USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 111 ASN : amide:sc= -0.206 X(o=0.69,f=1.1) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.897 K(o=0.69,f=-0.69) USER MOD Set 2.1: A 6 SER OG : rot 43:sc= 0.353 USER MOD Set 2.2: A 54 MET CE :methyl -177:sc= -1.9 (180deg=-1.76) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0809 (180deg=-0.553) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.106 (180deg=-0.0172) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.845 X(o=-0.84,f=-1.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 20 SER OG : rot 76:sc= 0.769 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00273 (180deg=-0.117) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc=-0.00399 (180deg=-0.0717) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 157:sc= 0.074 USER MOD Single : A 44 MET CE :methyl -165:sc= 0 (180deg=-0.0974) USER MOD Single : A 46 TYR OH : rot 154:sc= 0.946 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0.868 (180deg=0.478) USER MOD Single : A 52 ASN : amide:sc= -0.793 K(o=-0.79,f=-0.0022) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.892 (180deg=0.557) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.692 K(o=0.69,f=-0.96) USER MOD Single : A 70 HIS : no HD1:sc=-0.00422 X(o=-0.0042,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.19 K(o=-1.2,f=-8.3!) USER MOD Single : A 74 HIS : no HD1:sc= 0.991 K(o=1.3,f=-5.3!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.8) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.243 K(o=0.24,f=-8.5!) USER MOD Single : A 99 HIS : no HE2:sc= 0.00527 K(o=0.0053,f=-6.3!) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.12) USER MOD Single : A 109 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 53:sc= -1.02 USER MOD Single : A 121 LYS NZ :NH3+ 163:sc= -0.0642 (180deg=-0.412) USER MOD Single : A 122 LYS NZ :NH3+ 160:sc= -0.0976 (180deg=-0.476) USER MOD Single : A 201 ACD O2 : rot -120:sc= 0.0958 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.305 5.298 -16.642 1.00 0.00 N ATOM 2 CA MET A 1 11.582 5.956 -16.280 1.00 0.00 C ATOM 3 C MET A 1 11.341 7.055 -15.254 1.00 0.00 C ATOM 4 O MET A 1 10.192 7.402 -14.973 1.00 0.00 O ATOM 5 CB MET A 1 12.252 6.551 -17.524 1.00 0.00 C ATOM 6 CG MET A 1 11.457 7.677 -18.168 1.00 0.00 C ATOM 7 SD MET A 1 12.320 8.443 -19.555 1.00 0.00 S ATOM 8 CE MET A 1 12.533 7.039 -20.643 1.00 0.00 C ATOM 0 H1 MET A 1 10.318 4.311 -16.315 1.00 0.00 H new ATOM 0 H2 MET A 1 9.515 5.801 -16.190 1.00 0.00 H new ATOM 0 H3 MET A 1 10.184 5.319 -17.675 1.00 0.00 H new ATOM 0 HA MET A 1 12.242 5.203 -15.848 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.239 6.925 -17.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.403 5.759 -18.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.499 7.287 -18.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.240 8.437 -17.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.751 7.390 -21.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.359 6.424 -20.286 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.618 6.446 -20.655 1.00 0.00 H new ATOM 20 N GLU A 2 12.430 7.592 -14.708 1.00 0.00 N ATOM 21 CA GLU A 2 12.380 8.694 -13.748 1.00 0.00 C ATOM 22 C GLU A 2 11.494 8.361 -12.554 1.00 0.00 C ATOM 23 O GLU A 2 10.351 8.821 -12.466 1.00 0.00 O ATOM 24 CB GLU A 2 11.890 9.977 -14.415 1.00 0.00 C ATOM 25 CG GLU A 2 12.811 10.498 -15.501 1.00 0.00 C ATOM 26 CD GLU A 2 12.304 11.782 -16.116 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.855 11.751 -17.280 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.348 12.828 -15.435 1.00 0.00 O ATOM 0 H GLU A 2 13.376 7.274 -14.919 1.00 0.00 H new ATOM 0 HA GLU A 2 13.396 8.848 -13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.904 9.798 -14.844 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.771 10.748 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.804 10.665 -15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.916 9.742 -16.279 1.00 0.00 H new ATOM 35 N PHE A 3 12.020 7.565 -11.635 1.00 0.00 N ATOM 36 CA PHE A 3 11.284 7.225 -10.432 1.00 0.00 C ATOM 37 C PHE A 3 11.096 8.464 -9.573 1.00 0.00 C ATOM 38 O PHE A 3 12.050 8.991 -8.997 1.00 0.00 O ATOM 39 CB PHE A 3 11.991 6.131 -9.632 1.00 0.00 C ATOM 40 CG PHE A 3 11.291 5.788 -8.347 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.765 6.258 -7.132 1.00 0.00 C ATOM 42 CD2 PHE A 3 10.152 5.005 -8.361 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.112 5.949 -5.955 1.00 0.00 C ATOM 44 CE2 PHE A 3 9.497 4.692 -7.187 1.00 0.00 C ATOM 45 CZ PHE A 3 9.976 5.165 -5.982 1.00 0.00 C ATOM 0 H PHE A 3 12.948 7.146 -11.700 1.00 0.00 H new ATOM 0 HA PHE A 3 10.309 6.840 -10.731 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.068 5.234 -10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.008 6.453 -9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.653 6.872 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.770 4.634 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.490 6.320 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.610 4.077 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.464 4.922 -5.063 1.00 0.00 H new ATOM 55 N THR A 4 9.866 8.931 -9.516 1.00 0.00 N ATOM 56 CA THR A 4 9.529 10.088 -8.716 1.00 0.00 C ATOM 57 C THR A 4 8.786 9.646 -7.469 1.00 0.00 C ATOM 58 O THR A 4 7.711 9.041 -7.555 1.00 0.00 O ATOM 59 CB THR A 4 8.665 11.083 -9.507 1.00 0.00 C ATOM 60 OG1 THR A 4 8.771 10.809 -10.914 1.00 0.00 O ATOM 61 CG2 THR A 4 9.119 12.504 -9.236 1.00 0.00 C ATOM 0 H THR A 4 9.078 8.523 -10.019 1.00 0.00 H new ATOM 0 HA THR A 4 10.456 10.590 -8.438 1.00 0.00 H new ATOM 0 HB THR A 4 7.628 10.973 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.217 11.445 -11.414 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.499 13.198 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.025 12.719 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.160 12.617 -9.539 1.00 0.00 H new ATOM 69 N VAL A 5 9.371 9.929 -6.318 1.00 0.00 N ATOM 70 CA VAL A 5 8.795 9.503 -5.053 1.00 0.00 C ATOM 71 C VAL A 5 7.534 10.307 -4.762 1.00 0.00 C ATOM 72 O VAL A 5 7.470 11.517 -5.005 1.00 0.00 O ATOM 73 CB VAL A 5 9.795 9.607 -3.862 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.222 9.384 -4.335 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.669 10.923 -3.107 1.00 0.00 C ATOM 0 H VAL A 5 10.243 10.451 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 5 8.545 8.447 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 5 9.534 8.816 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.903 9.461 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.307 8.392 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.481 10.138 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.388 10.943 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.869 11.752 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.660 11.017 -2.706 1.00 0.00 H new ATOM 85 N SER A 6 6.519 9.615 -4.283 1.00 0.00 N ATOM 86 CA SER A 6 5.240 10.230 -4.000 1.00 0.00 C ATOM 87 C SER A 6 5.186 10.738 -2.563 1.00 0.00 C ATOM 88 O SER A 6 5.095 9.948 -1.622 1.00 0.00 O ATOM 89 CB SER A 6 4.134 9.207 -4.243 1.00 0.00 C ATOM 90 OG SER A 6 4.418 7.997 -3.561 1.00 0.00 O ATOM 0 H SER A 6 6.558 8.616 -4.080 1.00 0.00 H new ATOM 0 HA SER A 6 5.101 11.086 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.179 9.607 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.037 9.015 -5.312 1.00 0.00 H new ATOM 0 HG SER A 6 4.751 8.199 -2.662 1.00 0.00 H new ATOM 96 N THR A 7 5.263 12.051 -2.389 1.00 0.00 N ATOM 97 CA THR A 7 5.135 12.640 -1.068 1.00 0.00 C ATOM 98 C THR A 7 3.665 12.722 -0.665 1.00 0.00 C ATOM 99 O THR A 7 2.785 12.329 -1.435 1.00 0.00 O ATOM 100 CB THR A 7 5.769 14.046 -1.003 1.00 0.00 C ATOM 101 OG1 THR A 7 5.137 14.923 -1.945 1.00 0.00 O ATOM 102 CG2 THR A 7 7.263 13.980 -1.288 1.00 0.00 C ATOM 0 H THR A 7 5.413 12.722 -3.142 1.00 0.00 H new ATOM 0 HA THR A 7 5.671 11.995 -0.371 1.00 0.00 H new ATOM 0 HB THR A 7 5.621 14.435 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.335 14.622 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.688 14.982 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.747 13.343 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.426 13.568 -2.284 1.00 0.00 H new ATOM 110 N THR A 8 3.404 13.221 0.534 1.00 0.00 N ATOM 111 CA THR A 8 2.047 13.351 1.044 1.00 0.00 C ATOM 112 C THR A 8 1.150 14.106 0.065 1.00 0.00 C ATOM 113 O THR A 8 0.052 13.651 -0.263 1.00 0.00 O ATOM 114 CB THR A 8 2.045 14.072 2.402 1.00 0.00 C ATOM 115 OG1 THR A 8 2.876 13.365 3.335 1.00 0.00 O ATOM 116 CG2 THR A 8 0.633 14.183 2.948 1.00 0.00 C ATOM 0 H THR A 8 4.124 13.546 1.179 1.00 0.00 H new ATOM 0 HA THR A 8 1.651 12.343 1.169 1.00 0.00 H new ATOM 0 HB THR A 8 2.441 15.077 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.871 13.832 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.654 14.696 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.016 14.747 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.214 13.185 3.078 1.00 0.00 H new ATOM 124 N GLU A 9 1.632 15.244 -0.412 1.00 0.00 N ATOM 125 CA GLU A 9 0.865 16.074 -1.325 1.00 0.00 C ATOM 126 C GLU A 9 0.573 15.344 -2.638 1.00 0.00 C ATOM 127 O GLU A 9 -0.539 15.421 -3.158 1.00 0.00 O ATOM 128 CB GLU A 9 1.595 17.392 -1.571 1.00 0.00 C ATOM 129 CG GLU A 9 1.753 18.212 -0.301 1.00 0.00 C ATOM 130 CD GLU A 9 2.460 19.533 -0.518 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.776 20.539 -0.798 1.00 0.00 O ATOM 132 OE2 GLU A 9 3.701 19.581 -0.381 1.00 0.00 O ATOM 0 H GLU A 9 2.554 15.614 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.098 16.292 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.579 17.186 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.047 17.975 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.767 18.402 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.309 17.628 0.432 1.00 0.00 H new ATOM 139 N ASP A 10 1.561 14.611 -3.155 1.00 0.00 N ATOM 140 CA ASP A 10 1.362 13.821 -4.376 1.00 0.00 C ATOM 141 C ASP A 10 0.346 12.717 -4.120 1.00 0.00 C ATOM 142 O ASP A 10 -0.493 12.411 -4.968 1.00 0.00 O ATOM 143 CB ASP A 10 2.666 13.179 -4.868 1.00 0.00 C ATOM 144 CG ASP A 10 3.795 14.165 -5.067 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.796 14.078 -4.323 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.697 15.026 -5.967 1.00 0.00 O ATOM 0 H ASP A 10 2.497 14.546 -2.755 1.00 0.00 H new ATOM 0 HA ASP A 10 1.003 14.506 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.980 12.421 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.474 12.666 -5.810 1.00 0.00 H new ATOM 151 N LEU A 11 0.429 12.130 -2.934 1.00 0.00 N ATOM 152 CA LEU A 11 -0.456 11.046 -2.540 1.00 0.00 C ATOM 153 C LEU A 11 -1.905 11.522 -2.468 1.00 0.00 C ATOM 154 O LEU A 11 -2.829 10.774 -2.783 1.00 0.00 O ATOM 155 CB LEU A 11 -0.008 10.465 -1.195 1.00 0.00 C ATOM 156 CG LEU A 11 -0.916 9.386 -0.620 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.952 8.181 -1.539 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.448 8.986 0.770 1.00 0.00 C ATOM 0 H LEU A 11 1.110 12.392 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.401 10.262 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.993 10.050 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.066 11.278 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.926 9.787 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.605 7.419 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.331 8.480 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.054 7.777 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.107 8.214 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.570 8.601 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.471 9.856 1.426 1.00 0.00 H new ATOM 170 N GLN A 12 -2.095 12.780 -2.083 1.00 0.00 N ATOM 171 CA GLN A 12 -3.433 13.349 -1.976 1.00 0.00 C ATOM 172 C GLN A 12 -4.081 13.440 -3.348 1.00 0.00 C ATOM 173 O GLN A 12 -5.299 13.326 -3.482 1.00 0.00 O ATOM 174 CB GLN A 12 -3.390 14.739 -1.338 1.00 0.00 C ATOM 175 CG GLN A 12 -3.001 14.743 0.131 1.00 0.00 C ATOM 176 CD GLN A 12 -2.875 16.146 0.694 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.064 16.399 1.582 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.688 17.066 0.194 1.00 0.00 N ATOM 0 H GLN A 12 -1.341 13.423 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.025 12.691 -1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.683 15.357 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.370 15.204 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.747 14.191 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.053 14.219 0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.348 16.817 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.654 18.023 0.546 1.00 0.00 H new ATOM 187 N ARG A 13 -3.249 13.624 -4.361 1.00 0.00 N ATOM 188 CA ARG A 13 -3.720 13.738 -5.731 1.00 0.00 C ATOM 189 C ARG A 13 -4.379 12.431 -6.164 1.00 0.00 C ATOM 190 O ARG A 13 -5.556 12.404 -6.532 1.00 0.00 O ATOM 191 CB ARG A 13 -2.556 14.063 -6.674 1.00 0.00 C ATOM 192 CG ARG A 13 -1.692 15.253 -6.264 1.00 0.00 C ATOM 193 CD ARG A 13 -2.449 16.573 -6.282 1.00 0.00 C ATOM 194 NE ARG A 13 -3.328 16.745 -5.126 1.00 0.00 N ATOM 195 CZ ARG A 13 -3.033 17.515 -4.076 1.00 0.00 C ATOM 196 NH1 ARG A 13 -1.844 18.106 -3.987 1.00 0.00 N ATOM 197 NH2 ARG A 13 -3.924 17.679 -3.107 1.00 0.00 N ATOM 0 H ARG A 13 -2.237 13.698 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.449 14.547 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.918 