0.00 C ATOM 661 CD2 LEU A 44 -8.877 10.204 24.146 1.00 0.00 C ATOM 0 H LEU A 44 -10.655 14.235 25.497 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.678 11.582 26.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.429 13.601 24.435 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.515 12.307 25.184 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.905 11.905 23.364 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.252 11.160 21.695 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.017 12.866 22.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.937 11.614 22.805 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.154 9.553 23.317 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.877 9.944 24.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.589 10.075 24.962 1.00 0.00 H new ATOM 673 N GLY A 45 -8.649 14.609 27.111 1.00 0.00 N ATOM 674 CA GLY A 45 -8.007 15.353 28.173 1.00 0.00 C ATOM 675 C GLY A 45 -6.507 15.454 27.979 1.00 0.00 C ATOM 676 O GLY A 45 -5.935 16.543 28.047 1.00 0.00 O ATOM 0 H GLY A 45 -8.960 15.172 26.319 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.433 16.355 28.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.216 14.872 29.128 1.00 0.00 H new ATOM 680 N ASP A 46 -5.865 14.318 27.732 1.00 0.00 N ATOM 681 CA ASP A 46 -4.416 14.284 27.540 1.00 0.00 C ATOM 682 C ASP A 46 -4.002 14.762 26.145 1.00 0.00 C ATOM 683 O ASP A 46 -3.414 15.835 26.003 1.00 0.00 O ATOM 684 CB ASP A 46 -3.827 12.882 27.862 1.00 0.00 C ATOM 685 CG ASP A 46 -4.528 11.729 27.146 1.00 0.00 C ATOM 686 OD1 ASP A 46 -4.263 11.514 25.943 1.00 0.00 O ATOM 687 OD2 ASP A 46 -5.342 11.033 27.788 1.00 0.00 O ATOM 0 H ASP A 46 -6.322 13.409 27.660 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.990 14.990 28.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.771 12.873 27.593 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.883 12.715 28.938 1.00 0.00 H new ATOM 692 N THR A 47 -4.304 13.982 25.134 1.00 0.00 N ATOM 693 CA THR A 47 -3.942 14.332 23.780 1.00 0.00 C ATOM 694 C THR A 47 -4.925 15.361 23.195 1.00 0.00 C ATOM 695 O THR A 47 -4.733 16.562 23.370 1.00 0.00 O ATOM 696 CB THR A 47 -3.872 13.077 22.883 1.00 0.00 C ATOM 697 OG1 THR A 47 -3.096 12.065 23.544 1.00 0.00 O ATOM 698 CG2 THR A 47 -3.229 13.405 21.539 1.00 0.00 C ATOM 0 H THR A 47 -4.802 13.096 25.224 1.00 0.00 H new ATOM 0 HA THR A 47 -2.951 14.785 23.808 1.00 0.00 H new ATOM 0 HB THR A 47 -4.886 12.719 22.706 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.582 11.742 24.331 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.191 12.505 20.925 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.819 14.167 21.030 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.217 13.777 21.701 1.00 0.00 H new ATOM 706 N GLU A 48 -5.991 14.867 22.523 1.00 0.00 N ATOM 707 CA GLU A 48 -7.040 15.707 21.913 1.00 0.00 C ATOM 708 C GLU A 48 -6.518 16.585 20.743 1.00 0.00 C ATOM 709 O GLU A 48 -7.208 16.763 19.740 1.00 0.00 O ATOM 710 CB GLU A 48 -7.700 16.582 22.971 1.00 0.00 C ATOM 711 CG GLU A 48 -8.874 17.381 22.455 1.00 0.00 C ATOM 712 CD GLU A 48 -9.437 18.313 23.496 1.00 0.00 C ATOM 713 OE1 GLU A 48 -8.930 19.438 23.621 1.00 0.00 O ATOM 714 OE2 GLU A 48 -10.387 17.924 24.201 1.00 0.00 O ATOM 0 H GLU A 48 -6.145 13.868 22.390 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.775 15.023 21.488 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.036 15.951 23.794 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.957 17.267 23.378 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.562 17.959 21.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.656 16.699 22.121 1.00 0.00 H new ATOM 721 N THR A 49 -5.303 17.086 20.878 1.00 0.00 N ATOM 722 CA THR A 49 -4.692 17.985 19.910 1.00 0.00 C ATOM 723 C THR A 49 -4.170 17.244 18.677 1.00 0.00 C ATOM 724 O THR A 49 -3.642 17.858 17.750 1.00 0.00 O ATOM 725 CB THR A 49 -3.542 18.765 20.572 1.00 0.00 C ATOM 726 OG1 THR A 49 -2.660 17.841 21.235 1.00 0.00 O ATOM 727 CG2 THR A 49 -4.085 19.756 21.589 1.00 0.00 C ATOM 0 H THR A 49 -4.702 16.877 21.675 1.00 0.00 H new ATOM 0 HA THR A 49 -5.467 18.675 19.575 1.00 0.00 H new ATOM 0 HB THR A 49 -3.000 19.313 19.801 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.926 18.335 21.656 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.257 20.298 22.047 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.749 20.462 21.090 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.638 19.220 22.360 1.00 0.00 H new ATOM 735 N MET A 50 -4.301 15.935 18.675 1.00 0.00 N ATOM 736 CA MET A 50 -3.896 15.137 17.533 1.00 0.00 C ATOM 737 C MET A 50 -5.060 14.267 17.075 1.00 0.00 C ATOM 738 O MET A 50 -5.118 13.076 17.379 1.00 0.00 O ATOM 739 CB MET A 50 -2.669 14.274 17.866 1.00 0.00 C ATOM 740 CG MET A 50 -2.155 13.450 16.692 1.00 0.00 C ATOM 741 SD MET A 50 -1.587 14.470 15.315 1.00 0.00 S ATOM 742 CE MET A 50 -1.088 13.206 14.146 1.00 0.00 C ATOM 0 H MET A 50 -4.685 15.398 19.452 1.00 0.00 H new ATOM 0 HA MET A 50 -3.614 15.809 16.722 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.867 14.922 18.221 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.922 13.602 18.686 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.335 12.816 17.030 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.948 12.788 16.344 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.712 13.678 13.238 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.303 12.592 14.587 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.945 12.579 13.901 1.00 0.00 H new ATOM 752 N ARG A 51 -6.011 14.889 16.391 1.00 0.00 N ATOM 753 CA ARG A 51 -7.201 14.199 15.898 1.00 0.00 C ATOM 754 C ARG A 51 -7.685 14.874 14.623 1.00 0.00 C ATOM 755 O ARG A 51 -7.217 15.966 14.293 1.00 0.00 O ATOM 756 CB ARG A 51 -8.337 14.253 16.933 1.00 0.00 C ATOM 757 CG ARG A 51 -7.993 13.699 18.305 1.00 0.00 C ATOM 758 CD ARG A 51 -9.209 13.687 19.203 1.00 0.00 C ATOM 759 NE ARG A 51 -9.740 15.025 19.449 1.00 0.00 N ATOM 760 CZ ARG A 51 -10.982 15.251 19.875 1.00 0.00 C ATOM 761 NH1 ARG A 51 -11.816 14.239 20.045 1.00 0.00 N ATOM 762 NH2 ARG A 51 -11.398 16.484 20.113 1.00 0.00 N ATOM 0 H ARG A 51 -5.982 15.882 16.162 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.936 13.159 15.709 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.653 15.290 17.047 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.191 13.701 16.540 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.600 12.687 18.205 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.207 14.303 18.759 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.985 13.070 18.749 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.949 13.223 20.154 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.130 15.826 19.287 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.508 13.286 19.850 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.767 14.411 20.371 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.766 17.272 19.971 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.351 16.647 20.439 1.00 0.00 H new ATOM 776 N THR A 52 -8.620 14.212 13.915 1.00 0.00 N ATOM 777 CA THR A 52 -9.281 14.745 12.700 1.00 0.00 C ATOM 778 C THR A 52 -8.300 15.095 11.549 1.00 0.00 C ATOM 779 O THR A 52 -7.096 15.255 11.759 1.00 0.00 O ATOM 780 CB THR A 52 -10.215 15.960 13.024 1.00 0.00 C ATOM 781 OG1 THR A 52 -9.526 16.958 13.780 1.00 0.00 O ATOM 782 CG2 THR A 52 -11.448 15.504 13.794 1.00 0.00 C ATOM 0 H THR A 52 -8.944 13.279 14.171 1.00 0.00 H new ATOM 0 HA THR A 52 -9.898 13.924 12.335 1.00 0.00 H new ATOM 0 HB THR A 52 -10.524 16.393 12.073 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.559 16.840 13.673 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.082 16.364 14.008 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.005 14.783 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.141 15.038 14.730 1.00 0.00 H new ATOM 790 N PRO A 53 -8.810 15.183 10.304 1.00 0.00 N ATOM 791 CA PRO A 53 -7.986 15.507 9.158 1.00 0.00 C ATOM 792 C PRO A 53 -7.734 17.014 9.002 1.00 0.00 C ATOM 793 O PRO A 53 -8.550 17.744 8.424 1.00 0.00 O ATOM 794 CB PRO A 53 -8.785 14.958 7.974 1.00 0.00 C ATOM 795 CG PRO A 53 -10.215 14.996 8.412 1.00 0.00 C ATOM 796 CD PRO A 53 -10.222 14.944 9.925 1.00 0.00 C ATOM 0 HA PRO A 53 -6.988 15.078 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.631 15.563 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.476 13.942 7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.702 15.904 8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.767 14.154 7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.881 15.703 10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.574 13.979 10.289 1.00 0.00 H new ATOM 804 N GLY A 54 -6.623 17.479 9.561 1.00 0.00 N ATOM 805 CA GLY A 54 -6.222 18.871 9.413 1.00 0.00 C ATOM 806 C GLY A 54 -6.914 19.829 10.374 1.00 0.00 C ATOM 807 O GLY A 54 -6.250 20.574 11.099 1.00 0.00 O ATOM 0 H GLY A 54 -5.985 16.913 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.144 18.944 9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.427 19.189 8.391 1.00 0.00 H new ATOM 811 N TYR A 55 -8.232 19.808 10.387 1.00 0.00 N ATOM 812 CA TYR A 55 -9.000 20.713 11.203 1.00 0.00 C ATOM 813 C TYR A 55 -9.932 19.991 12.130 1.00 0.00 C ATOM 814 O TYR A 55 -10.555 18.993 11.768 1.00 0.00 O ATOM 815 CB TYR A 55 -9.772 21.712 10.346 1.00 0.00 C ATOM 816 CG TYR A 55 -9.071 23.037 10.187 1.00 0.00 C ATOM 817 CD1 TYR A 55 -8.092 23.231 9.222 1.00 0.00 C ATOM 818 CD2 TYR A 55 -9.395 24.099 11.018 1.00 0.00 C ATOM 819 CE1 TYR A 55 -7.456 24.451 9.095 1.00 0.00 C ATOM 820 CE2 TYR A 55 -8.769 25.317 10.894 1.00 0.00 C ATOM 821 CZ TYR A 55 -7.802 25.491 9.935 1.00 0.00 C ATOM 822 OH TYR A 55 -7.178 26.709 9.813 1.00 0.00 O ATOM 0 H TYR A 55 -8.795 19.163 9.832 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.285 21.261 11.817 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.941 21.279 9.360 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.752 21.880 10.792 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.824 22.419 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.153 23.967 11.776 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.693 24.590 8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.037 26.133 11.548 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.540 27.330 10.479 1.00 0.00 H new ATOM 832 N PHE A 56 -10.007 20.514 13.323 1.00 0.00 N ATOM 833 CA PHE A 56 -10.859 19.988 14.377 1.00 0.00 C ATOM 834 C PHE A 56 -12.246 20.609 14.288 1.00 0.00 C ATOM 835 O PHE A 56 -12.497 21.494 13.458 1.00 0.00 O ATOM 836 CB PHE A 56 -10.254 20.316 15.749 1.00 0.00 C ATOM 837 CG PHE A 56 -8.873 19.773 15.967 1.00 0.00 C ATOM 838 CD1 PHE A 56 -7.758 20.518 15.611 1.00 0.00 C ATOM 839 CD2 PHE A 56 -8.686 18.527 16.537 1.00 0.00 C ATOM 840 CE1 PHE A 56 -6.488 20.026 15.818 1.00 0.00 C ATOM 841 CE2 PHE A 56 -7.416 18.030 16.744 1.00 0.00 C ATOM 842 CZ PHE A 56 -6.316 18.781 16.384 1.00 0.00 C ATOM 0 H PHE A 56 -9.470 21.334 13.605 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.935 18.907 14.256 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.228 21.399 15.871 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.911 19.924 16.525 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.887 21.494 15.167 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.544 17.937 16.823 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.628 20.615 15.537 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.283 17.054 17.187 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.321 18.394 16.546 1.00 0.00 H new ATOM 852 N PHE A 57 -13.129 20.164 15.153 1.00 0.00 N ATOM 853 CA PHE A 57 -14.478 20.684 15.214 1.00 0.00 C ATOM 854 C PHE A 57 -14.592 21.674 16.370 1.00 0.00 C ATOM 855 O PHE A 57 -13.947 21.506 17.414 1.00 0.00 O ATOM 856 CB PHE A 57 -15.490 19.538 15.381 1.00 0.00 C ATOM 857 CG PHE A 57 -15.340 18.771 16.633 1.00 0.00 C ATOM 858 CD1 PHE A 57 -14.420 17.757 16.719 1.00 0.00 C ATOM 859 CD2 PHE A 57 -16.122 19.061 17.727 1.00 0.00 C ATOM 860 CE1 PHE A 57 -14.279 17.046 17.872 1.00 0.00 C ATOM 861 CE2 PHE A 57 -15.988 18.354 18.883 1.00 0.00 C ATOM 862 CZ PHE A 57 -15.064 17.339 18.964 1.00 0.00 C ATOM 0 H PHE A 57 -12.933 19.431 15.835 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.704 21.200 14.281 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -16.498 19.951 15.340 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -15.391 18.856 14.537 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.802 17.521 15.865 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -16.849 19.857 17.668 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.550 16.251 17.930 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.607 18.590 19.736 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.955 16.775 19.879 1.00 0.00 H new ATOM 872 N GLN A 58 -15.383 22.705 16.180 1.00 0.00 N ATOM 873 CA GLN A 58 -15.558 23.720 17.197 1.00 0.00 C ATOM 874 C GLN A 58 -16.633 23.317 18.194 1.00 0.00 C ATOM 875 O GLN A 58 -17.624 22.676 17.831 1.00 0.00 O ATOM 876 CB GLN A 58 -15.901 25.082 16.574 1.00 0.00 C ATOM 877 CG GLN A 58 -14.779 25.694 15.736 1.00 0.00 C ATOM 878 CD GLN A 58 -14.572 24.988 14.406 1.00 0.00 C ATOM 879 OE1 GLN A 58 -15.520 24.474 13.806 1.00 0.00 O ATOM 880 NE2 GLN A 58 -13.339 24.947 13.945 1.00 0.00 N ATOM 0 H GLN A 58 -15.918 22.864 15.327 1.00 0.00 H new ATOM 0 HA GLN A 58 -14.610 23.814 17.727 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.786 24.969 15.947 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.163 25.777 17.372 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.004 26.744 15.551 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.850 25.662 16.305 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.583 25.384 14.472 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.140 24.478 13.061 1.00 0.00 H new ATOM 889 N GLN A 59 -16.425 23.695 19.451 1.00 0.00 N ATOM 890 CA GLN A 59 -17.381 23.422 20.524 1.00 0.00 C ATOM 891 C GLN A 59 -18.684 24.152 20.268 1.00 0.00 C ATOM 892 O GLN A 59 -19.761 23.687 20.650 1.00 0.00 O ATOM 893 CB GLN A 59 -16.792 23.847 21.872 1.00 0.00 C ATOM 894 CG GLN A 59 -17.689 23.577 23.070 1.00 0.00 C ATOM 895 CD GLN A 59 -17.085 24.080 24.368 1.00 0.00 C ATOM 896 OE1 GLN A 59 -16.345 25.067 24.385 1.00 0.00 O ATOM 897 NE2 GLN A 59 -17.400 23.416 25.459 1.00 0.00 N ATOM 0 H GLN A 59 -15.592 24.198 19.756 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.583 22.351 20.549 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.845 23.327 22.020 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -16.568 24.913 21.836 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.656 24.056 22.912 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.873 22.506 23.149 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.015 22.605 25.402 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -17.029 23.713 26.362 1.00 0.00 H new ATOM 906 N ALA A 60 -18.549 25.291 19.609 1.00 0.00 N ATOM 907 CA ALA A 60 -19.665 26.169 19.235 1.00 0.00 C ATOM 908 C ALA A 60 -20.251 26.911 20.435 1.00 0.00 C ATOM 909 O ALA A 60 -20.332 26.374 21.539 1.00 0.00 O ATOM 910 CB ALA A 60 -20.753 25.398 18.488 1.00 0.00 C ATOM 0 H ALA A 60 -17.642 25.647 19.308 1.00 0.00 H new ATOM 0 HA ALA A 60 -19.255 26.922 18.562 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -21.565 26.076 18.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -20.334 24.965 17.580 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -21.138 24.602 19.125 1.00 0.00 H new ATOM 916 N PRO A 61 -20.656 28.179 20.231 1.00 0.00 N ATOM 917 CA PRO A 61 -21.269 28.994 21.283 1.00 0.00 C ATOM 918 C PRO A 61 -22.691 28.530 21.599 1.00 0.00 C ATOM 919 O PRO A 61 -23.293 28.942 22.598 1.00 0.00 O ATOM 920 CB PRO A 61 -21.286 30.400 20.680 1.00 0.00 C ATOM 921 CG PRO A 61 -21.313 30.181 19.207 1.00 0.00 C ATOM 922 CD PRO A 61 -20.533 28.922 18.957 1.00 0.00 C ATOM 0 HA PRO A 61 -20.725 28.932 22.225 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -22.158 30.963 21.012 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.406 30.970 20.979 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -22.337 30.083 18.847 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.869 31.025 18.680 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -20.943 28.355 18.121 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -19.492 29.136 18.717 1.00 0.00 H new ATOM 930 N ASN A 62 -23.226 27.683 20.740 1.00 0.00 N ATOM 931 CA ASN A 62 -24.567 27.164 20.918 1.00 0.00 C ATOM 932 C ASN A 62 -24.513 25.701 21.337 1.00 0.00 C ATOM 933 O ASN A 62 -24.624 25.385 22.524 1.00 0.00 O ATOM 934 CB ASN A 62 -25.381 27.322 19.633 1.00 0.00 C ATOM 935 CG ASN A 62 -25.576 28.773 19.233 1.00 0.00 C ATOM 936 OD1 ASN A 62 -25.702 29.661 20.080 1.00 0.00 O ATOM 937 ND2 ASN A 62 -25.593 29.026 17.938 1.00 0.00 N ATOM 0 H ASN A 62 -22.748 27.339 19.907 1.00 0.00 H new ATOM 0 HA ASN A 62 -25.058 27.736 21.706 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -24.880 26.791 18.824 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.356 26.853 19.766 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.713 29.983 17.607 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.486 28.264 17.268 1.00 0.00 H new ATOM 944 N ARG A 63 -24.322 24.817 20.365 1.00 0.00 N ATOM 945 CA ARG A 63 -24.221 23.385 20.628 1.00 0.00 C ATOM 946 C ARG A 63 -23.163 22.733 19.796 1.00 0.00 C ATOM 947 O ARG A 63 -22.862 23.164 18.689 1.00 0.00 O ATOM 948 CB ARG A 63 -25.544 22.657 20.422 1.00 0.00 C ATOM 949 CG ARG A 63 -26.538 22.858 21.540 1.00 0.00 C ATOM 950 CD ARG A 63 -26.053 22.199 22.830 1.00 0.00 C ATOM 951 NE ARG A 63 -27.051 22.315 23.896 1.00 0.00 N ATOM 952 CZ ARG A 63 -27.096 21.544 24.987 1.00 0.00 C ATOM 953 NH1 ARG A 63 -26.180 20.598 25.180 1.00 0.00 N ATOM 954 NH2 ARG A 63 -28.059 21.724 25.886 1.00 0.00 N ATOM 0 H ARG A 63 -24.233 25.068 19.380 1.00 0.00 H new ATOM 0 HA ARG A 63 -23.944 23.304 21.679 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -25.991 22.996 19.487 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -25.347 21.591 20.313 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -26.691 23.924 21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -27.502 22.438 21.254 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -25.837 21.147 22.644 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -25.121 22.664 23.150 1.00 0.00 H new ATOM 0 HE ARG A 63 -27.764 23.038 23.799 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -25.439 20.458 24.494 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -26.219 20.013 26.014 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -28.762 22.449 25.742 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -28.095 21.137 26.719 1.00 0.00 H new ATOM 968 N ARG A 64 -22.631 21.672 20.330 1.00 0.00 N ATOM 969 CA ARG A 64 -21.593 20.916 19.691 1.00 0.00 C ATOM 970 C ARG A 64 -22.175 20.212 18.480 1.00 0.00 C ATOM 971 O ARG A 64 -23.307 19.715 18.529 1.00 0.00 O ATOM 972 CB ARG A 64 -21.079 19.893 20.683 1.00 0.00 C ATOM 973 CG ARG A 64 -20.706 20.516 22.007 1.00 0.00 C ATOM 974 CD ARG A 64 -20.338 19.477 23.030 1.00 0.00 C ATOM 975 NE ARG A 64 -20.726 19.906 24.373 1.00 0.00 N ATOM 976 CZ ARG A 64 -19.974 19.758 25.471 1.00 0.00 C ATOM 977 NH1 ARG A 64 -18.735 19.269 25.383 1.00 0.00 N ATOM 978 NH2 ARG A 64 -20.454 20.112 26.655 1.00 0.00 N ATOM 0 H ARG A 64 -22.911 21.301 21.238 1.00 0.00 H new ATOM 0 HA ARG A 64 -20.778 21.565 19.371 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -21.842 19.131 20.844 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.209 19.388 20.263 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.868 21.198 21.864 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -21.541 21.110 22.377 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.829 18.534 22.789 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -19.264 19.294 22.998 1.00 0.00 H new ATOM 0 HE ARG A 64 -21.637 20.351 24.481 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.354 19.005 24.474 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.169 19.160 26.224 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -21.396 20.497 26.