13.183 -6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.959 14.254 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.298 15.080 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.836 15.322 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.734 17.395 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.042 16.632 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.219 16.248 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.151 17.972 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.625 18.693 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.832 17.217 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.701 18.267 -2.304 1.00 0.00 H new ATOM 211 N TYR A 14 -3.619 11.341 -6.075 1.00 0.00 N ATOM 212 CA TYR A 14 -4.101 10.028 -6.499 1.00 0.00 C ATOM 213 C TYR A 14 -5.264 9.557 -5.633 1.00 0.00 C ATOM 214 O TYR A 14 -6.225 8.972 -6.131 1.00 0.00 O ATOM 215 CB TYR A 14 -2.976 8.993 -6.434 1.00 0.00 C ATOM 216 CG TYR A 14 -1.731 9.399 -7.188 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.497 9.477 -6.553 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.795 9.710 -8.539 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.638 9.850 -7.248 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.666 10.083 -9.240 1.00 0.00 C ATOM 221 CZ TYR A 14 0.549 10.151 -8.591 1.00 0.00 C ATOM 222 OH TYR A 14 1.680 10.523 -9.285 1.00 0.00 O ATOM 0 H TYR A 14 -2.666 11.341 -5.713 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.446 10.127 -7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.716 8.817 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.341 8.048 -6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.424 9.243 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.745 9.659 -9.051 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.590 9.906 -6.742 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.734 10.320 -10.291 1.00 0.00 H new ATOM 0 HH TYR A 14 1.447 10.700 -10.220 1.00 0.00 H new ATOM 232 N ARG A 15 -5.175 9.829 -4.337 1.00 0.00 N ATOM 233 CA ARG A 15 -6.165 9.353 -3.381 1.00 0.00 C ATOM 234 C ARG A 15 -7.535 9.974 -3.642 1.00 0.00 C ATOM 235 O ARG A 15 -8.558 9.294 -3.556 1.00 0.00 O ATOM 236 CB ARG A 15 -5.662 9.608 -1.951 1.00 0.00 C ATOM 237 CG ARG A 15 -6.682 10.182 -0.979 1.00 0.00 C ATOM 238 CD ARG A 15 -6.137 10.149 0.444 1.00 0.00 C ATOM 239 NE ARG A 15 -7.064 10.717 1.419 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.077 10.382 2.709 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.271 9.430 3.164 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.919 10.980 3.539 1.00 0.00 N ATOM 0 H ARG A 15 -4.423 10.380 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.296 8.278 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.291 8.667 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.813 10.290 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.924 11.207 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.608 9.610 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.914 9.118 0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.197 10.699 0.481 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.739 11.409 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.637 8.950 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.286 9.178 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.556 11.696 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.930 10.724 4.526 1.00 0.00 H new ATOM 256 N THR A 16 -7.549 11.249 -4.002 1.00 0.00 N ATOM 257 CA THR A 16 -8.788 11.932 -4.334 1.00 0.00 C ATOM 258 C THR A 16 -9.385 11.369 -5.624 1.00 0.00 C ATOM 259 O THR A 16 -10.600 11.160 -5.724 1.00 0.00 O ATOM 260 CB THR A 16 -8.539 13.438 -4.499 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.882 13.954 -3.332 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.842 14.185 -4.721 1.00 0.00 C ATOM 0 H THR A 16 -6.714 11.831 -4.071 1.00 0.00 H new ATOM 0 HA THR A 16 -9.493 11.771 -3.518 1.00 0.00 H new ATOM 0 HB THR A 16 -7.904 13.584 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.911 13.918 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.636 15.249 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.327 13.811 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.500 14.032 -3.865 1.00 0.00 H new ATOM 270 N GLU A 17 -8.524 11.120 -6.604 1.00 0.00 N ATOM 271 CA GLU A 17 -8.950 10.538 -7.872 1.00 0.00 C ATOM 272 C GLU A 17 -9.601 9.170 -7.663 1.00 0.00 C ATOM 273 O GLU A 17 -10.698 8.911 -8.159 1.00 0.00 O ATOM 274 CB GLU A 17 -7.765 10.418 -8.834 1.00 0.00 C ATOM 275 CG GLU A 17 -7.721 11.495 -9.904 1.00 0.00 C ATOM 276 CD GLU A 17 -6.566 11.312 -10.866 1.00 0.00 C ATOM 277 OE1 GLU A 17 -6.491 10.247 -11.514 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.739 12.233 -10.993 1.00 0.00 O ATOM 0 H GLU A 17 -7.524 11.313 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.693 11.204 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.840 10.454 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.801 9.442 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.658 11.487 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.641 12.472 -9.428 1.00 0.00 H new ATOM 285 N CYS A 18 -8.934 8.308 -6.905 1.00 0.00 N ATOM 286 CA CYS A 18 -9.443 6.967 -6.644 1.00 0.00 C ATOM 287 C CYS A 18 -10.741 7.016 -5.844 1.00 0.00 C ATOM 288 O CYS A 18 -11.644 6.209 -6.070 1.00 0.00 O ATOM 289 CB CYS A 18 -8.399 6.124 -5.919 1.00 0.00 C ATOM 290 SG CYS A 18 -6.892 5.824 -6.900 1.00 0.00 S ATOM 0 H CYS A 18 -8.039 8.514 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.657 6.500 -7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.124 6.622 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.843 5.166 -5.648 1.00 0.00 H new ATOM 295 N VAL A 19 -10.842 7.974 -4.925 1.00 0.00 N ATOM 296 CA VAL A 19 -12.059 8.160 -4.151 1.00 0.00 C ATOM 297 C VAL A 19 -13.229 8.486 -5.070 1.00 0.00 C ATOM 298 O VAL A 19 -14.287 7.855 -5.004 1.00 0.00 O ATOM 299 CB VAL A 19 -11.896 9.268 -3.081 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.239 9.863 -2.696 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.204 8.709 -1.851 1.00 0.00 C ATOM 0 H VAL A 19 -10.094 8.631 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.262 7.224 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.284 10.062 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.091 10.638 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.710 10.298 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.881 9.081 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.095 9.497 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.800 7.897 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.219 8.332 -2.127 1.00 0.00 H new ATOM 311 N SER A 20 -13.011 9.452 -5.943 1.00 0.00 N ATOM 312 CA SER A 20 -14.033 9.897 -6.877 1.00 0.00 C ATOM 313 C SER A 20 -14.422 8.794 -7.869 1.00 0.00 C ATOM 314 O SER A 20 -15.596 8.648 -8.217 1.00 0.00 O ATOM 315 CB SER A 20 -13.523 11.126 -7.626 1.00 0.00 C ATOM 316 OG SER A 20 -13.127 12.145 -6.717 1.00 0.00 O ATOM 0 H SER A 20 -12.125 9.950 -6.026 1.00 0.00 H new ATOM 0 HA SER A 20 -14.929 10.149 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.679 10.848 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.304 11.505 -8.286 1.00 0.00 H new ATOM 0 HG SER A 20 -12.259 11.915 -6.326 1.00 0.00 H new ATOM 322 N SER A 21 -13.443 8.009 -8.305 1.00 0.00 N ATOM 323 CA SER A 21 -13.671 6.994 -9.328 1.00 0.00 C ATOM 324 C SER A 21 -14.370 5.764 -8.748 1.00 0.00 C ATOM 325 O SER A 21 -15.365 5.290 -9.298 1.00 0.00 O ATOM 326 CB SER A 21 -12.341 6.590 -9.961 1.00 0.00 C ATOM 327 OG SER A 21 -12.529 5.739 -11.080 1.00 0.00 O ATOM 0 H SER A 21 -12.482 8.056 -7.966 1.00 0.00 H new ATOM 0 HA SER A 21 -14.323 7.421 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.799 7.484 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.724 6.084 -9.219 1.00 0.00 H new ATOM 0 HG SER A 21 -11.658 5.502 -11.461 1.00 0.00 H new ATOM 333 N LEU A 22 -13.866 5.263 -7.625 1.00 0.00 N ATOM 334 CA LEU A 22 -14.384 4.032 -7.042 1.00 0.00 C ATOM 335 C LEU A 22 -15.623 4.281 -6.189 1.00 0.00 C ATOM 336 O LEU A 22 -16.081 3.389 -5.469 1.00 0.00 O ATOM 337 CB LEU A 22 -13.298 3.358 -6.208 1.00 0.00 C ATOM 338 CG LEU A 22 -12.141 2.784 -7.019 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.996 2.399 -6.104 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.605 1.578 -7.812 1.00 0.00 C ATOM 0 H LEU A 22 -13.101 5.690 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.679 3.375 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.902 4.083 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.751 2.555 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.790 3.547 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.178 1.991 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.649 3.280 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.337 1.648 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.770 1.177 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.975 0.814 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.404 1.875 -8.492 1.00 0.00 H new ATOM 352 N ASN A 23 -16.157 5.501 -6.281 1.00 0.00 N ATOM 353 CA ASN A 23 -17.355 5.899 -5.539 1.00 0.00 C ATOM 354 C ASN A 23 -17.178 5.663 -4.044 1.00 0.00 C ATOM 355 O ASN A 23 -18.098 5.211 -3.363 1.00 0.00 O ATOM 356 CB ASN A 23 -18.584 5.139 -6.045 1.00 0.00 C ATOM 357 CG ASN A 23 -18.892 5.425 -7.500 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.394 4.748 -8.400 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.717 6.427 -7.743 1.00 0.00 N ATOM 0 H ASN A 23 -15.772 6.239 -6.871 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.507 6.965 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.422 4.069 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.447 5.407 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.962 6.664 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.109 6.964 -6.969 1.00 0.00 H new ATOM 366 N ILE A 24 -15.985 5.962 -3.540 1.00 0.00 N ATOM 367 CA ILE A 24 -15.684 5.781 -2.132 1.00 0.00 C ATOM 368 C ILE A 24 -16.489 6.764 -1.284 1.00 0.00 C ATOM 369 O ILE A 24 -16.413 7.979 -1.483 1.00 0.00 O ATOM 370 CB ILE A 24 -14.177 5.967 -1.851 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.340 5.095 -2.802 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.864 5.630 -0.398 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.599 3.607 -2.673 1.00 0.00 C ATOM 0 H ILE A 24 -15.211 6.332 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.961 4.761 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.917 7.011 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.543 5.400 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.283 5.286 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.798 5.766 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.432 6.289 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.138 4.594 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.969 3.065 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.368 3.284 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.647 3.400 -2.890 1.00 0.00 H new ATOM 385 N PRO A 25 -17.300 6.235 -0.352 1.00 0.00 N ATOM 386 CA PRO A 25 -18.111 7.046 0.560 1.00 0.00 C ATOM 387 C PRO A 25 -17.254 7.959 1.423 1.00 0.00 C ATOM 388 O PRO A 25 -16.169 7.579 1.875 1.00 0.00 O ATOM 389 CB PRO A 25 -18.828 6.016 1.435 1.00 0.00 C ATOM 390 CG PRO A 25 -18.743 4.733 0.696 1.00 0.00 C ATOM 391 CD PRO A 25 -17.484 4.797 -0.118 1.00 0.00 C ATOM 0 HA PRO A 25 -18.791 7.703 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.355 5.936 2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.866 6.302 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.718 3.889 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.614 4.595 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.638 4.366 0.417 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.583 4.247 -1.054 1.00 0.00 H new ATOM 399 N ALA A 26 -17.766 9.166 1.647 1.00 0.00 N ATOM 400 CA ALA A 26 -17.076 10.187 2.424 1.00 0.00 C ATOM 401 C ALA A 26 -16.728 9.685 3.817 1.00 0.00 C ATOM 402 O ALA A 26 -15.716 10.087 4.388 1.00 0.00 O ATOM 403 CB ALA A 26 -17.941 11.428 2.524 1.00 0.00 C ATOM 0 H ALA A 26 -18.675 9.463 1.292 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.145 10.429 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.420 12.188 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.144 11.812 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.882 11.177 3.014 1.00 0.00 H new ATOM 409 N ASP A 27 -17.584 8.822 4.360 1.00 0.00 N ATOM 410 CA ASP A 27 -17.338 8.195 5.660 1.00 0.00 C ATOM 411 C ASP A 27 -15.979 7.505 5.684 1.00 0.00 C ATOM 412 O ASP A 27 -15.166 7.744 6.576 1.00 0.00 O ATOM 413 CB ASP A 27 -18.432 7.175 5.987 1.00 0.00 C ATOM 414 CG ASP A 27 -19.768 7.824 6.284 1.00 0.00 C ATOM 415 OD1 ASP A 27 -19.991 8.233 7.441 1.00 0.00 O ATOM 416 OD2 ASP A 27 -20.604 7.923 5.359 1.00 0.00 O ATOM 0 H ASP A 27 -18.459 8.539 3.918 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.348 8.984 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.545 6.488 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.123 6.580 6.846 1.00 0.00 H new ATOM 421 N TYR A 28 -15.737 6.650 4.694 1.00 0.00 N ATOM 422 CA TYR A 28 -14.463 5.958 4.573 1.00 0.00 C ATOM 423 C TYR A 28 -13.313 6.946 4.406 1.00 0.00 C ATOM 424 O TYR A 28 -12.235 6.750 4.961 1.00 0.00 O ATOM 425 CB TYR A 28 -14.500 4.986 3.392 1.00 0.00 C ATOM 426 CG TYR A 28 -15.259 3.712 3.686 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.596 2.553 4.075 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.642 3.669 3.576 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.293 1.390 4.345 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.344 2.510 3.845 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.666 1.375 4.229 1.00 0.00 C ATOM 432 OH TYR A 28 -17.365 0.221 4.497 1.00 0.00 O ATOM 0 H TYR A 28 -16.411 6.421 3.963 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.295 5.396 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.957 5.483 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.479 4.734 3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.520 2.562 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.178 4.557 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.764 0.498 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.420 2.494 3.754 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.323 0.382 4.368 1.00 0.00 H new ATOM 442 N VAL A 29 -13.560 8.010 3.651 1.00 0.00 N ATOM 443 CA VAL A 29 -12.554 9.032 3.394 1.00 0.00 C ATOM 444 C VAL A 29 -12.064 9.675 4.695 1.00 0.00 C ATOM 445 O VAL A 29 -10.863 9.901 4.869 1.00 0.00 O ATOM 446 CB VAL A 29 -13.100 10.118 2.453 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.044 11.170 2.184 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.574 9.498 1.153 1.00 0.00 C ATOM 0 H VAL A 29 -14.459 8.188 3.202 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.710 8.538 2.913 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.948 10.601 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.449 11.930 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.746 11.635 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.176 10.703 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.958 10.279 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.740 8.992 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.365 8.777 1.361 1.00 0.00 H new ATOM 458 N GLU A 30 -12.989 9.958 5.615 1.00 0.00 N ATOM 459 CA GLU A 30 -12.617 10.526 6.911 1.00 0.00 C ATOM 460 C GLU A 30 -11.723 9.554 7.676 1.00 0.00 C ATOM 461 O GLU A 30 -10.761 9.964 8.330 1.00 0.00 O ATOM 462 CB GLU A 30 -13.844 10.869 7.757 1.00 0.00 C ATOM 463 CG GLU A 30 -14.961 11.513 6.963 1.00 0.00 C ATOM 464 CD GLU A 30 -15.987 12.193 7.846 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.905 11.508 8.342 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.882 13.425 8.044 1.00 0.00 O ATOM 0 H GLU A 30 -13.990 9.805 5.489 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.073 11.451 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.219 9.959 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.545 11.542 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.537 12.245 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.455 10.754 6.357 1.00 0.00 H new ATOM 473 N LYS A 31 -12.033 8.267 7.571 1.00 0.00 N ATOM 474 CA LYS A 31 -11.231 7.230 8.215 1.00 0.00 C ATOM 475 C LYS A 31 -9.814 7.223 7.653 1.00 0.00 C ATOM 476 O LYS A 31 -8.837 7.230 8.402 1.00 0.00 O ATOM 477 CB LYS A 31 -11.856 5.850 8.021 1.00 0.00 C ATOM 478 CG LYS A 31 -13.249 5.717 8.610 1.00 0.00 C ATOM 479 CD LYS A 31 -13.759 4.290 8.497 1.00 0.00 C ATOM 480 CE LYS A 31 -15.185 4.163 9.015 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.258 4.349 10.489 1.00 0.00 N ATOM 0 H LYS A 31 -12.834 7.915 7.046 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.198 7.456 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.900 5.629 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.207 5.101 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.234 6.019 9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.931 6.392 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.719 3.970 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.106 3.624 9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.817 4.903 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.581 3.182 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.226 4.155 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.598 3.694 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.001 5.328 10.729 1.00 0.00 H new ATOM 495 N PHE A 32 -9.711 7.233 6.326 1.00 0.00 N ATOM 496 CA PHE A 32 -8.419 7.197 5.645 1.00 0.00 C ATOM 497 C PHE A 32 -7.578 8.421 5.993 1.00 0.00 C ATOM 498 O PHE A 32 -6.354 8.397 5.879 1.00 0.00 O ATOM 499 CB PHE A 32 -8.598 7.113 4.124 1.00 0.00 C ATOM 500 CG PHE A 32 -9.456 5.969 3.663 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.263 6.100 2.544 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.461 4.765 4.347 1.00 0.00 C ATOM 503 CE1 PHE A 32 -11.054 5.052 2.116 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.249 3.715 3.924 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.047 3.857 2.807 1.00 0.00 C ATOM 0 H PHE A 32 -10.513 7.266 5.697 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.899 6.303 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.036 8.046 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.616 7.025 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.273 7.033 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.840 4.647 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.677 5.167 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.242 2.781 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.664 3.036 2.474 1.00 0.00 H new ATOM 515 N LYS A 33 -8.238 9.490 6.419 1.00 0.00 N ATOM 516 CA LYS A 33 -7.547 10.713 6.784 1.00 0.00 C ATOM 517 C LYS A 33 -6.857 10.541 8.136 1.00 0.00 C ATOM 518 O LYS A 33 -5.826 11.152 8.401 1.00 0.00 O ATOM 519 CB LYS A 33 -8.529 11.888 6.822 1.00 0.00 C ATOM 520 CG LYS A 33 -7.867 13.227 7.112 1.00 0.00 C ATOM 521 CD LYS A 33 -8.892 14.329 7.343 1.00 0.00 C ATOM 522 CE LYS A 33 -9.705 14.632 6.092 1.00 0.00 C ATOM 523 NZ LYS A 33 -8.868 15.191 4.997 1.00 0.00 N ATOM 0 H LYS A 33 -9.252 9.532 6.519 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.787 10.928 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.047 11.948 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.285 11.694 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.230 13.134 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.221 13.501 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.565 14.034 8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.381 15.235 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.189 13.719 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.497 15.339 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.482 15.538 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.295 15.977 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.240 14.449 4.627 1.00 0.00 H new ATOM 537 N LYS A 34 -7.423 9.686 8.979 1.00 0.00 N ATOM 538 CA LYS A 34 -6.863 9.431 10.302 1.00 0.00 C ATOM 539 C LYS A 34 -6.148 8.079 10.346 1.00 0.00 C ATOM 540 O LYS A 34 -6.076 7.438 11.399 1.00 0.00 O ATOM 541 CB LYS A 34 -7.966 9.479 11.368 1.00 0.00 C ATOM 542 CG LYS A 34 -8.492 10.877 11.663 1.00 0.00 C ATOM 543 CD LYS A 34 -7.409 11.780 12.231 1.00 0.00 C ATOM 544 CE LYS A 34 -7.976 13.108 12.715 1.00 0.00 C ATOM 545 NZ LYS A 34 -8.700 13.839 11.638 1.00 0.00 N ATOM 0 H LYS A 34 -8.270 9.157 8.771 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.132 10.211 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.796 8.852 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.582 9.046 12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.889 11.317 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.319 10.812 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.911 11.274 13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.652 11.964 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.655 12.929 13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.165 13.731 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.950 14.792 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.090 13.916 10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.567 13.321 11.389 1.00 0.00 H new ATOM 559 N TRP A 35 -5.611 7.668 9.193 1.00 0.00 N ATOM 560 CA TRP A 35 -4.909 6.389 9.051 1.00 0.00 C ATOM 561 C TRP A 35 -5.734 5.211 9.572 1.00 0.00 C ATOM 562 O TRP A 35 -5.264 4.429 10.400 1.00 0.00 O ATOM 563 CB TRP A 35 -3.559 6.438 9.766 1.00 0.00 C ATOM 564 CG TRP A 35 -2.557 7.326 9.097 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.276 8.624 9.409 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.704 6.981 7.999 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.294 9.105 8.579 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.929 8.117 7.703 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.516 5.820 7.240 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.015 8.129 6.681 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.579 5.833 6.225 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.178 6.978 5.953 1.00 0.00 C ATOM 0 H TRP A 35 -5.651 8.213 8.332 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.750 6.231 7.984 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.712 6.783 10.789 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.153 5.428 9.827 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.756 9.190 10.194 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.900 10.045 8.610 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.093 4.930 7.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.598 9.013 6.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.428 4.944 5.631 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.905 6.955 5.154 1.00 0.00 H new ATOM 583 N GLU A 36 -6.959 5.092 9.088 1.00 0.00 N ATOM 584 CA GLU A 36 -7.830 3.990 9.464 1.00 0.00 C ATOM 585 C GLU A 36 -8.420 3.335 8.226 1.00 0.00 C ATOM 586 O GLU A 36 -9.191 3.949 7.490 1.00 0.00 O ATOM 587 CB GLU A 36 -8.940 4.483 10.386 1.00 0.00 C ATOM 588 CG GLU A 36 -8.434 4.940 11.738 1.00 0.00 C ATOM 589 CD GLU A 36 -9.522 5.518 12.609 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.199 4.742 13.311 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.697 6.752 12.608 1.00 0.00 O ATOM 0 H GLU A 36 -7.375 5.750 8.429 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.239 3.247 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.464 5.308 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.667 3.683 10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.974 4.096 12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.655 5.689 11.594 1.00 0.00 H new ATOM 598 N PHE A 37 -8.037 2.090 7.999 1.00 0.00 N ATOM 599 CA PHE A 37 -8.470 1.353 6.820 1.00 0.00 C ATOM 600 C PHE A 37 -9.232 0.097 7.232 1.00 0.00 C ATOM 601 O PHE A 37 -8.625 -0.952 7.460 1.00 0.00 O ATOM 602 CB PHE A 37 -7.255 0.963 5.962 1.00 0.00 C ATOM 603 CG PHE A 37 -6.334 2.114 5.653 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.407 2.544 6.593 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.392 2.766 4.430 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.562 3.602 6.321 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.547 3.824 4.155 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.632 4.243 5.102 1.00 0.00 C ATOM 0 H PHE A 37 -7.422 1.564 8.620 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.130 1.993 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.691 0.187 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.607 0.530 5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.346 2.045 7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.105 2.443 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.847 3.927 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.602 4.324 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.973 5.071 4.888 1.00 0.00 H new ATOM 618 N PRO A 38 -10.566 0.189 7.364 1.00 0.00 N ATOM 619 CA PRO A 38 -11.408 -0.967 7.681 1.00 0.00 C ATOM 620 C PRO A 38 -11.291 -2.069 6.640 1.00 0.00 C ATOM 621 O PRO A 38 -11.205 -1.805 5.438 1.00 0.00 O ATOM 622 CB PRO A 38 -12.825 -0.399 7.687 1.00 0.00 C ATOM 623 CG PRO A 38 -12.642 1.054 7.938 1.00 0.00 C ATOM 624 CD PRO A 38 -11.363 1.420 7.234 1.00 0.00 C ATOM 0 HA PRO A 38 -11.117 -1.427 8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.328 -0.577 6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.435 -0.862 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.483 1.629 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.577 1.264 9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.535 1.684 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.872 2.273 7.702 1.00 0.00 H new ATOM 632 N GLU A 39 -11.288 -3.299 7.114 1.00 0.00 N ATOM 633 CA GLU A 39 -11.194 -4.456 6.245 1.00 0.00 C ATOM 634 C GLU A 39 -12.518 -4.679 5.518 1.00 0.00 C ATOM 635 O GLU A 39 -13.431 -5.330 6.035 1.00 0.00 O ATOM 636 CB GLU A 39 -10.789 -5.684 7.062 1.00 0.00 C ATOM 637 CG GLU A 39 -10.606 -6.948 6.238 1.00 0.00 C ATOM 638 CD GLU A 39 -9.917 -8.049 7.013 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.715 -8.284 6.779 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.569 -8.679 7.872 1.00 0.00 O ATOM 0 H GLU A 39 -11.350 -3.524 8.107 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.427 -4.282 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.858 -5.467 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.548 -5.867 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.580 -7.301 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.023 -6.716 5.347 1.00 0.00 H new ATOM 647 N ASP A 40 -12.617 -4.102 4.327 1.00 0.00 N ATOM 648 