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -19.882 19.999 27.492 1.00 0.00 H new ATOM 992 N ARG A 65 -21.434 20.177 17.404 1.00 0.00 N ATOM 993 CA ARG A 65 -21.905 19.534 16.205 1.00 0.00 C ATOM 994 C ARG A 65 -20.773 18.805 15.516 1.00 0.00 C ATOM 995 O ARG A 65 -19.614 19.202 15.618 1.00 0.00 O ATOM 996 CB ARG A 65 -22.565 20.559 15.252 1.00 0.00 C ATOM 997 CG ARG A 65 -21.646 21.690 14.796 1.00 0.00 C ATOM 998 CD ARG A 65 -20.787 21.288 13.604 1.00 0.00 C ATOM 999 NE ARG A 65 -19.862 22.350 13.212 1.00 0.00 N ATOM 1000 CZ ARG A 65 -18.602 22.151 12.812 1.00 0.00 C ATOM 1001 NH1 ARG A 65 -18.081 20.923 12.815 1.00 0.00 N ATOM 1002 NH2 ARG A 65 -17.860 23.185 12.434 1.00 0.00 N ATOM 0 H ARG A 65 -20.502 20.586 17.333 1.00 0.00 H new ATOM 0 HA ARG A 65 -22.663 18.802 16.484 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -22.934 20.032 14.372 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -23.432 20.992 15.751 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -22.247 22.560 14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -21.001 21.987 15.623 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -20.223 20.389 13.851 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.431 21.039 12.761 1.00 0.00 H new ATOM 0 HE ARG A 65 -20.202 23.311 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.644 20.131 13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.119 20.776 12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.252 24.127 12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.898 23.038 12.128 1.00 0.00 H new ATOM 1016 N ILE A 66 -21.115 17.758 14.815 1.00 0.00 N ATOM 1017 CA ILE A 66 -20.146 16.988 14.073 1.00 0.00 C ATOM 1018 C ILE A 66 -19.980 17.562 12.665 1.00 0.00 C ATOM 1019 O ILE A 66 -20.959 17.963 12.021 1.00 0.00 O ATOM 1020 CB ILE A 66 -20.525 15.481 14.022 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -19.651 14.726 13.000 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -22.003 15.306 13.738 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -19.890 13.234 12.951 1.00 0.00 C ATOM 0 H ILE A 66 -22.072 17.413 14.740 1.00 0.00 H new ATOM 0 HA ILE A 66 -19.191 17.060 14.593 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.327 15.045 15.001 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.831 15.143 12.009 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -18.602 14.906 13.235 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.244 14.243 13.707 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -22.584 15.787 14.525 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -22.245 15.761 12.778 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.233 12.785 12.206 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.681 12.800 13.929 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.929 13.041 12.683 1.00 0.00 H new ATOM 1035 N SER A 67 -18.738 17.640 12.222 1.00 0.00 N ATOM 1036 CA SER A 67 -18.391 18.200 10.925 1.00 0.00 C ATOM 1037 C SER A 67 -19.063 17.443 9.770 1.00 0.00 C ATOM 1038 O SER A 67 -19.499 18.048 8.790 1.00 0.00 O ATOM 1039 CB SER A 67 -16.872 18.189 10.763 1.00 0.00 C ATOM 1040 OG SER A 67 -16.246 18.822 11.871 1.00 0.00 O ATOM 0 H SER A 67 -17.933 17.314 12.757 1.00 0.00 H new ATOM 0 HA SER A 67 -18.760 19.225 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.518 17.162 10.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.595 18.701 9.841 1.00 0.00 H new ATOM 0 HG SER A 67 -15.814 18.145 12.433 1.00 0.00 H new ATOM 1046 N ARG A 68 -19.142 16.137 9.899 1.00 0.00 N ATOM 1047 CA ARG A 68 -19.739 15.288 8.878 1.00 0.00 C ATOM 1048 C ARG A 68 -21.187 14.932 9.214 1.00 0.00 C ATOM 1049 O ARG A 68 -21.611 15.029 10.361 1.00 0.00 O ATOM 1050 CB ARG A 68 -18.892 14.034 8.644 1.00 0.00 C ATOM 1051 CG ARG A 68 -17.521 14.333 8.038 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.647 14.846 6.605 1.00 0.00 C ATOM 1053 NE ARG A 68 -16.357 15.288 6.053 1.00 0.00 N ATOM 1054 CZ ARG A 68 -16.097 15.407 4.740 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.012 15.063 3.835 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -14.916 15.864 4.338 1.00 0.00 N ATOM 0 H ARG A 68 -18.796 15.628 10.713 1.00 0.00 H new ATOM 0 HA ARG A 68 -19.758 15.856 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.756 13.514 9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.433 13.357 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.005 15.075 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.911 13.430 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.058 14.058 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.354 15.676 6.580 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.611 15.519 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.919 14.706 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.806 15.157 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.209 16.124 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.717 15.955 3.342 1.00 0.00 H new ATOM 1070 N GLU A 69 -21.937 14.541 8.193 1.00 0.00 N ATOM 1071 CA GLU A 69 -23.358 14.230 8.332 1.00 0.00 C ATOM 1072 C GLU A 69 -23.540 12.908 9.094 1.00 0.00 C ATOM 1073 O GLU A 69 -22.906 11.900 8.773 1.00 0.00 O ATOM 1074 CB GLU A 69 -23.976 14.140 6.922 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.475 14.385 6.850 1.00 0.00 C ATOM 1076 CD GLU A 69 -26.301 13.189 7.238 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.355 12.220 6.450 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -26.917 13.222 8.310 1.00 0.00 O ATOM 0 H GLU A 69 -21.580 14.430 7.244 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.860 15.012 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.476 14.863 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -23.767 13.151 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.730 15.219 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.737 14.683 5.835 1.00 0.00 H new ATOM 1085 N HIS A 70 -24.400 12.930 10.109 1.00 0.00 N ATOM 1086 CA HIS A 70 -24.624 11.762 10.958 1.00 0.00 C ATOM 1087 C HIS A 70 -26.098 11.366 10.987 1.00 0.00 C ATOM 1088 O HIS A 70 -26.990 12.222 10.970 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.129 12.037 12.394 1.00 0.00 C ATOM 1090 CG HIS A 70 -24.975 13.025 13.169 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -24.995 14.379 12.902 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -25.829 12.843 14.209 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.819 14.981 13.740 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.337 14.077 14.541 1.00 0.00 N ATOM 0 H HIS A 70 -24.955 13.747 10.365 1.00 0.00 H new ATOM 0 HA HIS A 70 -24.057 10.934 10.533 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.099 11.095 12.942 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.106 12.411 12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.065 11.904 14.687 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.032 16.040 13.763 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.007 14.261 15.288 1.00 0.00 H new ATOM 1102 N GLY A 71 -26.342 10.073 11.058 1.00 0.00 N ATOM 1103 CA GLY A 71 -27.688 9.564 11.123 1.00 0.00 C ATOM 1104 C GLY A 71 -28.098 9.253 12.543 1.00 0.00 C ATOM 1105 O GLY A 71 -27.460 9.715 13.490 1.00 0.00 O ATOM 0 H GLY A 71 -25.617 9.355 11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -28.375 10.296 10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -27.766 8.662 10.516 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.162 8.480 12.700 1.00 0.00 N ATOM 1110 CA ARG A 72 -29.661 8.134 14.029 1.00 0.00 C ATOM 1111 C ARG A 72 -28.839 7.040 14.674 1.00 0.00 C ATOM 1112 O ARG A 72 -28.347 7.197 15.784 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.128 7.715 13.965 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.050 8.793 13.426 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.498 8.343 13.449 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.390 9.329 12.839 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.636 9.579 13.256 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -36.119 8.968 14.335 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.397 10.447 12.597 1.00 0.00 N ATOM 0 H ARG A 72 -29.697 8.080 11.929 1.00 0.00 H new ATOM 0 HA ARG A 72 -29.572 9.028 14.646 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.216 6.828 13.338 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.459 7.433 14.964 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.939 9.700 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -31.761 9.044 12.405 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.591 7.394 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -33.806 8.165 14.479 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.038 9.861 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -35.538 8.305 14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -37.070 9.163 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.031 10.923 11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.347 10.637 12.916 1.00 0.00 H new ATOM 1133 N THR A 73 -28.690 5.945 13.982 1.00 0.00 N ATOM 1134 CA THR A 73 -27.962 4.824 14.510 1.00 0.00 C ATOM 1135 C THR A 73 -26.689 4.564 13.720 1.00 0.00 C ATOM 1136 O THR A 73 -26.008 3.551 13.916 1.00 0.00 O ATOM 1137 CB THR A 73 -28.840 3.577 14.524 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.524 3.447 13.266 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.853 3.633 15.659 1.00 0.00 C ATOM 0 H THR A 73 -29.066 5.804 13.044 1.00 0.00 H new ATOM 0 HA THR A 73 -27.676 5.067 15.533 1.00 0.00 H new ATOM 0 HB THR A 73 -28.198 2.710 14.681 1.00 0.00 H new ATOM 0 HG1 THR A 73 -30.085 2.644 13.280 1.00 0.00 H new ATOM 0 HG21 THR A 73 -30.465 2.731 15.645 1.00 0.00 H new ATOM 0 HG22 THR A 73 -29.328 3.700 16.612 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.492 4.507 15.534 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.371 5.484 12.830 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.185 5.380 12.017 1.00 0.00 C ATOM 1149 C TRP A 74 -24.492 6.718 11.930 1.00 0.00 C ATOM 1150 O TRP A 74 -25.133 7.758 11.952 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.519 4.848 10.610 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.599 5.609 9.883 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -27.938 5.339 9.900 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.431 6.749 9.018 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.611 6.233 9.109 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -27.714 7.108 8.555 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.328 7.502 8.592 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -27.925 8.181 7.691 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.541 8.570 7.734 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -26.828 8.897 7.292 1.00 0.00 C ATOM 0 H TRP A 74 -26.928 6.320 12.654 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.510 4.667 12.490 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.612 4.867 10.006 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -25.824 3.805 10.695 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.400 4.537 10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.620 6.245 8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.331 7.255 8.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -28.917 8.438 7.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.700 9.160 7.401 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -26.959 9.733 6.621 1.00 0.00 H new ATOM 1171 N THR A 75 -23.197 6.686 11.856 1.00 0.00 N ATOM 1172 CA THR A 75 -22.412 7.888 11.760 1.00 0.00 C ATOM 1173 C THR A 75 -21.463 7.797 10.568 1.00 0.00 C ATOM 1174 O THR A 75 -20.728 6.815 10.425 1.00 0.00 O ATOM 1175 CB THR A 75 -21.613 8.099 13.065 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.521 8.166 14.175 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.782 9.363 13.028 1.00 0.00 C ATOM 0 H THR A 75 -22.649 5.826 11.860 1.00 0.00 H new ATOM 0 HA THR A 75 -23.078 8.739 11.613 1.00 0.00 H new ATOM 0 HB THR A 75 -20.933 7.254 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 75 -22.402 7.376 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.238 9.469 13.967 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.073 9.308 12.202 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.436 10.224 12.888 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.499 8.800 9.704 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.623 8.828 8.550 1.00 0.00 C ATOM 1187 C LYS A 76 -19.339 9.556 8.907 1.00 0.00 C ATOM 1188 O LYS A 76 -19.357 10.745 9.229 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.309 9.510 7.362 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.451 9.573 6.105 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.180 10.273 4.969 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.392 11.748 5.276 1.00 0.00 C ATOM 1193 NZ LYS A 76 -22.055 12.461 4.158 1.00 0.00 N ATOM 0 H LYS A 76 -22.125 9.602 9.782 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.389 7.804 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.232 8.977 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.589 10.523 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.522 10.100 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.179 8.563 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.607 10.170 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -22.144 9.792 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.997 11.847 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.430 12.216 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.180 13.462 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.467 12.390 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.985 12.032 3.975 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.238 8.846 8.856 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.959 9.415 9.214 1.00 0.00 C ATOM 1209 C LEU A 77 -16.053 9.527 8.006 1.00 0.00 C ATOM 1210 O LEU A 77 -15.872 8.563 7.257 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.283 8.576 10.299 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.064 8.430 11.607 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.313 7.538 12.581 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.326 9.792 12.225 1.00 0.00 C ATOM 0 H LEU A 77 -18.201 7.868 8.569 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.138 10.418 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.093 7.581 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.313 9.019 10.524 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.023 7.963 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.884 7.446 13.505 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.176 6.551 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.339 7.976 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.882 9.669 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.377 10.286 12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.907 10.400 11.532 1.00 0.00 H new ATOM 1226 N THR A 78 -15.503 10.700 7.809 1.00 0.00 N ATOM 1227 CA THR A 78 -14.581 10.925 6.731 1.00 0.00 C ATOM 1228 C THR A 78 -13.186 11.141 7.302 1.00 0.00 C ATOM 1229 O THR A 78 -12.923 12.151 7.953 1.00 0.00 O ATOM 1230 CB THR A 78 -14.997 12.149 5.889 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.335 11.964 5.404 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.054 12.340 4.705 1.00 0.00 C ATOM 0 H THR A 78 -15.683 11.519 8.390 1.00 0.00 H new ATOM 0 HA THR A 78 -14.586 10.051 6.080 1.00 0.00 H new ATOM 0 HB THR A 78 -14.947 13.036 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.600 12.742 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.368 13.209 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.039 12.494 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.081 11.453 4.072 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.306 10.190 7.066 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.948 10.272 7.585 1.00 0.00 C ATOM 1242 C TYR A 79 -10.047 11.002 6.606 1.00 0.00 C ATOM 1243 O TYR A 79 -9.012 11.550 6.993 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.390 8.872 7.864 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.253 8.050 8.798 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.227 8.260 10.169 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.106 7.072 8.301 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.024 7.514 11.018 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.905 6.327 9.142 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.859 6.552 10.500 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.653 5.809 11.344 1.00 0.00 O ATOM 0 H TYR A 79 -12.502 9.351 6.520 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.977 10.830 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.281 8.339 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.393 8.967 8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.575 9.017 10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.144 6.892 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.991 7.686 12.084 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.563 5.572 8.738 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.184 5.174 10.819 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.458 10.996 5.329 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.705 11.612 4.225 1.00 0.00 C ATOM 1263 C ALA A 80 -8.429 10.831 3.923 1.00 0.00 C ATOM 1264 O ALA A 80 -8.270 10.290 2.830 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.399 13.087 4.505 1.00 0.00 C ATOM 0 H ALA A 80 -11.330 10.560 5.030 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.337 11.573 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.842 13.508 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.333 13.635 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.804 13.169 5.415 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.542 10.755 4.898 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.293 10.032 4.745 1.00 0.00 C ATOM 1273 C ASN A 81 -6.539 8.541 4.825 1.00 0.00 C ATOM 1274 O ASN A 81 -7.194 8.051 5.752 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.284 10.446 5.821 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.872 11.909 5.727 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.565 12.543 6.739 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -4.853 12.451 4.521 1.00 0.00 N ATOM 0 H ASN A 81 -7.666 11.190 5.812 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.879 10.278 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.715 10.259 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.396 9.819 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.577 13.426 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.114 11.894 3.707 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.999 7.820 3.868 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.188 6.382 3.790 1.00 0.00 C ATOM 1287 C HIS A 82 -5.309 5.652 4.791 1.00 0.00 C ATOM 1288 O HIS A 82 -5.506 4.470 5.061 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.944 5.882 2.360 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.539 6.047 1.846 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.827 7.221 1.950 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.730 5.181 1.192 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -2.645 7.070 1.378 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -2.560 5.841 0.910 1.00 0.00 N ATOM 0 H HIS A 82 -5.419 8.208 3.124 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.223 6.163 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.207 4.825 2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.622 6.409 1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.963 4.157 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.878 7.827 1.306 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.758 5.446 0.420 1.00 0.00 H new ATOM 1302 N SER A 83 -4.354 6.366 5.343 1.00 0.00 N ATOM 1303 CA SER A 83 -3.446 5.805 6.335 1.00 0.00 C ATOM 1304 C SER A 83 -4.213 5.280 7.559 1.00 0.00 C ATOM 1305 O SER A 83 -3.958 4.173 8.034 1.00 0.00 O ATOM 1306 CB SER A 83 -2.451 6.870 6.775 1.00 0.00 C ATOM 1307 OG SER A 83 -1.776 7.427 5.660 1.00 0.00 O ATOM 0 H SER A 83 -4.180 7.347 5.123 1.00 0.00 H new ATOM 0 HA SER A 83 -2.918 4.968 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.973 7.657 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.726 6.434 7.462 1.00 0.00 H