CA ASP A 40 -13.826 -4.187 3.511 1.00 0.00 C ATOM 649 C ASP A 40 -13.481 -4.001 2.037 1.00 0.00 C ATOM 650 O ASP A 40 -12.525 -3.289 1.727 1.00 0.00 O ATOM 651 CB ASP A 40 -14.856 -3.130 3.938 1.00 0.00 C ATOM 652 CG ASP A 40 -16.175 -3.269 3.203 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.318 -2.699 2.099 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.079 -3.953 3.733 1.00 0.00 O ATOM 0 H ASP A 40 -11.865 -3.563 3.899 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.262 -5.175 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.032 -3.212 5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.447 -2.136 3.757 1.00 0.00 H new ATOM 659 N ASP A 41 -14.243 -4.631 1.145 1.00 0.00 N ATOM 660 CA ASP A 41 -13.942 -4.612 -0.297 1.00 0.00 C ATOM 661 C ASP A 41 -13.702 -3.190 -0.807 1.00 0.00 C ATOM 662 O ASP A 41 -12.735 -2.937 -1.535 1.00 0.00 O ATOM 663 CB ASP A 41 -15.077 -5.258 -1.096 1.00 0.00 C ATOM 664 CG ASP A 41 -14.732 -5.424 -2.565 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.955 -6.343 -2.894 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.251 -4.654 -3.401 1.00 0.00 O ATOM 0 H ASP A 41 -15.077 -5.164 1.390 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.027 -5.186 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.309 -6.233 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.975 -4.648 -1.004 1.00 0.00 H new ATOM 671 N THR A 42 -14.571 -2.267 -0.398 1.00 0.00 N ATOM 672 CA THR A 42 -14.463 -0.864 -0.783 1.00 0.00 C ATOM 673 C THR A 42 -13.065 -0.304 -0.499 1.00 0.00 C ATOM 674 O THR A 42 -12.407 0.234 -1.395 1.00 0.00 O ATOM 675 CB THR A 42 -15.516 -0.024 -0.037 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.834 -0.451 -0.412 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.350 1.451 -0.343 1.00 0.00 C ATOM 0 H THR A 42 -15.366 -2.471 0.207 1.00 0.00 H new ATOM 0 HA THR A 42 -14.640 -0.806 -1.857 1.00 0.00 H new ATOM 0 HB THR A 42 -15.375 -0.171 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.500 0.085 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.106 2.022 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.358 1.778 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.467 1.616 -1.414 1.00 0.00 H new ATOM 685 N THR A 43 -12.620 -0.447 0.743 1.00 0.00 N ATOM 686 CA THR A 43 -11.302 0.016 1.157 1.00 0.00 C ATOM 687 C THR A 43 -10.199 -0.684 0.363 1.00 0.00 C ATOM 688 O THR A 43 -9.166 -0.091 0.049 1.00 0.00 O ATOM 689 CB THR A 43 -11.094 -0.254 2.658 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.207 0.261 3.404 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.804 0.383 3.158 1.00 0.00 C ATOM 0 H THR A 43 -13.160 -0.885 1.489 1.00 0.00 H new ATOM 0 HA THR A 43 -11.248 1.087 0.964 1.00 0.00 H new ATOM 0 HB THR A 43 -11.022 -1.332 2.802 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.275 -0.213 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.684 0.175 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.958 -0.031 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.846 1.461 3.001 1.00 0.00 H new ATOM 699 N MET A 44 -10.443 -1.938 0.016 1.00 0.00 N ATOM 700 CA MET A 44 -9.444 -2.760 -0.649 1.00 0.00 C ATOM 701 C MET A 44 -9.186 -2.280 -2.072 1.00 0.00 C ATOM 702 O MET A 44 -8.037 -2.079 -2.470 1.00 0.00 O ATOM 703 CB MET A 44 -9.885 -4.220 -0.655 1.00 0.00 C ATOM 704 CG MET A 44 -10.081 -4.786 0.737 1.00 0.00 C ATOM 705 SD MET A 44 -10.701 -6.473 0.730 1.00 0.00 S ATOM 706 CE MET A 44 -10.855 -6.752 2.490 1.00 0.00 C ATOM 0 H MET A 44 -11.331 -2.411 0.185 1.00 0.00 H new ATOM 0 HA MET A 44 -8.511 -2.671 -0.093 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.818 -4.310 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.140 -4.816 -1.182 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.132 -4.756 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.777 -4.152 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.969 -7.819 2.681 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.961 -6.387 2.996 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.728 -6.220 2.868 1.00 0.00 H new ATOM 716 N CYS A 45 -10.252 -2.091 -2.839 1.00 0.00 N ATOM 717 CA CYS A 45 -10.118 -1.601 -4.206 1.00 0.00 C ATOM 718 C CYS A 45 -9.558 -0.186 -4.216 1.00 0.00 C ATOM 719 O CYS A 45 -8.864 0.205 -5.155 1.00 0.00 O ATOM 720 CB CYS A 45 -11.455 -1.650 -4.950 1.00 0.00 C ATOM 721 SG CYS A 45 -12.089 -3.339 -5.220 1.00 0.00 S ATOM 0 H CYS A 45 -11.212 -2.268 -2.542 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.420 -2.257 -4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.194 -1.081 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.341 -1.157 -5.915 1.00 0.00 H new ATOM 726 N TYR A 46 -9.848 0.572 -3.161 1.00 0.00 N ATOM 727 CA TYR A 46 -9.309 1.913 -3.014 1.00 0.00 C ATOM 728 C TYR A 46 -7.789 1.865 -2.961 1.00 0.00 C ATOM 729 O TYR A 46 -7.111 2.563 -3.714 1.00 0.00 O ATOM 730 CB TYR A 46 -9.880 2.575 -1.758 1.00 0.00 C ATOM 731 CG TYR A 46 -9.114 3.801 -1.311 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.085 4.951 -2.091 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.422 3.806 -0.106 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.389 6.070 -1.680 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.723 4.922 0.310 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.711 6.050 -0.483 1.00 0.00 C ATOM 737 OH TYR A 46 -7.033 7.170 -0.072 1.00 0.00 O ATOM 0 H TYR A 46 -10.455 0.276 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.601 2.511 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.917 2.854 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.888 1.847 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.615 4.969 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.431 2.923 0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.377 6.957 -2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.190 4.911 1.249 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.967 7.172 0.906 1.00 0.00 H new ATOM 747 N ILE A 47 -7.266 1.013 -2.085 1.00 0.00 N ATOM 748 CA ILE A 47 -5.828 0.839 -1.950 1.00 0.00 C ATOM 749 C ILE A 47 -5.215 0.378 -3.268 1.00 0.00 C ATOM 750 O ILE A 47 -4.127 0.813 -3.640 1.00 0.00 O ATOM 751 CB ILE A 47 -5.485 -0.172 -0.832 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.919 0.376 0.538 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.997 -0.511 -0.837 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.287 1.707 0.906 1.00 0.00 C ATOM 0 H ILE A 47 -7.821 0.431 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.406 1.807 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.035 -1.093 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.003 0.487 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.669 -0.357 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.784 -1.224 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.727 -0.949 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.416 0.397 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.646 2.022 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.203 1.599 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.558 2.456 0.162 1.00 0.00 H new ATOM 766 N LYS A 48 -5.934 -0.482 -3.980 1.00 0.00 N ATOM 767 CA LYS A 48 -5.473 -0.997 -5.260 1.00 0.00 C ATOM 768 C LYS A 48 -5.245 0.142 -6.248 1.00 0.00 C ATOM 769 O LYS A 48 -4.169 0.262 -6.832 1.00 0.00 O ATOM 770 CB LYS A 48 -6.491 -1.977 -5.842 1.00 0.00 C ATOM 771 CG LYS A 48 -6.012 -2.660 -7.115 1.00 0.00 C ATOM 772 CD LYS A 48 -7.105 -3.494 -7.764 1.00 0.00 C ATOM 773 CE LYS A 48 -8.305 -2.651 -8.167 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.321 -3.453 -8.899 1.00 0.00 N ATOM 0 H LYS A 48 -6.844 -0.838 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.530 -1.517 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.721 -2.737 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.419 -1.444 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.665 -1.906 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.159 -3.298 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.703 -3.996 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.426 -4.273 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.758 -2.215 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.974 -1.823 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.885 -2.826 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.843 -4.167 -9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.946 -3.928 -8.217 1.00 0.00 H new ATOM 788 N CYS A 49 -6.269 0.975 -6.427 1.00 0.00 N ATOM 789 CA CYS A 49 -6.195 2.102 -7.353 1.00 0.00 C ATOM 790 C CYS A 49 -5.046 3.041 -6.996 1.00 0.00 C ATOM 791 O CYS A 49 -4.270 3.446 -7.863 1.00 0.00 O ATOM 792 CB CYS A 49 -7.523 2.868 -7.366 1.00 0.00 C ATOM 793 SG CYS A 49 -7.471 4.449 -8.281 1.00 0.00 S ATOM 0 H CYS A 49 -7.162 0.889 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.005 1.704 -8.350 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.291 2.232 -7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.824 3.067 -6.338 1.00 0.00 H new ATOM 798 N VAL A 50 -4.932 3.366 -5.712 1.00 0.00 N ATOM 799 CA VAL A 50 -3.917 4.289 -5.240 1.00 0.00 C ATOM 800 C VAL A 50 -2.519 3.739 -5.489 1.00 0.00 C ATOM 801 O VAL A 50 -1.669 4.409 -6.077 1.00 0.00 O ATOM 802 CB VAL A 50 -4.105 4.583 -3.741 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.993 5.463 -3.210 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.450 5.236 -3.502 1.00 0.00 C ATOM 0 H VAL A 50 -5.537 2.998 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.028 5.218 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.068 3.635 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.154 5.653 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.035 4.962 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.988 6.409 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.572 5.439 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.504 6.172 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.243 4.568 -3.837 1.00 0.00 H new ATOM 814 N PHE A 51 -2.306 2.499 -5.075 1.00 0.00 N ATOM 815 CA PHE A 51 -1.012 1.848 -5.208 1.00 0.00 C ATOM 816 C PHE A 51 -0.643 1.660 -6.678 1.00 0.00 C ATOM 817 O PHE A 51 0.534 1.605 -7.040 1.00 0.00 O ATOM 818 CB PHE A 51 -1.039 0.499 -4.485 1.00 0.00 C ATOM 819 CG PHE A 51 -0.666 0.571 -3.031 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.035 -0.499 -2.415 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.946 1.703 -2.277 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.306 -0.443 -1.078 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.605 1.762 -0.941 1.00 0.00 C ATOM 824 CZ PHE A 51 0.021 0.690 -0.341 1.00 0.00 C ATOM 0 H PHE A 51 -3.022 1.918 -4.639 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.252 2.484 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.039 0.073 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.357 -0.185 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.192 -1.386 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.436 2.546 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.795 -1.284 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.829 2.648 -0.365 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.288 0.736 0.704 1.00 0.00 H new ATOM 834 N ASN A 52 -1.660 1.580 -7.520 1.00 0.00 N ATOM 835 CA ASN A 52 -1.463 1.375 -8.946 1.00 0.00 C ATOM 836 C ASN A 52 -1.042 2.679 -9.618 1.00 0.00 C ATOM 837 O ASN A 52 -0.140 2.696 -10.457 1.00 0.00 O ATOM 838 CB ASN A 52 -2.748 0.840 -9.586 1.00 0.00 C ATOM 839 CG ASN A 52 -2.584 0.505 -11.059 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.520 0.656 -11.846 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.412 0.019 -11.441 1.00 0.00 N ATOM 0 H ASN A 52 -2.637 1.655 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.669 0.641 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.070 -0.053 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.539 1.582 -9.474 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.262 -0.244 -12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.660 -0.092 -10.761 1.00 0.00 H new ATOM 848 N LYS A 53 -1.680 3.774 -9.224 1.00 0.00 N ATOM 849 CA LYS A 53 -1.396 5.077 -9.813 1.00 0.00 C ATOM 850 C LYS A 53 -0.088 5.651 -9.285 1.00 0.00 C ATOM 851 O LYS A 53 0.536 6.490 -9.929 1.00 0.00 O ATOM 852 CB LYS A 53 -2.548 6.051 -9.549 1.00 0.00 C ATOM 853 CG LYS A 53 -3.737 5.858 -10.483 1.00 0.00 C ATOM 854 CD LYS A 53 -4.824 6.895 -10.246 1.00 0.00 C ATOM 855 CE LYS A 53 -5.968 6.711 -11.230 1.00 0.00 C ATOM 856 NZ LYS A 53 -7.035 7.727 -11.047 1.00 0.00 N ATOM 0 H LYS A 53 -2.398 3.786 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.293 4.938 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.883 5.933 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.180 7.072 -9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.399 5.918 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.151 4.860 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.198 6.810 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.407 7.897 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.583 6.771 -12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.393 5.715 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.669 7.717 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.580 7.507 -10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.605 8.669 -10.952 1.00 0.00 H new ATOM 870 N MET A 54 0.326 5.188 -8.116 1.00 0.00 N ATOM 871 CA MET A 54 1.590 5.615 -7.529 1.00 0.00 C ATOM 872 C MET