new ATOM 0 HG SER A 83 -1.144 8.110 5.968 1.00 0.00 H new ATOM 1313 N SER A 84 -5.161 6.069 8.046 1.00 0.00 N ATOM 1314 CA SER A 84 -5.951 5.692 9.213 1.00 0.00 C ATOM 1315 C SER A 84 -7.248 4.992 8.796 1.00 0.00 C ATOM 1316 O SER A 84 -7.913 4.346 9.610 1.00 0.00 O ATOM 1317 CB SER A 84 -6.263 6.936 10.041 1.00 0.00 C ATOM 1318 OG SER A 84 -5.072 7.644 10.348 1.00 0.00 O ATOM 0 H SER A 84 -5.403 6.977 7.650 1.00 0.00 H new ATOM 0 HA SER A 84 -5.372 4.992 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.946 7.584 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.769 6.648 10.962 1.00 0.00 H new ATOM 0 HG SER A 84 -5.291 8.439 10.877 1.00 0.00 H new ATOM 1324 N TYR A 85 -7.578 5.111 7.517 1.00 0.00 N ATOM 1325 CA TYR A 85 -8.810 4.555 6.963 1.00 0.00 C ATOM 1326 C TYR A 85 -8.867 3.032 7.126 1.00 0.00 C ATOM 1327 O TYR A 85 -9.869 2.486 7.579 1.00 0.00 O ATOM 1328 CB TYR A 85 -8.915 4.936 5.480 1.00 0.00 C ATOM 1329 CG TYR A 85 -10.135 4.397 4.768 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.325 5.106 4.765 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.091 3.185 4.088 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.436 4.627 4.105 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.199 2.696 3.430 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.369 3.422 3.440 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.477 2.947 2.779 1.00 0.00 O ATOM 0 H TYR A 85 -6.999 5.596 6.831 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.654 4.972 7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.916 6.023 5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.024 4.578 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.383 6.049 5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.173 2.617 4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.355 5.194 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.150 1.750 2.910 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.800 3.627 2.151 1.00 0.00 H new ATOM 1345 N LEU A 86 -7.779 2.361 6.773 1.00 0.00 N ATOM 1346 CA LEU A 86 -7.723 0.900 6.831 1.00 0.00 C ATOM 1347 C LEU A 86 -7.873 0.369 8.253 1.00 0.00 C ATOM 1348 O LEU A 86 -8.519 -0.649 8.472 1.00 0.00 O ATOM 1349 CB LEU A 86 -6.443 0.360 6.187 1.00 0.00 C ATOM 1350 CG LEU A 86 -6.470 0.253 4.659 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.438 1.625 4.005 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.327 -0.607 4.161 1.00 0.00 C ATOM 0 H LEU A 86 -6.921 2.802 6.443 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.575 0.537 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.612 1.004 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.238 -0.628 6.600 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.408 -0.225 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.458 1.512 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.306 2.201 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.527 2.147 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.366 -0.669 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.379 -0.164 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.413 -1.607 4.585 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.274 1.060 9.209 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.358 0.650 10.612 1.00 0.00 C ATOM 1366 C ARG A 87 -8.812 0.626 11.101 1.00 0.00 C ATOM 1367 O ARG A 87 -9.232 -0.316 11.780 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.521 1.577 11.505 1.00 0.00 C ATOM 1369 CG ARG A 87 -6.539 1.184 12.977 1.00 0.00 C ATOM 1370 CD ARG A 87 -5.710 2.132 13.822 1.00 0.00 C ATOM 1371 NE ARG A 87 -5.800 1.814 15.251 1.00 0.00 N ATOM 1372 CZ ARG A 87 -5.102 2.437 16.207 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -4.221 3.375 15.885 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -5.281 2.106 17.480 1.00 0.00 N ATOM 0 H ARG A 87 -6.725 1.904 9.046 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.956 -0.361 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.490 1.577 11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.892 2.597 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.567 1.178 13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.156 0.169 13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.668 2.084 13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.047 3.155 13.656 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.437 1.069 15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.075 3.623 14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.690 3.849 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.950 1.377 17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.749 2.580 18.210 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.572 1.654 10.743 1.00 0.00 N ATOM 1389 CA ALA A 88 -10.971 1.767 11.161 1.00 0.00 C ATOM 1390 C ALA A 88 -11.899 0.937 10.273 1.00 0.00 C ATOM 1391 O ALA A 88 -13.052 0.715 10.611 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.402 3.225 11.162 1.00 0.00 C ATOM 0 H ALA A 88 -9.245 2.426 10.162 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.047 1.370 12.173 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.444 3.296 11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.776 3.789 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.295 3.637 10.158 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.376 0.478 9.147 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.150 -0.286 8.157 1.00 0.00 C ATOM 1400 C LEU A 89 -12.586 -1.671 8.691 1.00 0.00 C ATOM 1401 O LEU A 89 -13.319 -2.403 8.020 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.335 -0.444 6.863 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.060 -1.088 5.672 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.245 -0.238 5.232 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.097 -1.306 4.516 1.00 0.00 C ATOM 0 H LEU A 89 -10.401 0.620 8.885 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.060 0.276 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.985 0.542 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.451 -1.040 7.087 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.441 -2.058 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.742 -0.716 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.949 -0.139 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.894 0.750 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.628 -1.763 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.683 -0.348 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.288 -1.964 4.835 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.104 -2.041 9.872 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.440 -3.338 10.456 1.00 0.00 C ATOM 1419 C ARG A 90 -13.935 -3.442 10.823 1.00 0.00 C ATOM 1420 O ARG A 90 -14.402 -2.846 11.789 1.00 0.00 O ATOM 1421 CB ARG A 90 -11.557 -3.646 11.679 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.636 -2.623 12.804 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.805 -3.063 13.995 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.351 -4.268 14.626 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.642 -5.121 15.369 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.334 -4.946 15.522 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -11.242 -6.161 15.935 1.00 0.00 N ATOM 0 H ARG A 90 -11.483 -1.467 10.442 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.240 -4.088 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.839 -4.622 12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.521 -3.723 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.283 -1.656 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.674 -2.491 13.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.781 -3.254 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.764 -2.256 14.727 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.341 -4.469 14.488 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.869 -4.158 15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.795 -5.599 16.090 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.243 -6.307 15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.702 -6.814 16.503 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.668 -4.199 10.021 1.00 0.00 N ATOM 1442 CA GLU A 91 -16.092 -4.443 10.246 1.00 0.00 C ATOM 1443 C GLU A 91 -16.338 -5.904 10.595 1.00 0.00 C ATOM 1444 O GLU A 91 -17.479 -6.355 10.681 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.906 -4.045 9.000 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.160 -4.219 7.674 1.00 0.00 C ATOM 1447 CD GLU A 91 -15.696 -5.634 7.425 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -16.529 -6.486 7.066 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -14.483 -5.902 7.587 1.00 0.00 O ATOM 0 H GLU A 91 -14.295 -4.664 9.193 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.417 -3.830 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.818 -4.642 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.210 -3.003 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.811 -3.910 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.296 -3.554 7.662 1.00 0.00 H new ATOM 1456 N HIS A 92 -15.261 -6.636 10.783 1.00 0.00 N ATOM 1457 CA HIS A 92 -15.336 -8.033 11.107 1.00 0.00 C ATOM 1458 C HIS A 92 -14.597 -8.304 12.403 1.00 0.00 C ATOM 1459 O HIS A 92 -13.569 -7.677 12.679 1.00 0.00 O ATOM 1460 CB HIS A 92 -14.736 -8.877 9.973 1.00 0.00 C ATOM 1461 CG HIS A 92 -13.257 -8.686 9.769 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -12.309 -9.535 10.298 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -12.565 -7.735 9.095 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -11.103 -9.113 9.961 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -11.233 -8.023 9.231 1.00 0.00 N ATOM 0 H HIS A 92 -14.310 -6.273 10.714 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.383 -8.308 11.230 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -14.929 -9.930 10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -15.252 -8.635 9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.987 -6.903 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.170 -9.581 10.237 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.466 -7.482 8.832 1.00 0.00 H new ATOM 1473 N GLY A 93 -15.134 -9.208 13.206 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.494 -9.570 14.453 1.00 0.00 C ATOM 1475 C GLY A 93 -14.428 -8.412 15.422 1.00 0.00 C ATOM 1476 O GLY A 93 -13.477 -8.291 16.192 1.00 0.00 O ATOM 0 H GLY A 93 -16.007 -9.700 13.015 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.039 -10.395 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.485 -9.929 14.250 1.00 0.00 H new ATOM 1480 N THR A 94 -15.423 -7.546 15.371 1.00 0.00 N ATOM 1481 CA THR A 94 -15.447 -6.386 16.226 1.00 0.00 C ATOM 1482 C THR A 94 -16.836 -6.180 16.825 1.00 0.00 C ATOM 1483 O THR A 94 -17.702 -5.538 16.226 1.00 0.00 O ATOM 1484 CB THR A 94 -15.017 -5.123 15.456 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.855 -5.424 14.659 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.676 -3.999 16.424 1.00 0.00 C ATOM 0 H THR A 94 -16.223 -7.629 14.744 1.00 0.00 H new ATOM 0 HA THR A 94 -14.738 -6.559 17.035 1.00 0.00 H new ATOM 0 HB THR A 94 -15.841 -4.805 14.817 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.955 -5.023 13.770 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.374 -3.115 15.863 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.551 -3.763 17.030 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.859 -4.313 17.073 1.00 0.00 H new ATOM 1494 N ILE A 95 -17.047 -6.747 17.997 1.00 0.00 N ATOM 1495 CA ILE A 95 -18.314 -6.624 18.692 1.00 0.00 C ATOM 1496 C ILE A 95 -18.130 -5.820 19.964 1.00 0.00 C ATOM 1497 O ILE A 95 -17.276 -6.137 20.791 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.914 -8.019 19.027 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -19.232 -8.781 17.736 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -20.167 -7.883 19.892 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -19.627 -10.228 17.954 1.00 0.00 C ATOM 0 H ILE A 95 -16.350 -7.303 18.492 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.012 -6.107 18.033 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.174 -8.583 19.595 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -20.041 -8.269 17.214 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.360 -8.748 17.083 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -20.567 -8.873 20.112 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.912 -7.379 20.824 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.917 -7.300 19.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -19.836 -10.697 16.992 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -18.811 -10.758 18.447 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -20.518 -10.272 18.580 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.918 -4.772 20.114 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.817 -3.925 21.278 1.00 0.00 C ATOM 1515 C TYR A 96 -20.202 -3.575 21.797 1.00 0.00 C ATOM 1516 O TYR A 96 -21.129 -3.369 21.014 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.037 -2.648 20.943 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.625 -1.859 22.164 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.451 -2.162 22.831 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.409 -0.824 22.655 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -16.064 -1.462 23.952 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -18.029 -0.115 23.778 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.854 -0.442 24.423 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.468 0.254 25.547 1.00 0.00 O ATOM 0 H TYR A 96 -19.633 -4.491 19.443 1.00 0.00 H new ATOM 0 HA TYR A 96 -18.279 -4.467 22.056 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.146 -2.914 20.374 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.649 -2.015 20.300 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.826 -2.963 22.465 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.330 -0.569 22.151 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.144 -1.714 24.458 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.647 0.689 24.148 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.490 0.265 25.605 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.340 -3.551 23.122 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.598 -3.200 23.805 1.00 0.00 C ATOM 1536 C CYS A 97 -22.678 -4.285 23.639 1.00 0.00 C ATOM 1537 O CYS A 97 -23.663 -4.306 24.376 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.124 -1.831 23.333 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.469 -1.158 24.339 1.00 0.00 S ATOM 0 H CYS A 97 -19.579 -3.776 23.763 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.369 -3.134 24.869 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.298 -1.120 23.330 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.469 -1.924 22.303 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.191 -2.133 24.806 1.00 0.00 H new ATOM 1545 N GLY A 98 -22.482 -5.189 22.696 1.00 0.00 N ATOM 1546 CA GLY A 98 -23.442 -6.253 22.489 1.00 0.00 C ATOM 1547 C GLY A 98 -23.671 -6.555 21.026 1.00 0.00 C ATOM 1548 O GLY A 98 -24.157 -7.634 20.681 1.00 0.00 O ATOM 0 H GLY A 98 -21.677 -5.207 22.070 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.093 -7.155 22.992 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.390 -5.977 22.952 1.00 0.00 H new ATOM 1552 N ALA A 99 -23.313 -5.619 20.164 1.00 0.00 N ATOM 1553 CA ALA A 99 -23.500 -5.798 18.737 1.00 0.00 C ATOM 1554 C ALA A 99 -22.226 -5.487 17.981 1.00 0.00 C ATOM 1555 O ALA A 99 -21.360 -4.760 18.477 1.00 0.00 O ATOM 1556 CB ALA A 99 -24.639 -4.927 18.236 1.00 0.00 C ATOM 0 H ALA A 99 -22.892 -4.728 20.428 1.00 0.00 H new ATOM 0 HA ALA A 99 -23.755 -6.842 18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.765 -5.074 17.163 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.560 -5.201 18.751 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.411 -3.880 18.434 1.00 0.00 H new ATOM 1562 N ALA A 100 -22.095 -6.060 16.801 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.941 -5.802 15.963 1.00 0.00 C ATOM 1564 C ALA A 100 -21.035 -4.424 15.359 1.00 0.00 C ATOM 1565 O ALA A 100 -22.094 -4.025 14.867 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.821 -6.849 14.861 1.00 0.00 C ATOM 0 H ALA A 100 -22.774 -6.708 16.401 1.00 0.00 H new ATOM 0 HA ALA A 100 -20.049 -5.859 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.947 -6.632 14.247 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -20.714 -7.837 15.308 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.716 -6.827 14.239 1.00 0.00 H new ATOM 1572 N ILE A 101 -19.947 -3.692 15.394 1.00 0.00 N ATOM 1573 CA ILE A 101 -19.925 -2.387 14.800 1.00 0.00 C ATOM 1574 C ILE A 101 -19.455 -2.495 13.362 1.00 0.00 C ATOM 1575 O ILE A 101 -18.359 -2.986 13.082 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.051 -1.378 15.600 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.602 -1.873 15.730 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -19.657 -1.128 16.976 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.672 -0.866 16.376 1.00 0.00 C ATOM 0 H ILE A 101 -19.070 -3.981 15.827 1.00 0.00 H new ATOM 0 HA ILE A 101 -20.941 -1.992 14.824 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.032 -0.438 15.048 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.592 -2.792 16.316 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.222 -2.123 14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.035 -0.420 17.524 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -20.660 -0.717 16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.710 -2.067 17.527 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -15.667 -1.284 16.434 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -16.652 0.046 15.779 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.027 -0.634 17.380 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.294 -2.068 12.453 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.975 -2.181 11.063 1.00 0.00 C ATOM 1593 C GLY A 102 -19.457 -0.898 10.497 1.00 0.00 C ATOM 1594 O GLY A 102 -20.189 0.082 10.407 1.00 0.00 O ATOM 0 H GLY A 102 -21.198 -1.641 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.229 -2.964 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.864 -2.487 10.512 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.194 -0.896 10.144 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.572 0.250 9.531 1.00 0.00 C ATOM 1600 C CYS A 103 -17.201 -0.090 8.095 1.00 0.00 C ATOM 1601 O CYS A 103 -16.235 -0.807 7.843 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.332 0.667 10.322 1.00 0.00 C ATOM 1603 SG CYS A 103 -15.503 2.141 9.695 1.00 0.00 S ATOM 0 H CYS A 103 -17.569 -1.691 10.275 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.271 1.087 9.532 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.620 0.841 11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.622 -0.160 10.323 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.225 2.045 9.912 1.00 0.00 H new ATOM 1609 N VAL A 104 -17.992 0.403 7.166 1.00 0.00 N ATOM 1610 CA VAL A 104 -17.788 0.129 5.753 1.00 0.00 C ATOM 1611 C VAL A 104 -17.875 1.416 4.948 1.00 0.00 C ATOM 1612 O VAL A 104 -18.411 2.409 5.435 1.00 0.00 O ATOM 1613 CB VAL A 104 -18.841 -0.881 5.220 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -18.581 -2.271 5.765 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.246 -0.430 5.583 1.00 0.00 C ATOM 0 H VAL A 104 -18.793 1.003 7.364 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.795 -0.307 5.640 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.754 -0.915 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -19.331 -2.960 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.590 -2.603 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -18.635 -2.251 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -20.969 -1.150 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.338 -0.363 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.440 0.548 5.142 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.350 1.424 3.703 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.410 2.604 2.838 1.00 0.00 C ATOM 1627 C PRO A 105 -18.851 3.041 2.584 1.00 0.00 C ATOM 1628 O