A 54 2.758 4.828 -8.112 1.00 0.00 C ATOM 873 O MET A 54 3.918 5.087 -7.790 1.00 0.00 O ATOM 874 CB MET A 54 1.552 5.442 -6.014 1.00 0.00 C ATOM 875 CG MET A 54 0.690 6.470 -5.311 1.00 0.00 C ATOM 876 SD MET A 54 0.301 6.005 -3.617 1.00 0.00 S ATOM 877 CE MET A 54 1.861 6.306 -2.799 1.00 0.00 C ATOM 0 H MET A 54 -0.195 4.515 -7.553 1.00 0.00 H new ATOM 0 HA MET A 54 1.734 6.669 -7.767 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.179 4.445 -5.779 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.568 5.503 -5.624 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.204 7.431 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.237 6.604 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.786 6.011 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.645 5.724 -3.285 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.105 7.366 -2.860 1.00 0.00 H new ATOM 887 N GLN A 55 2.423 3.877 -8.991 1.00 0.00 N ATOM 888 CA GLN A 55 3.397 2.979 -9.601 1.00 0.00 C ATOM 889 C GLN A 55 4.129 2.165 -8.541 1.00 0.00 C ATOM 890 O GLN A 55 5.354 2.058 -8.553 1.00 0.00 O ATOM 891 CB GLN A 55 4.389 3.758 -10.464 1.00 0.00 C ATOM 892 CG GLN A 55 3.731 4.482 -11.622 1.00 0.00 C ATOM 893 CD GLN A 55 4.726 5.240 -12.478 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.761 5.697 -11.994 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.421 5.377 -13.756 1.00 0.00 N ATOM 0 H GLN A 55 1.464 3.712 -9.297 1.00 0.00 H new ATOM 0 HA GLN A 55 2.856 2.286 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.912 4.483 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.140 3.071 -10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.200 3.760 -12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.987 5.178 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.553 4.983 -14.118 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.054 5.877 -14.381 1.00 0.00 H new ATOM 904 N LEU A 56 3.364 1.581 -7.634 1.00 0.00 N ATOM 905 CA LEU A 56 3.932 0.828 -6.527 1.00 0.00 C ATOM 906 C LEU A 56 3.382 -0.594 -6.497 1.00 0.00 C ATOM 907 O LEU A 56 3.966 -1.493 -5.890 1.00 0.00 O ATOM 908 CB LEU A 56 3.646 1.564 -5.211 1.00 0.00 C ATOM 909 CG LEU A 56 4.795 2.438 -4.708 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.381 3.202 -3.462 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.024 1.596 -4.421 1.00 0.00 C ATOM 0 H LEU A 56 2.345 1.614 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 56 5.011 0.753 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.763 2.189 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.404 0.829 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 56 5.041 3.156 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.213 3.818 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.528 3.840 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.105 2.497 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.830 2.238 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.787 0.854 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.340 1.091 -5.334 1.00 0.00 H new ATOM 923 N PHE A 57 2.257 -0.790 -7.170 1.00 0.00 N ATOM 924 CA PHE A 57 1.634 -2.098 -7.267 1.00 0.00 C ATOM 925 C PHE A 57 1.076 -2.286 -8.668 1.00 0.00 C ATOM 926 O PHE A 57 0.489 -1.366 -9.244 1.00 0.00 O ATOM 927 CB PHE A 57 0.516 -2.253 -6.220 1.00 0.00 C ATOM 928 CG PHE A 57 -0.219 -3.565 -6.295 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.375 -3.687 -7.054 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.242 -4.675 -5.604 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.052 -4.889 -7.121 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.433 -5.878 -5.670 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.580 -5.985 -6.428 1.00 0.00 C ATOM 0 H PHE A 57 1.755 -0.050 -7.661 1.00 0.00 H new ATOM 0 HA PHE A 57 2.385 -2.863 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.948 -2.147 -5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.200 -1.440 -6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.749 -2.832 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.139 -4.598 -5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.950 -4.971 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.062 -6.735 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.108 -6.926 -6.479 1.00 0.00 H new ATOM 943 N ASP A 58 1.276 -3.469 -9.210 1.00 0.00 N ATOM 944 CA ASP A 58 0.790 -3.801 -10.538 1.00 0.00 C ATOM 945 C ASP A 58 -0.115 -5.024 -10.454 1.00 0.00 C ATOM 946 O ASP A 58 0.138 -5.932 -9.667 1.00 0.00 O ATOM 947 CB ASP A 58 1.974 -4.059 -11.475 1.00 0.00 C ATOM 948 CG ASP A 58 1.543 -4.459 -12.867 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.075 -3.585 -13.627 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.679 -5.648 -13.212 1.00 0.00 O ATOM 0 H ASP A 58 1.778 -4.227 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 58 0.214 -2.968 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.587 -3.160 -11.534 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.600 -4.845 -11.054 1.00 0.00 H new ATOM 955 N ASP A 59 -1.175 -5.041 -11.252 1.00 0.00 N ATOM 956 CA ASP A 59 -2.174 -6.110 -11.180 1.00 0.00 C ATOM 957 C ASP A 59 -1.643 -7.403 -11.786 1.00 0.00 C ATOM 958 O ASP A 59 -2.246 -8.462 -11.634 1.00 0.00 O ATOM 959 CB ASP A 59 -3.464 -5.692 -11.890 1.00 0.00 C ATOM 960 CG ASP A 59 -3.283 -5.489 -13.382 1.00 0.00 C ATOM 961 OD1 ASP A 59 -2.776 -4.416 -13.781 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.656 -6.393 -14.161 1.00 0.00 O ATOM 0 H ASP A 59 -1.369 -4.330 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.391 -6.288 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.227 -6.453 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.833 -4.768 -11.446 1.00 0.00 H new ATOM 967 N THR A 60 -0.521 -7.306 -12.478 1.00 0.00 N ATOM 968 CA THR A 60 0.115 -8.466 -13.069 1.00 0.00 C ATOM 969 C THR A 60 1.272 -8.969 -12.199 1.00 0.00 C ATOM 970 O THR A 60 1.222 -10.078 -11.668 1.00 0.00 O ATOM 971 CB THR A 60 0.628 -8.129 -14.480 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.479 -7.827 -15.341 1.00 0.00 O ATOM 973 CG2 THR A 60 1.442 -9.269 -15.060 1.00 0.00 C ATOM 0 H THR A 60 -0.030 -6.428 -12.644 1.00 0.00 H new ATOM 0 HA THR A 60 -0.630 -9.259 -13.136 1.00 0.00 H new ATOM 0 HB THR A 60 1.279 -7.258 -14.405 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.147 -7.611 -16.237 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.789 -8.998 -16.057 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.301 -9.466 -14.418 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.822 -10.164 -15.122 1.00 0.00 H new ATOM 981 N GLU A 61 2.302 -8.141 -12.048 1.00 0.00 N ATOM 982 CA GLU A 61 3.508 -8.530 -11.319 1.00 0.00 C ATOM 983 C GLU A 61 3.314 -8.436 -9.805 1.00 0.00 C ATOM 984 O GLU A 61 4.106 -8.987 -9.035 1.00 0.00 O ATOM 985 CB GLU A 61 4.681 -7.645 -11.730 1.00 0.00 C ATOM 986 CG GLU A 61 4.769 -7.408 -13.222 1.00 0.00 C ATOM 987 CD GLU A 61 5.926 -6.507 -13.597 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.033 -7.027 -13.831 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.733 -5.276 -13.666 1.00 0.00 O ATOM 0 H GLU A 61 2.326 -7.192 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 61 3.718 -9.569 -11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.595 -6.684 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.609 -8.104 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.877 -8.365 -13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.838 -6.963 -13.572 1.00 0.00 H new ATOM 996 N GLY A 62 2.268 -7.746 -9.379 1.00 0.00 N ATOM 997 CA GLY A 62 2.037 -7.561 -7.960 1.00 0.00 C ATOM 998 C GLY A 62 2.806 -6.384 -7.395 1.00 0.00 C ATOM 999 O GLY A 62 3.064 -5.410 -8.103 1.00 0.00 O ATOM 0 H GLY A 62 1.575 -7.311 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.971 -7.412 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.324 -8.468 -7.427 1.00 0.00 H new ATOM 1003 N PRO A 63 3.161 -6.442 -6.104 1.00 0.00 N ATOM 1004 CA PRO A 63 3.952 -5.402 -5.443 1.00 0.00 C ATOM 1005 C PRO A 63 5.304 -5.208 -6.118 1.00 0.00 C ATOM 1006 O PRO A 63 6.102 -6.142 -6.220 1.00 0.00 O ATOM 1007 CB PRO A 63 4.136 -5.928 -4.014 1.00 0.00 C ATOM 1008 CG PRO A 63 3.066 -6.946 -3.829 1.00 0.00 C ATOM 1009 CD PRO A 63 2.813 -7.536 -5.190 1.00 0.00 C ATOM 0 HA PRO A 63 3.461 -4.430 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.124 -6.368 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.044 -5.124 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.378 -7.715 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.161 -6.491 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.428 -8.418 -5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.774 -7.843 -5.308 1.00 0.00 H new ATOM 1017 N LEU A 64 5.554 -3.993 -6.579 1.00 0.00 N ATOM 1018 CA LEU A 64 6.790 -3.681 -7.282 1.00 0.00 C ATOM 1019 C LEU A 64 7.899 -3.413 -6.280 1.00 0.00 C ATOM 1020 O LEU A 64 8.115 -2.278 -5.863 1.00 0.00 O ATOM 1021 CB LEU A 64 6.592 -2.478 -8.205 1.00 0.00 C ATOM 1022 CG LEU A 64 5.377 -2.589 -9.126 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.185 -1.314 -9.931 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.533 -3.785 -10.047 1.00 0.00 C ATOM 0 H LEU A 64 4.916 -3.204 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 64 7.073 -4.535 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.492 -1.580 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.486 -2.351 -8.815 1.00 0.00 H new ATOM 0 HG LEU A 64 4.488 -2.731 -8.511 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.314 -1.420 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.033 -0.475 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.070 -1.132 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.663 -3.857 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.432 -3.664 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.616 -4.694 -9.452 1.00 0.00 H new ATOM 1036 N VAL A 65 8.587 -4.487 -5.911 1.00 0.00 N ATOM 1037 CA VAL A 65 9.606 -4.471 -4.864 1.00 0.00 C ATOM 1038 C VAL A 65 10.611 -3.336 -5.036 1.00 0.00 C ATOM 1039 O VAL A 65 10.922 -2.635 -4.077 1.00 0.00 O ATOM 1040 CB VAL A 65 10.361 -5.812 -4.812 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.500 -5.763 -3.799 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.404 -6.941 -4.483 1.00 0.00 C ATOM 0 H VAL A 65 8.453 -5.405 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 65 9.074 -4.308 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 65 10.795 -5.996 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.015 -6.723 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.203 -4.979 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.097 -5.552 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.951 -7.883 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.941 -6.755 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.631 -6.997 -5.249 1.00 0.00 H new ATOM 1052 N ASP A 66 11.111 -3.153 -6.251 1.00 0.00 N ATOM 1053 CA ASP A 66 12.124 -2.132 -6.513 1.00 0.00 C ATOM 1054 C ASP A 66 11.613 -0.734 -6.170 1.00 0.00 C ATOM 1055 O ASP A 66 12.257 0.003 -5.420 1.00 0.00 O ATOM 1056 CB ASP A 66 12.572 -2.188 -7.969 1.00 0.00 C ATOM 1057 CG ASP A 66 13.582 -1.107 -8.309 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.733 -1.191 -7.835 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.231 -0.176 -9.067 1.00 0.00 O ATOM 0 H ASP A 66 10.835 -3.695 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 66 12.979 -2.342 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.008 -3.166 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.702 -2.085 -8.618 1.00 0.00 H new ATOM 1064 N ASN A 67 10.446 -0.375 -6.701 1.00 0.00 N ATOM 1065 CA ASN A 67 9.841 0.919 -6.399 1.00 0.00 C ATOM 1066 C ASN A 67 9.480 1.001 -4.923 1.00 0.00 C ATOM 1067 O ASN A 67 9.582 2.059 -4.307 1.00 0.00 O ATOM 1068 CB ASN A 67 8.592 1.165 -7.251 1.00 0.00 C ATOM 1069 CG ASN A 67 8.908 1.519 -8.696 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.931 1.110 -9.248 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.026 2.285 -9.319 1.00 0.00 N ATOM 0 H ASN A 67 9.904 -0.958 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 67 10.574 1.690 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.966 0.273 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.010 1.972 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.182 2.556 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.191 2.604 -8.828 1.00 0.00 H new ATOM 1078 N LEU A 68 9.077 -0.132 -4.364 1.00 0.00 N ATOM 1079 CA LEU A 68 8.696 -0.217 -2.960 1.00 0.00 C ATOM 1080 C LEU A 68 9.862 0.124 -2.044 1.00 0.00 C ATOM 1081 O LEU A 68 9.717 0.910 -1.116 1.00 0.00 O ATOM 1082 CB LEU A 68 8.158 -1.609 -2.642 1.00 0.00 C ATOM 1083 CG LEU A 68 6.690 -1.820 -2.998 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.355 -3.298 -3.016 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.802 -1.095 -2.004 1.00 0.00 C ATOM 0 H LEU A 68 9.005 -1.015 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 68 7.910 0.516 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.757 -2.346 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.291 -1.801 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 68 6.513 -1.412 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.304 -3.430 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.975 -3.803 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.545 -3.726 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.756 -1.253 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.986 -1.482 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.025 -0.028 -2.027 1.00 0.00 H new ATOM 1097 N VAL A 69 11.015 -0.465 -2.312 1.00 0.00 N ATOM 1098 CA VAL A 69 12.209 -0.189 -1.532 1.00 0.00 C ATOM 1099 C VAL A 69 12.687 1.240 -1.766 1.00 0.00 C ATOM 1100 O VAL A 69 13.037 1.941 -0.825 1.00 0.00 O ATOM 1101 CB VAL A 69 13.331 -1.179 -1.867 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.583 -0.851 -1.079 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.885 -2.600 -1.582 1.00 0.00 C ATOM 0 H VAL A 69 11.149 -1.139 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 69 11.951 -0.307 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 69 13.560 -1.093 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.368 -1.564 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.915 0.157 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.367 -0.909 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.693 -3.290 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.630 -2.697 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.011 -2.836 -2.189 1.00 0.00 H new ATOM 1113 N HIS A 70 12.665 1.678 -3.018 1.00 0.00 N ATOM 1114 CA HIS A 70 13.078 3.041 -3.356 1.00 0.00 C ATOM 1115 C HIS A 70 12.211 4.075 -2.638 1.00 0.00 C ATOM 1116 O HIS A 70 12.669 5.172 -2.319 1.00 0.00 O ATOM 1117 CB HIS A 70 13.014 3.265 -4.869 1.00 0.00 C ATOM 1118 CG HIS A 70 14.113 2.586 -5.632 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.306 2.753 -6.985 1.00 0.00 N ATOM 1120 CD2 HIS A 70 15.091 1.745 -5.220 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.352 2.047 -7.370 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.848 1.428 -6.318 1.00 0.00 N ATOM 0 H HIS A 70 12.368 1.115 -3.815 1.00 0.00 H new ATOM 0 HA HIS A 70 14.108 3.166 -3.023 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.053 2.907 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.054 4.336 -5.070 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.246 1.389 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.737 1.987 -8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.662 0.813 -6.320 1.00 0.00 H new ATOM 1131 N GLN A 71 10.965 3.710 -2.377 1.00 0.00 N ATOM 1132 CA GLN A 71 10.020 4.600 -1.714 1.00 0.00 C ATOM 1133 C GLN A 71 10.092 4.452 -0.194 1.00 0.00 C ATOM 1134 O GLN A 71 10.381 5.413 0.521 1.00 0.00 O ATOM 1135 CB GLN A 71 8.594 4.295 -2.182 1.00 0.00 C ATOM 1136 CG GLN A 71 7.584 5.365 -1.790 1.00 0.00 C ATOM 1137 CD GLN A 71 7.865 6.709 -2.433 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.366 6.786 -3.552 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.557 7.784 -1.721 1.00 0.00 N ATOM 0 H GLN A 71 10.581 2.796 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 71 10.286 5.624 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.592 4.184 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.279 3.339 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.585 5.035 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.586 5.479 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.142 7.681 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.735 8.714 -2.099 1.00 0.00 H new ATOM 1148 N LEU A 72 9.816 3.248 0.290 1.00 0.00 N ATOM 1149 CA LEU A 72 9.734 2.983 1.728 1.00 0.00 C ATOM 1150 C LEU A 72 11.062 3.205 2.438 1.00 0.00 C ATOM 1151 O LEU A 72 11.093 3.759 3.534 1.00 0.00 O ATOM 1152 CB LEU A 72 9.237 1.562 1.994 1.00 0.00 C ATOM 1153 CG LEU A 72 7.769 1.312 1.647 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.424 -0.157 1.831 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.857 2.178 2.504 1.00 0.00 C ATOM 0 H LEU A 72 9.643 2.430 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 72 9.018 3.698 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.852 0.866 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.389 1.332 3.049 1.00 0.00 H new ATOM 0 HG LEU A 72 7.615 1.580 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.376 -0.319 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.051 -0.763 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.597 -0.444 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.817 1.984 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.014 1.942 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.085 3.230 2.330 1.00 0.00 H new ATOM 1167 N ALA A 73 12.160 2.780 1.819 1.00 0.00 N ATOM 1168 CA ALA A 73 13.488 2.950 2.403 1.00 0.00 C ATOM 1169 C ALA A 73 13.961 4.405 2.338 1.00 0.00 C ATOM 1170 O ALA A 73 15.151 4.679 2.167 1.00 0.00 O ATOM 1171 CB ALA A 73 14.480 2.031 1.718 1.00 0.00 C ATOM 0 H ALA A 73 12.157 2.314 0.911 1.00 0.00 H new ATOM 0 HA ALA A 73 13.424 2.682 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.467 2.166 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.164 0.996 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.524 2.270 0.655 1.00 0.00 H new ATOM 1177 N HIS A 74 13.015 5.324 2.462 1.00 0.00 N ATOM 1178 CA HIS A 74 13.295 6.752 2.447 1.00 0.00 C ATOM 1179 C HIS A 74 13.989 7.155 3.747 1.00 0.00 C ATOM 1180 O HIS A 74 13.345 7.598 4.697 1.00 0.00 O ATOM 1181 CB HIS A 74 11.982 7.538 2.261 1.00 0.00 C ATOM 1182 CG HIS A 74 12.145 9.025 2.161 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.643 9.897 3.102 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.728 9.795 1.211 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.910 11.135 2.736 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.568 11.104 1.591 1.00 0.00 N ATOM 0 H HIS A 74 12.027 5.099 2.576 1.00 0.00 H new ATOM 0 HA HIS A 74 13.958 6.985 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.486 7.180 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.320 7.315 3.098 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.226 9.444 0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.636 12.026 3.281 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.902 11.918 1.075 1.00 0.00 H new ATOM 1195 N GLY A 75 15.303 6.972 3.785 1.00 0.00 N ATOM 1196 CA GLY A 75 16.066 7.298 4.973 1.00 0.00 C ATOM 1197 C GLY A 75 16.304 6.087 5.851 1.00 0.00 C ATOM 1198 O GLY A 75 16.346 6.201 7.077 1.00 0.00 O ATOM 0 H GLY A 75 15.855 6.602 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.025 7.727 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.537 8.061 5.545 1.00 0.00 H new ATOM 1202 N ARG A 76 16.460 4.926 5.225 1.00 0.00 N ATOM 1203 CA ARG A 76 16.691 3.675 5.946 1.00 0.00 C ATOM 1204 C ARG A 76 17.475 2.694 5.085 1.00 0.00 C ATOM 1205 O ARG A 76 17.692 2.938 3.896 1.00 0.00 O ATOM 1206 CB ARG A 76 15.367 3.031 6.367 1.00 0.00 C ATOM 1207 CG ARG A 76 14.972 3.296 7.810 1.00 0.00 C ATOM 1208 CD ARG A 76 13.884 2.340 8.254 1.00 0.00 C ATOM 1209 NE ARG A 76 13.426 2.601 9.616 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.468 1.899 10.221 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.875 0.894 9.585 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.111 2.195 11.463 1.00 0.00 N ATOM 0 H ARG A 76 16.431 4.823 4.211 1.00 0.00 H new ATOM 0 HA ARG A 76 17.269 3.913 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.575 3.396 5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.436 1.954 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.843 3.188 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.624 4.324 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.039 2.415 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.256 1.317 8.190 1.00 0.00 H new ATOM 0 HE ARG A 76 13.864 3.363 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.153 0.659 8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.142 0.358 10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.570 2.961 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.378 1.657 11.925 1.00 0.00 H new ATOM 1226 N ASP A 77 17.898 1.591 5.698 1.00 0.00 N ATOM 1227 CA ASP A 77 18.607 0.529 4.994 1.00 0.00 C ATOM 1228 C ASP A 77 17.682 -0.165 4.009 1.00 0.00 C ATOM 1229 O ASP A 77 16.790 -0.923 4.400 1.00 0.00 O ATOM 1230 CB ASP A 77 19.163 -0.498 5.981 1.00 0.00 C ATOM 1231 CG ASP A 77 20.093 0.113 7.002 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.747 0.115 8.201 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.173 0.604 6.614 1.00 0.00 O ATOM 0 H ASP A 77 17.759 1.410 6.692 1.00 0.00 H new ATOM 0 HA ASP A 77 19.436 0.982 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.335 -0.985 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.695 -1.273 5.430 1.00 0.00 H new ATOM 1238 N ALA A 78 17.915 0.102 2.734 1.00 0.00 N ATOM 1239 CA ALA A 78 17.110 -0.447 1.652 1.00 0.00 C ATOM 1240 C ALA A 78 17.071 -1.970 1.684 1.00 0.00 C ATOM 1241 O ALA A 78 16.049 -2.577 1.373 1.00 0.00 O ATOM 1242 CB ALA A 78 17.660 0.029 0.324 1.00 0.00 C ATOM 0 H ALA A 78 18.672 0.709 2.418 1.00 0.00 H new ATOM 0 HA ALA A 78 16.087 -0.093 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.058 -0.381 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.627 1.118 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.691 -0.306 0.216 1.00 0.00 H new ATOM 1248 N GLU A 79 18.182 -2.578 2.070 1.00 0.00 N ATOM 1249 CA GLU A 79 18.288 -4.032 2.100 1.00 0.00 C ATOM 1250 C GLU A 79 17.332 -4.630 3.127 1.00 0.00 C ATOM 1251 O GLU A 79 16.680 -5.643 2.866 1.00 0.00 O ATOM 1252 CB GLU A 79 19.722 -4.455 2.397 1.00 0.00 C ATOM 1253 CG GLU A 79 20.699 -4.070 1.298 1.00 0.00 C ATOM 1254 CD GLU A 79 22.083 -4.631 1.525 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.859 -4.024 2.293 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.407 -5.679 0.929 1.00 0.00 O ATOM 0 H GLU A 79 19.025 -2.088 2.368 1.00 0.00 H new ATOM 0 HA GLU A 79 18.008 -4.412 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.042 -4.000 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.753 -5.535 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.320 -4.426 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.758 -2.983 1.234 1.00 0.00 H new ATOM 1263 N GLU A 80 17.242 -3.993 4.289 1.00 0.00 N ATOM 1264 CA GLU A 80 16.318 -4.428 5.325 1.00 0.00 C ATOM 1265 C GLU A 80 14.881 -4.250 4.850 1.00 0.00 C ATOM 1266 O GLU A 80 14.046 -5.145 5.005 1.00 0.00 O ATOM 1267 CB GLU A 80 16.544 -3.633 6.609 1.00 0.00 C ATOM 1268 CG GLU A 80 17.924 -3.822 7.212 1.00 0.00 C ATOM 1269 CD GLU A 80 18.249 -5.277 7.470 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.645 -5.875 8.384 1.00 0.00 O ATOM 1271 OE2 GLU A 80 19.108 -5.831 6.757 1.00 0.00 O ATOM 0 H GLU A 80 17.798 -3.174 4.535 1.00 0.00 H new ATOM 0 HA GLU A 80 16.498 -5.483 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.390 -2.574 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.794 -3.926 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.671 -3.400 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.987 -3.267 8.148 1.00 0.00 H new ATOM 1278 N VAL A 81 14.618 -3.090 4.254 1.00 0.00 N ATOM 1279 CA VAL A 81 13.305 -2.757 3.714 1.00 0.00 C ATOM 1280 C VAL A 81 12.857 -3.781 2.671 1.00 0.00 C ATOM 1281 O VAL A 81 11.729 -4.270 2.719 1.00 0.00 O ATOM 1282 CB VAL A 81 13.324 -1.348 3.095 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.001 -1.010 2.428 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.651 -0.332 4.165 1.00 0.00 C ATOM 0 H VAL A 81 15.312 -2.353 4.132 1.00 0.00 H new ATOM 0 HA VAL A 81 12.591 -2.777 4.537 1.00 0.00 H new ATOM 0 HB VAL A 81 14.092 -1.324 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.053 -0.008 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.799 -1.730 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.201 -1.049 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.665 0.666 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.895 -0.374 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.629 -0.555 4.591 1.00 0.00 H new ATOM 1294 N ARG A 82 13.756 -4.102 1.743 1.00 0.00 N ATOM 1295 CA ARG A 82 13.508 -5.106 0.714 1.00 0.00 C ATOM 1296 C ARG A 82 13.003 -6.407 1.329 1.00 0.00 C ATOM 1297 O ARG A 82 12.025 -6.987 0.863 1.00 0.00 O ATOM 1298 CB ARG A 82 14.798 -5.367 -0.055 1.00 0.00 C ATOM 1299 CG ARG A 82 14.612 -6.254 -1.268 1.00 0.00 C ATOM 1300 CD ARG A 82 15.951 -6.668 -1.842 1.00 0.00 C ATOM 1301 NE ARG A 82 15.819 -7.359 -3.122 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.783 -8.096 -3.670 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.939 -8.264 -3.037 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.590 -8.668 -4.852 1.00 0.00 N ATOM 0 H ARG A 82 14.679 -3.671 1.684 1.00 0.00 H new ATOM 0 HA ARG A 82 12.741 -4.730 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.220 -4.414 -0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.523 -5.829 0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.040 -7.140 -0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.034 -5.725 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.576 -5.785 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.462 -7.318 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 82 14.936 -7.272 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.091 -7.828 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.675 -8.829 -3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.703 -8.543 -5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.328 -9.233 -5.272 1.00 0.00 H new ATOM 1318 N THR A 83 13.664 -6.838 2.393 1.00 0.00 N ATOM 1319 CA THR A 83 13.328 -8.089 3.054 1.00 0.00 C ATOM 1320 C THR A 83 11.932 -8.036 3.680 1.00 0.00 C ATOM 1321 O THR A 83 11.096 -8.907 3.433 1.00 0.00 O ATOM 1322 CB THR A 83 14.382 -8.410 4.130 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.598 -8.827 3.498 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.903 -9.483 5.094 1.00 0.00 C ATOM 0 H THR A 83 14.442 -6.335 2.819 1.00 0.00 H new ATOM 0 HA THR A 83 13.324 -8.879 2.303 1.00 0.00 H new ATOM 0 HB THR A 83 14.555 -7.504 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.270 -9.030 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.678 -9.678 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.997 -9.143 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.690 -10.399 4.543 1.00 0.00 H new ATOM 1332 N GLU A 84 11.689 -7.007 4.485 1.00 0.00 N ATOM 1333 CA GLU A 84 10.402 -6.832 5.149 1.00 0.00 C ATOM 1334 C GLU A 84 9.253 -6.745 4.140 1.00 0.00 C ATOM 1335 O GLU A 84 8.177 -7.301 4.371 1.00 0.00 O ATOM 1336 CB GLU A 84 10.437 -5.585 6.031 1.00 0.00 C ATOM 1337 CG GLU A 84 11.573 -5.607 7.036 1.00 0.00 C ATOM 1338 CD GLU A 84 11.520 -4.465 8.028 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.910 -4.639 9.106 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.104 -3.400 7.751 1.00 0.00 O ATOM 0 H GLU A 84 12.371 -6.278 4.694 1.00 0.00 H new ATOM 0 HA GLU A 84 10.222 -7.707 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.534 -4.702 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.490 -5.495 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.549 -6.552 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.522 -5.570 6.501 1.00 0.00 H new ATOM 1347 N VAL A 85 9.482 -6.046 3.028 1.00 0.00 N ATOM 1348 CA VAL A 85 8.505 -5.984 1.947 1.00 0.00 C ATOM 1349 C VAL A 85 8.213 -7.377 1.394 1.00 0.00 C ATOM 1350 O VAL A 85 7.054 -7.778 1.287 1.00 0.00 O ATOM 1351 CB VAL A 85 8.994 -5.074 0.801 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.167 -5.295 -0.456 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.936 -3.618 1.224 1.00 0.00 C ATOM 0 H VAL A 85 10.336 -5.516 2.855 1.00 0.00 H new ATOM 0 HA VAL A 85 7.590 -5.564 2.365 1.00 0.00 H new ATOM 0 HB VAL A 85 10.029 -5.332 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.530 -4.643 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.255 -6.335 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.122 -5.067 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.284 -2.987 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.909 -3.353 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.573 -3.467 2.095 1.00 0.00 H new ATOM 1363 N LEU A 86 9.272 -8.111 1.061 1.00 0.00 N ATOM 1364 CA LEU A 86 9.148 -9.448 0.490 1.00 0.00 C ATOM 1365 C LEU A 86 8.359 -10.379 1.405 1.00 0.00 C ATOM 1366 O LEU A 86 7.637 -11.257 0.936 1.00 0.00 O ATOM 1367 CB LEU A 86 10.529 -10.041 0.224 1.00 0.00 C ATOM 1368 CG LEU A 86 11.310 -9.375 -0.900 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.754 -9.840 -0.881 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.668 -9.678 -2.241 1.00 0.00 C ATOM 0 H LEU A 86 10.235 -7.797 1.179 1.00 0.00 H new ATOM 0 HA LEU A 86 8.604 -9.353 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.117 -9.980 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.414 -11.099 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 86 11.292 -8.296 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.303 -9.357 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.209 -9.577 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.790 -10.921 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.238 -9.195 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.659 -10.756 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.645 -9.302 -2.248 1.00 0.00 H new ATOM 1382 N LYS A 87 8.482 -10.165 2.712 1.00 0.00 N ATOM 1383 CA LYS A 87 7.774 -10.984 3.693 1.00 0.00 C ATOM 1384 C LYS A 87 6.284 -10.667 3.698 1.00 0.00 C ATOM 1385 O LYS A 87 5.496 -11.350 4.347 1.00 0.00 O ATOM 1386 CB LYS A 87 8.352 -10.775 5.092 1.00 0.00 C ATOM 1387 CG LYS A 87 9.742 -11.360 5.270 1.00 0.00 C ATOM 1388 CD LYS A 87 10.252 -11.163 6.685 1.00 0.00 C ATOM 1389 CE LYS A 87 11.608 -11.816 6.880 1.00 0.00 C ATOM 1390 NZ LYS A 87 12.000 -11.855 8.313 1.00 0.00 N ATOM 0 H LYS A 87 9.065 -9.432 3.117 1.00 0.00 H new ATOM 0 HA LYS A 87 7.907 -12.028 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.387 -9.707 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.681 -11.225 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.723 -12.424 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.429 -10.890 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.325 -10.097 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.538 -11.584 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.584 -12.830 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.360 -11.269 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.932 -12.308 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.048 -10.886 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.295 -12.399 8.851 1.00 0.00 H new ATOM 1404 N CYS A 88 5.912 -9.624 2.980 1.00 0.00 N ATOM 1405 CA CYS A 88 4.515 -9.235 2.851 1.00 0.00 C ATOM 1406 C CYS A 88 4.033 -9.434 1.418 1.00 0.00 C ATOM 1407 O CYS A 88 2.845 -9.284 1.120 1.00 0.00 O ATOM 1408 CB CYS A 88 4.334 -7.785 3.289 1.00 0.00 C ATOM 1409 SG CYS A 88 4.246 -7.577 5.098 1.00 0.00 S ATOM 0 H CYS A 88 6.562 -9.024 2.472 1.00 0.00 H new ATOM 0 HA CYS A 88 3.912 -9.870 3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.162 -7.191 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.422 -7.390 2.841 1.00 0.00 H new ATOM 1414 N VAL A 89 4.966 -9.767 0.530 1.00 0.00 N ATOM 1415 CA VAL A 89 4.638 -10.041 -0.854 1.00 0.00 C ATOM 1416 C VAL A 89 4.090 -11.451 -1.007 1.00 0.00 C ATOM 1417 O VAL A 89 4.665 -12.414 -0.500 1.00 0.00 O ATOM 1418 CB VAL A 89 5.865 -9.871 -1.775 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.516 -10.264 -3.198 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.382 -8.443 -1.735 1.00 0.00 C ATOM 0 H VAL A 89 5.958 -9.852 0.752 1.00 0.00 H new ATOM 0 HA VAL A 89 3.878 -9.319 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 89 6.654 -10.529 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.391 -10.139 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.197 -11.306 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.708 -9.630 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.246 -8.350 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.598 -7.763 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.673 -8.190 -0.715 1.00 0.00 H new ATOM 1430 N ASP A 90 2.966 -11.552 -1.688 1.00 0.00 N ATOM 1431 CA ASP A 90 2.358 -12.838 -1.995 1.00 0.00 C ATOM 1432 C ASP A 90 1.975 -12.897 -3.461 1.00 0.00 C ATOM 1433 O ASP A 90 2.004 -11.885 -4.163 1.00 0.00 O ATOM 1434 CB ASP A 90 1.115 -13.083 -1.138 1.00 0.00 C ATOM 1435 CG ASP A 90 1.450 -13.450 0.290 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.812 -14.621 0.535 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.348 -12.572 1.172 1.00 0.00 O ATOM 0 H ASP A 90 2.447 -10.750 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 90 3.091 -13.613 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.494 -12.187 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.523 -13.882 -1.584 1.00 0.00 H new ATOM 1442 N LYS A 91 1.624 -14.086 -3.913 1.00 0.00 N ATOM 1443 CA LYS A 91 1.176 -14.294 -5.280 1.00 0.00 C ATOM 1444 C LYS A 91 -0.338 -14.180 -5.337 1.00 0.00 C ATOM 1445 O LYS A 91 -1.013 -14.243 -4.306 1.00 0.00 O ATOM 1446 CB LYS A 91 1.627 -15.668 -5.774 1.00 0.00 C ATOM 1447 CG LYS A 91 3.051 -16.002 -5.379 1.00 0.00 C ATOM 1448 CD LYS A 91 3.503 -17.325 -5.967 1.00 0.00 C ATOM 1449 CE LYS A 91 4.926 -17.652 -5.549 1.00 0.00 C ATOM 1450 NZ LYS A 91 5.376 -18.963 -6.082 1.00 0.00 N ATOM 0 H LYS A 91 1.641 -14.934 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 91 1.615 -13.534 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.957 -16.429 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.539 -15.704 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.717 -15.208 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.127 -16.042 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.833 -18.120 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.441 -17.283 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.596 -16.868 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.991 -17.662 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.352 -19.147 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.752 -19.715 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.339 -18.946 -7.121 1.00 0.00 H new ATOM 1464 N ASN A 92 -0.870 -14.006 -6.536 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.301 -13.793 -6.713 1.00 0.00 C ATOM 1466 C ASN A 92 -3.068 -15.106 -6.651 1.00 0.00 C ATOM 1467 O ASN A 92 -3.712 -15.518 -7.614 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.587 -13.086 -8.034 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.033 -12.630 -8.147 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.701 -12.381 -7.141 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.521 -12.515 -9.370 1.00 0.00 N ATOM 0 H ASN A 92 -0.333 -14.008 -7.403 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.639 -13.158 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.928 -12.223 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.355 -13.758 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.485 -12.210 -9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.934 -12.731 -10.176 1.00 0.00 H new ATOM 1478 N THR A 93 -2.989 -15.762 -5.508 1.00 0.00 N ATOM 1479 CA THR A 93 -3.794 -16.938 -5.251 1.00 0.00 C ATOM 1480 C THR A 93 -5.131 -16.508 -4.663 1.00 0.00 C ATOM 1481 O THR A 93 -6.028 -17.316 -4.445 1.00 0.00 O ATOM 1482 CB THR A 93 -3.085 -17.904 -4.286 1.00 0.00 C ATOM 1483 OG1 THR A 93 -2.846 -17.257 -3.032 1.00 0.00 O ATOM 1484 CG2 THR A 93 -1.764 -18.375 -4.870 1.00 0.00 C ATOM 0 H THR A 93 -2.372 -15.497 -4.740 1.00 0.00 H new ATOM 0 HA THR A 93 -3.950 -17.464 -6.193 1.00 0.00 H new ATOM 0 HB THR A 93 -3.731 -18.768 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.396 -17.879 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.280 -19.057 -4.171 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.946 -18.891 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.117 -17.516 -5.046 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.238 -15.208 -4.413 1.00 0.00 N ATOM 1493 CA ASP A 94 -6.461 -14.609 -3.900 1.00 0.00 C ATOM 1494 C ASP A 94 -7.430 -14.359 -5.050 1.00 0.00 C ATOM 1495 O ASP A 94 -8.641 -14.263 -4.860 1.00 0.00 O ATOM 1496 CB ASP A 94 -6.138 -13.298 -3.178 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.341 -12.695 -2.485 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.057 -11.895 -3.111 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.561 -13.004 -1.295 1.00 0.00 O ATOM 0 H ASP A 94 -4.480 -14.542 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.927 -15.291 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.354 -13.478 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.742 -12.581 -3.897 1.00 0.00 H new ATOM 1504 N ASN A 95 -6.857 -14.264 -6.251 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.610 -14.145 -7.500 1.00 0.00 C ATOM 1506 C ASN A 95 -8.384 -12.830 -7.584 1.00 0.00 C ATOM 1507 O ASN A 95 -9.320 -12.702 -8.375 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.570 -15.331 -7.674 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.866 -16.681 -7.688 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.422 -17.683 -7.239 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -6.645 -16.727 -8.205 1.00 0.00 N ATOM 0 H ASN A 95 -5.846 -14.268 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.881 -14.153 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.301 -15.319 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.123 -15.208 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.138 -17.612 -8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.213 -15.878 -8.569 1.00 0.00 H new ATOM 1518 N ASN A 96 -7.978 -11.850 -6.790 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.618 -10.541 -6.796 1.00 0.00 C ATOM 1520 C ASN A 96 -7.595 -9.458 -6.483 1.00 0.00 C ATOM 1521 O ASN A 96 -6.955 -9.479 -5.431 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.768 -10.503 -5.784 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.348 -9.111 -5.614 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.922 -8.345 -4.749 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.325 -8.769 -6.440 1.00 0.00 N ATOM 0 H ASN A 96 -7.205 -11.937 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.029 -10.356 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.555 -11.184 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.411 -10.864 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.750 -7.844 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.652 -9.430 -7.144 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.452 -8.513 -7.401 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.420 -7.489 -7.304 1.00 0.00 C ATOM 1534 C ALA A 97 -6.657 -6.538 -6.132 1.00 0.00 C ATOM 1535 O ALA A 97 -5.701 -6.038 -5.537 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.324 -6.716 -8.608 1.00 0.00 C ATOM 0 H ALA A 97 -8.043 -8.434 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.473 -7.996 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.549 -5.954 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.073 -7.400 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.281 -6.239 -8.819 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.920 -6.276 -5.801 