PRO A 105 -19.767 2.214 2.605 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.740 2.140 1.530 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.733 0.651 1.605 1.00 0.00 C ATOM 1631 CD PRO A 105 -16.630 0.314 3.062 1.00 0.00 C ATOM 0 HA PRO A 105 -16.918 3.468 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.294 2.488 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.728 2.535 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.642 0.234 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.893 0.236 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.087 -0.649 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.593 0.260 3.393 1.00 0.00 H new ATOM 1639 N TYR A 106 -19.021 4.347 2.341 1.00 0.00 N ATOM 1640 CA TYR A 106 -20.333 5.000 2.187 1.00 0.00 C ATOM 1641 C TYR A 106 -21.397 4.119 1.502 1.00 0.00 C ATOM 1642 O TYR A 106 -22.355 3.717 2.152 1.00 0.00 O ATOM 1643 CB TYR A 106 -20.168 6.341 1.452 1.00 0.00 C ATOM 1644 CG TYR A 106 -21.450 7.133 1.315 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.952 7.860 2.386 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -22.153 7.159 0.119 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -23.119 8.588 2.273 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -23.322 7.883 -0.006 1.00 0.00 C ATOM 1649 CZ TYR A 106 -23.803 8.595 1.073 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.975 9.318 0.952 1.00 0.00 O ATOM 0 H TYR A 106 -18.238 4.993 2.244 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.712 5.176 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.435 6.947 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.763 6.151 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.419 7.856 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.779 6.603 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.495 9.148 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.857 7.892 -0.944 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.329 9.218 0.044 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.208 3.813 0.206 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.169 2.974 -0.560 1.00 0.00 C ATOM 1662 C LYS A 107 -23.560 3.630 -0.682 1.00 0.00 C ATOM 1663 O LYS A 107 -24.202 3.968 0.306 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.303 1.573 0.053 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.081 0.686 -0.115 1.00 0.00 C ATOM 1666 CD LYS A 107 -21.289 -0.655 0.574 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.098 -1.576 0.384 1.00 0.00 C ATOM 1668 NZ LYS A 107 -19.968 -2.027 -1.024 1.00 0.00 N ATOM 0 H LYS A 107 -20.405 4.129 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.756 2.882 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -22.517 1.676 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.161 1.075 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.883 0.529 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.205 1.183 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -21.458 -0.494 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.185 -1.133 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -19.187 -1.059 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.202 -2.444 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.242 -2.769 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.879 -2.406 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.692 -1.222 -1.622 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.025 3.785 -1.907 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.324 4.408 -2.158 1.00 0.00 C ATOM 1684 C HIS A 108 -26.474 3.545 -1.650 1.00 0.00 C ATOM 1685 O HIS A 108 -27.402 4.048 -1.016 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.510 4.701 -3.649 1.00 0.00 C ATOM 1687 CG HIS A 108 -24.733 5.885 -4.134 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -25.328 6.992 -4.700 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -23.399 6.134 -4.147 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -24.394 7.866 -5.036 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -23.220 7.369 -4.710 1.00 0.00 N ATOM 0 H HIS A 108 -23.528 3.491 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.339 5.348 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -25.212 3.823 -4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -26.569 4.867 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.622 5.479 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -24.566 8.826 -5.500 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -22.321 7.830 -4.854 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.401 2.248 -1.919 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.461 1.320 -1.522 1.00 0.00 C ATOM 1701 C GLU A 109 -27.500 1.144 -0.003 1.00 0.00 C ATOM 1702 O GLU A 109 -28.570 1.005 0.589 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.268 -0.036 -2.201 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.459 -0.974 -2.051 1.00 0.00 C ATOM 1705 CD GLU A 109 -29.692 -0.452 -2.760 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -29.643 -0.287 -4.002 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -30.716 -0.203 -2.088 1.00 0.00 O ATOM 0 H GLU A 109 -25.621 1.811 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.412 1.745 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.075 0.124 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.383 -0.518 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.200 -1.954 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -28.681 -1.110 -0.993 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.326 1.192 0.616 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.197 0.982 2.052 1.00 0.00 C ATOM 1716 C LEU A 110 -26.981 2.033 2.825 1.00 0.00 C ATOM 1717 O LEU A 110 -27.667 1.717 3.795 1.00 0.00 O ATOM 1718 CB LEU A 110 -24.726 1.035 2.461 1.00 0.00 C ATOM 1719 CG LEU A 110 -24.434 0.812 3.943 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -24.733 -0.627 4.342 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -22.996 1.175 4.265 1.00 0.00 C ATOM 0 H LEU A 110 -25.443 1.376 0.140 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.603 -0.001 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.183 0.284 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.325 2.007 2.174 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.087 1.465 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -24.518 -0.763 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.784 -0.846 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.111 -1.304 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -22.808 1.009 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.323 0.553 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -22.823 2.224 4.025 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.904 3.272 2.371 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.608 4.360 3.019 1.00 0.00 C ATOM 1735 C ILE A 111 -29.110 4.104 2.972 1.00 0.00 C ATOM 1736 O ILE A 111 -29.810 4.274 3.973 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.283 5.710 2.337 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.805 6.059 2.546 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -28.182 6.830 2.868 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.415 6.266 3.998 1.00 0.00 C ATOM 0 H ILE A 111 -26.359 3.548 1.554 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.281 4.412 4.057 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.476 5.610 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.192 5.261 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.575 6.966 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.930 7.766 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.225 6.584 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -28.032 6.939 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.354 6.509 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.999 7.084 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.611 5.353 4.561 1.00 0.00 H new ATOM 1752 N SER A 112 -29.590 3.664 1.821 1.00 0.00 N ATOM 1753 CA SER A 112 -30.995 3.350 1.645 1.00 0.00 C ATOM 1754 C SER A 112 -31.434 2.230 2.599 1.00 0.00 C ATOM 1755 O SER A 112 -32.514 2.296 3.186 1.00 0.00 O ATOM 1756 CB SER A 112 -31.266 2.956 0.199 1.00 0.00 C ATOM 1757 OG SER A 112 -30.852 3.989 -0.688 1.00 0.00 O ATOM 0 H SER A 112 -29.020 3.516 0.988 1.00 0.00 H new ATOM 0 HA SER A 112 -31.577 4.240 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.737 2.033 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.329 2.758 0.064 1.00 0.00 H new ATOM 0 HG SER A 112 -31.032 3.718 -1.612 1.00 0.00 H new ATOM 1763 N GLU A 113 -30.579 1.218 2.764 1.00 0.00 N ATOM 1764 CA GLU A 113 -30.890 0.090 3.647 1.00 0.00 C ATOM 1765 C GLU A 113 -31.014 0.543 5.104 1.00 0.00 C ATOM 1766 O GLU A 113 -31.932 0.138 5.809 1.00 0.00 O ATOM 1767 CB GLU A 113 -29.827 -1.000 3.521 1.00 0.00 C ATOM 1768 CG GLU A 113 -29.733 -1.613 2.132 1.00 0.00 C ATOM 1769 CD GLU A 113 -28.691 -2.703 2.049 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -27.511 -2.390 1.823 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -29.050 -3.890 2.204 1.00 0.00 O ATOM 0 H GLU A 113 -29.672 1.156 2.302 1.00 0.00 H new ATOM 0 HA GLU A 113 -31.851 -0.319 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -28.857 -0.580 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -30.043 -1.789 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.704 -2.021 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -29.496 -0.832 1.409 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.101 1.401 5.539 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.118 1.923 6.896 1.00 0.00 C ATOM 1780 C LEU A 114 -31.223 2.966 7.091 1.00 0.00 C ATOM 1781 O LEU A 114 -31.515 3.377 8.212 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.755 2.515 7.254 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.680 1.505 7.679 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.330 0.542 6.558 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.441 2.218 8.180 1.00 0.00 C ATOM 0 H LEU A 114 -29.334 1.752 4.965 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.332 1.091 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.384 3.072 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.893 3.233 8.063 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.095 0.915 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.566 -0.155 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -28.221 -0.013 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.952 1.102 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -25.693 1.483 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.038 2.847 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -26.700 2.838 9.039 1.00 0.00 H new ATOM 1797 N SER A 115 -31.840 3.377 5.999 1.00 0.00 N ATOM 1798 CA SER A 115 -32.931 4.337 6.053 1.00 0.00 C ATOM 1799 C SER A 115 -34.264 3.626 6.293 1.00 0.00 C ATOM 1800 O SER A 115 -35.316 4.259 6.340 1.00 0.00 O ATOM 1801 CB SER A 115 -32.988 5.174 4.774 1.00 0.00 C ATOM 1802 OG SER A 115 -31.780 5.897 4.584 1.00 0.00 O ATOM 0 H SER A 115 -31.604 3.060 5.059 1.00 0.00 H new ATOM 0 HA SER A 115 -32.746 5.011 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.165 4.524 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.827 5.868 4.826 1.00 0.00 H new ATOM 0 HG SER A 115 -31.152 5.354 4.063 1.00 0.00 H new ATOM 1808 N ARG A 116 -34.202 2.302 6.454 1.00 0.00 N ATOM 1809 CA ARG A 116 -35.397 1.477 6.674 1.00 0.00 C ATOM 1810 C ARG A 116 -36.117 1.847 7.974 1.00 0.00 C ATOM 1811 O ARG A 116 -37.249 1.435 8.199 1.00 0.00 O ATOM 1812 CB ARG A 116 -35.033 -0.011 6.685 1.00 0.00 C ATOM 1813 CG ARG A 116 -34.141 -0.430 7.850 1.00 0.00 C ATOM 1814 CD ARG A 116 -33.819 -1.913 7.786 1.00 0.00 C ATOM 1815 NE ARG A 116 -35.012 -2.742 7.961 1.00 0.00 N ATOM 1816 CZ ARG A 116 -35.077 -4.041 7.660 1.00 0.00 C ATOM 1817 NH1 ARG A 116 -34.020 -4.664 7.150 1.00 0.00 N ATOM 1818 NH2 ARG A 116 -36.202 -4.714 7.868 1.00 0.00 N ATOM 0 H ARG A 116 -33.330 1.773 6.436 1.00 0.00 H new ATOM 0 HA ARG A 116 -36.078 1.674 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -35.951 -0.598 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -34.529 -0.257 5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -33.217 0.147 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -34.638 -0.203 8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -33.356 -2.142 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -33.090 -2.159 8.558 1.00 0.00 H new ATOM 0 HE ARG A 116 -35.849 -2.298 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -33.154 -4.150 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -34.074 -5.657 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -37.016 -4.239 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -36.252 -5.707 7.638 1.00 0.00 H new ATOM 1832 N GLU A 117 -35.453 2.616 8.830 1.00 0.00 N ATOM 1833 CA GLU A 117 -36.059 3.054 10.083 1.00 0.00 C ATOM 1834 C GLU A 117 -37.018 4.215 9.840 1.00 0.00 C ATOM 1835 O GLU A 117 -37.702 4.686 10.752 1.00 0.00 O ATOM 1836 CB GLU A 117 -34.989 3.440 11.102 1.00 0.00 C ATOM 1837 CG GLU A 117 -34.099 2.282 11.515 1.00 0.00 C ATOM 1838 CD GLU A 117 -34.876 1.149 12.148 1.00 0.00 C ATOM 1839 OE1 GLU A 117 -35.596 1.388 13.140 1.00 0.00 O ATOM 1840 OE2 GLU A 117 -34.771 0.005 11.657 1.00 0.00 O ATOM 0 H GLU A 117 -34.500 2.948 8.681 1.00 0.00 H new ATOM 0 HA GLU A 117 -36.628 2.220 10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -34.369 4.233 10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.474 3.849 11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -33.566 1.908 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -33.347 2.639 12.218 1.00 0.00 H new ATOM 1847 N GLY A 118 -37.047 4.664 8.610 1.00 0.00 N ATOM 1848 CA GLY A 118 -37.931 5.727 8.209 1.00 0.00 C ATOM 1849 C GLY A 118 -38.595 5.403 6.892 1.00 0.00 C ATOM 1850 O GLY A 118 -38.115 5.799 5.834 1.00 0.00 O ATOM 0 H GLY A 118 -36.458 4.302 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -38.690 5.884 8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -37.371 6.658 8.120 1.00 0.00 H new ATOM 1854 N HIS A 119 -39.699 4.680 6.957 1.00 0.00 N ATOM 1855 CA HIS A 119 -40.413 4.253 5.755 1.00 0.00 C ATOM 1856 C HIS A 119 -41.180 5.407 5.121 1.00 0.00 C ATOM 1857 O HIS A 119 -41.544 6.374 5.796 1.00 0.00 O ATOM 1858 CB HIS A 119 -41.370 3.092 6.062 1.00 0.00 C ATOM 1859 CG HIS A 119 -40.686 1.811 6.446 1.00 0.00 C ATOM 1860 ND1 HIS A 119 -40.219 0.901 5.523 1.00 0.00 N ATOM 1861 CD2 HIS A 119 -40.394 1.288 7.661 1.00 0.00 C ATOM 1862 CE1 HIS A 119 -39.674 -0.124 6.152 1.00 0.00 C ATOM 1863 NE2 HIS A 119 -39.765 0.085 7.449 1.00 0.00 N ATOM 0 H HIS A 119 -40.126 4.373 7.831 1.00 0.00 H new ATOM 0 HA HIS A 119 -39.663 3.908 5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -42.037 3.391 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -41.993 2.909 5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -40.615 1.734 8.619 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -39.229 -0.988 5.682 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -39.424 -0.543 8.177 1.00 0.00 H new ATOM 1871 N HIS A 120 -41.411 5.298 3.822 1.00 0.00 N ATOM 1872 CA HIS A 120 -42.136 6.313 3.059 1.00 0.00 C ATOM 1873 C HIS A 120 -43.624 6.316 3.420 1.00 0.00 C ATOM 1874 O HIS A 120 -44.114 5.401 4.091 1.00 0.00 O ATOM 1875 CB HIS A 120 -41.951 6.078 1.551 1.00 0.00 C ATOM 1876 CG HIS A 120 -42.427 4.732 1.085 1.00 0.00 C ATOM 1877 ND1 HIS A 120 -41.679 3.584 1.224 1.00 0.00 N ATOM 1878 CD2 HIS A 120 -43.584 4.353 0.495 1.00 0.00 C ATOM 1879 CE1 HIS A 120 -42.353 2.559 0.741 1.00 0.00 C ATOM 1880 NE2 HIS A 120 -43.515 2.996 0.295 1.00 0.00 N ATOM 0 H HIS A 120 -41.102 4.503 3.262 1.00 0.00 H new ATOM 0 HA HIS A 120 -41.725 7.289 3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -42.488 6.853 1.003 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -40.895 6.186 1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -44.409 4.998 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -42.012 1.535 0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -44.243 2.421 -0.129 1.00 0.00 H new ATOM 1888 N HIS A 121 -44.337 7.333 2.960 1.00 0.00 N ATOM 1889 CA HIS A 121 -45.747 7.476 3.280 1.00 0.00 C ATOM 1890 C HIS A 121 -46.619 6.576 2.409 1.00 0.00 C ATOM 1891 O HIS A 121 -47.389 5.766 2.919 1.00 0.00 O ATOM 1892 CB HIS A 121 -46.187 8.933 3.134 1.00 0.00 C ATOM 1893 CG HIS A 121 -47.583 9.197 3.620 1.00 0.00 C ATOM 1894 ND1 HIS A 121 -48.698 9.095 2.813 1.00 0.00 N ATOM 1895 CD2 HIS A 121 -48.043 9.558 4.841 1.00 0.00 C ATOM 1896 CE1 HIS A 121 -49.778 9.383 3.518 1.00 0.00 C ATOM 1897 NE2 HIS A 121 -49.407 9.665 4.749 1.00 0.00 N ATOM 0 H HIS A 121 -43.961 8.071 2.364 1.00 0.00 H new ATOM 0 HA HIS A 121 -45.877 7.166 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -45.494 9.569 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -46.117 9.220 2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -47.446 9.730 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -50.792 9.386 3.147 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -50.033 9.922 5.512 1.00 0.00 H new ATOM 1905 N HIS A 122 -46.489 6.711 1.100 1.00 0.00 N ATOM 1906 CA HIS A 122 -47.313 5.944 0.181 1.00 0.00 C ATOM 1907 C HIS A 122 -46.594 5.769 -1.150 1.00 0.00 C ATOM 1908 O HIS A 122 -45.745 6.582 -1.515 1.00 0.00 O ATOM 1909 CB HIS A 122 -48.662 6.659 -0.036 1.00 0.00 C ATOM 1910 CG HIS A 122 -49.721 5.813 -0.690 1.00 0.00 C ATOM 1911 ND1 HIS A 122 -49.874 5.711 -2.057 1.00 0.00 N ATOM 1912 CD2 HIS A 122 -50.691 5.043 -0.154 1.00 0.00 C ATOM 1913 CE1 HIS A 122 -50.894 4.916 -2.327 1.00 0.00 C ATOM 1914 NE2 HIS A 122 -51.407 4.498 -1.191 1.00 0.00 N ATOM 0 H HIS A 122 -45.824 7.341 0.651 1.00 0.00 H new ATOM 0 HA HIS A 122 -47.498 4.959 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -49.035 7.003 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -48.494 7.545 -0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -50.871 4.884 0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -51.247 4.654 -3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -52.206 3.871 -1.096 1.00 0.00 H new ATOM 1922 N HIS A 123 -46.926 4.698 -1.863 1.00 0.00 N ATOM 1923 CA HIS A 123 -46.342 4.431 -3.181 1.00 0.00 C ATOM 1924 C HIS A 123 -46.685 5.533 -4.171 1.00 0.00 C ATOM 1925 O HIS A 123 -45.904 5.836 -5.068 1.00 0.00 O ATOM 1926 CB HIS A 123 -46.807 3.080 -3.729 1.00 0.00 C ATOM 1927 CG HIS A 123 -46.120 1.908 -3.112 1.00 0.00 C ATOM 1928 ND1 HIS A 123 -46.536 1.317 -1.938 1.00 0.00 N ATOM 1929 CD2 HIS A 123 -45.042 1.205 -3.520 1.00 0.00 C ATOM 1930 CE1 HIS A 123 -45.737 0.302 -1.655 1.00 0.00 C ATOM 1931 NE2 HIS A 123 -44.828 0.217 -2.598 1.00 0.00 N ATOM 0 H HIS A 123 -47.598 3.996 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 123 -45.260 4.403 -3.052 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -47.881 2.985 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -46.642 3.060 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -44.457 1.388 -4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -45.818 -0.346 -0.795 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -44.080 -0.476 -2.637 1.00 0.00 H new ATOM 1939 N HIS A 124 -47.863 6.108 -4.017 1.00 0.00 N ATOM 1940 CA HIS A 124 -48.309 7.184 -4.880 1.00 0.00 C ATOM 1941 C HIS A 124 -48.873 8.315 -4.033 1.00 0.00 C ATOM 1942 O HIS A 124 -50.117 8.405 -3.903 1.00 0.00 O ATOM 1943 CB HIS A 124 -49.369 6.683 -5.873 1.00 0.00 C ATOM 1944 CG HIS A 124 -48.882 5.593 -6.776 1.00 0.00 C ATOM 1945 ND1 HIS A 124 -49.111 4.256 -6.531 1.00 0.00 N ATOM 1946 CD2 HIS A 124 -48.164 5.644 -7.922 1.00 0.00 C ATOM 1947 CE1 HIS A 124 -48.556 3.534 -7.486 1.00 0.00 C ATOM 1948 NE2 HIS A 124 -47.976 4.350 -8.341 1.00 0.00 N ATOM 1949 OXT HIS A 124 -48.069 9.090 -3.465 1.00 0.00 O ATOM 0 H HIS A 124 -48.533 5.844 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 124 -47.457 7.552 -5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -50.234 6.322 -5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -49.709 7.521 -6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -47.806 6.536 -8.415 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -48.574 2.456 -7.555 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -47.469 4.067 -9.179 1.00 0.00 H new TER 1957 HIS A 124