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.234 -5.385 -4.682 1.00 0.00 C ATOM 1544 C CYS A 98 -7.703 -5.952 -3.371 1.00 0.00 C ATOM 1545 O CYS A 98 -7.077 -5.238 -2.590 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.740 -5.131 -4.553 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.505 -4.342 -6.007 1.00 0.00 S ATOM 0 H CYS A 98 -8.733 -6.661 -6.282 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.744 -4.434 -4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.241 -6.081 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.915 -4.502 -3.680 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.926 -7.239 -3.137 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.517 -7.845 -1.879 1.00 0.00 C ATOM 1554 C HIS A 99 -6.033 -8.185 -1.914 1.00 0.00 C ATOM 1555 O HIS A 99 -5.376 -8.241 -0.877 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.342 -9.098 -1.580 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.196 -9.580 -0.165 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.892 -10.882 0.160 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.317 -8.922 1.012 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.831 -11.004 1.472 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.086 -9.829 2.014 1.00 0.00 N ATOM 0 H HIS A 99 -8.381 -7.875 -3.792 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.695 -7.124 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.393 -8.889 -1.779 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.041 -9.894 -2.261 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.738 -11.636 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.552 -7.876 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.610 -11.913 2.012 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.516 -8.405 -3.114 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.099 -8.704 -3.305 1.00 0.00 C ATOM 1572 C TRP A 100 -3.250 -7.515 -2.860 1.00 0.00 C ATOM 1573 O TRP A 100 -2.346 -7.655 -2.034 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.827 -9.043 -4.780 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.452 -9.580 -5.049 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.531 -9.992 -4.130 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.853 -9.787 -6.337 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.395 -10.428 -4.765 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.567 -10.316 -6.117 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.275 -9.574 -7.652 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.296 -10.636 -7.161 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.419 -9.893 -8.688 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.146 -10.419 -8.440 1.00 0.00 C ATOM 0 H TRP A 100 -6.059 -8.382 -3.977 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.830 -9.568 -2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.562 -9.776 -5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.977 -8.146 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.675 -9.977 -3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.443 -10.779 -4.302 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.254 -9.167 -7.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.279 -11.041 -6.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.738 -9.734 -9.708 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.500 -10.658 -9.272 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.571 -6.341 -3.396 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.872 -5.114 -3.040 1.00 0.00 C ATOM 1596 C ALA A 101 -3.102 -4.763 -1.578 1.00 0.00 C ATOM 1597 O ALA A 101 -2.184 -4.349 -0.869 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.337 -3.973 -3.931 1.00 0.00 C ATOM 0 H ALA A 101 -4.315 -6.215 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.804 -5.272 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.809 -3.059 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.127 -4.216 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.409 -3.825 -3.802 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.334 -4.952 -1.133 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.720 -4.611 0.223 1.00 0.00 C ATOM 1606 C PHE A 102 -3.996 -5.487 1.239 1.00 0.00 C ATOM 1607 O PHE A 102 -3.674 -5.038 2.337 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.232 -4.743 0.391 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.727 -4.338 1.755 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.765 -3.001 2.116 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.156 -5.289 2.671 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.221 -2.618 3.363 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.612 -4.910 3.919 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.645 -3.573 4.266 1.00 0.00 C ATOM 0 H PHE A 102 -5.088 -5.343 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.432 -3.576 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.727 -4.130 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.521 -5.777 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.434 -2.249 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.133 -6.336 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.246 -1.572 3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.943 -5.659 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.002 -3.275 5.241 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.727 -6.733 0.863 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.086 -7.674 1.766 1.00 0.00 C ATOM 1626 C ARG A 103 -1.617 -7.312 1.944 1.00 0.00 C ATOM 1627 O ARG A 103 -1.070 -7.426 3.041 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.229 -9.105 1.254 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.831 -10.144 2.284 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.145 -11.553 1.818 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.497 -11.875 0.552 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.871 -12.890 -0.221 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.887 -13.659 0.148 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.229 -13.139 -1.356 1.00 0.00 N ATOM 0 H ARG A 103 -3.943 -7.111 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.582 -7.614 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.263 -9.276 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.613 -9.230 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.764 -10.060 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.354 -9.946 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.825 -12.265 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.224 -11.666 1.710 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.718 -11.293 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.378 -13.471 1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.177 -14.439 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.445 -12.550 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.520 -13.919 -1.946 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.993 -6.852 0.863 1.00 0.00 N ATOM 1649 CA GLY A 104 0.385 -6.404 0.937 1.00 0.00 C ATOM 1650 C GLY A 104 0.525 -5.194 1.840 1.00 0.00 C ATOM 1651 O GLY A 104 1.423 -5.131 2.683 1.00 0.00 O ATOM 0 H GLY A 104 -1.417 -6.782 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.013 -7.213 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.743 -6.158 -0.062 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.388 -4.244 1.676 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.389 -3.028 2.473 1.00 0.00 C ATOM 1657 C PHE A 105 -0.670 -3.344 3.940 1.00 0.00 C ATOM 1658 O PHE A 105 0.046 -2.890 4.830 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.426 -2.045 1.915 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.693 -0.849 2.791 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.992 -0.443 3.062 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.643 -0.130 3.342 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.237 0.656 3.863 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.884 0.969 4.144 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.181 1.362 4.405 1.00 0.00 C ATOM 0 H PHE A 105 -1.142 -4.296 0.991 1.00 0.00 H new ATOM 0 HA PHE A 105 0.597 -2.566 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.088 -1.696 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.363 -2.578 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.821 -0.993 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.374 -0.432 3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.253 0.962 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.057 1.521 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.370 2.221 5.032 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.696 -4.153 4.175 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.122 -4.501 5.529 1.00 0.00 C ATOM 1677 C LYS A 106 -1.020 -5.245 6.282 1.00 0.00 C ATOM 1678 O LYS A 106 -0.769 -4.975 7.454 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.417 -5.331 5.484 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.652 -6.193 6.712 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.872 -7.088 6.538 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.136 -7.933 7.777 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.254 -8.890 7.567 1.00 0.00 N ATOM 0 H LYS A 106 -2.254 -4.585 3.439 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.323 -3.577 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.263 -4.655 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.392 -5.973 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.772 -6.808 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.788 -5.555 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.746 -6.473 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.724 -7.741 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.232 -8.483 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.370 -7.281 8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.537 -9.299 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.063 -8.391 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.945 -9.650 6.928 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.363 -6.176 5.597 1.00 0.00 N ATOM 1698 CA CYS A 107 0.713 -6.958 6.196 1.00 0.00 C ATOM 1699 C CYS A 107 1.859 -6.059 6.648 1.00 0.00 C ATOM 1700 O CYS A 107 2.367 -6.192 7.762 1.00 0.00 O ATOM 1701 CB CYS A 107 1.219 -8.006 5.194 1.00 0.00 C ATOM 1702 SG CYS A 107 2.768 -8.846 5.683 1.00 0.00 S ATOM 0 H CYS A 107 -0.558 -6.408 4.623 1.00 0.00 H new ATOM 0 HA CYS A 107 0.319 -7.467 7.076 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.443 -8.758 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.373 -7.522 4.230 1.00 0.00 H new ATOM 1707 N PHE A 108 2.243 -5.128 5.785 1.00 0.00 N ATOM 1708 CA PHE A 108 3.403 -4.290 6.034 1.00 0.00 C ATOM 1709 C PHE A 108 3.110 -3.262 7.124 1.00 0.00 C ATOM 1710 O PHE A 108 3.867 -3.138 8.085 1.00 0.00 O ATOM 1711 CB PHE A 108 3.826 -3.601 4.738 1.00 0.00 C ATOM 1712 CG PHE A 108 5.202 -2.999 4.788 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.310 -3.758 4.443 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.392 -1.681 5.172 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.577 -3.215 4.479 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.660 -1.134 5.210 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.753 -1.901 4.864 1.00 0.00 C ATOM 0 H PHE A 108 1.765 -4.936 4.905 1.00 0.00 H new ATOM 0 HA PHE A 108 4.222 -4.918 6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.786 -4.325 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.106 -2.817 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.179 -4.787 4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.540 -1.075 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.431 -3.817 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.796 -0.106 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.745 -1.474 4.894 1.00 0.00 H new ATOM 1727 N GLN A 109 1.989 -2.554 6.993 1.00 0.00 N ATOM 1728 CA GLN A 109 1.628 -1.499 7.939 1.00 0.00 C ATOM 1729 C GLN A 109 1.398 -2.060 9.338 1.00 0.00 C ATOM 1730 O GLN A 109 1.519 -1.345 10.330 1.00 0.00 O ATOM 1731 CB GLN A 109 0.381 -0.743 7.460 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.904 -1.561 7.454 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.802 -1.279 8.649 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.340 -0.923 9.732 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.099 -1.440 8.457 1.00 0.00 N ATOM 0 H GLN A 109 1.315 -2.692 6.240 1.00 0.00 H new ATOM 0 HA GLN A 109 2.465 -0.802 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.236 0.129 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.564 -0.373 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.455 -1.352 6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.652 -2.621 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.447 -1.736 7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.753 -1.268 9.221 1.00 0.00 H new ATOM 1744 N LYS A 110 1.091 -3.349 9.410 1.00 0.00 N ATOM 1745 CA LYS A 110 0.755 -3.993 10.668 1.00 0.00 C ATOM 1746 C LYS A 110 1.959 -4.023 11.607 1.00 0.00 C ATOM 1747 O LYS A 110 1.806 -4.119 12.825 1.00 0.00 O ATOM 1748 CB LYS A 110 0.248 -5.408 10.390 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.339 -6.109 11.599 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.056 -7.388 11.204 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.688 -8.068 12.407 1.00 0.00 C ATOM 1752 NZ LYS A 110 -0.670 -8.618 13.341 1.00 0.00 N ATOM 0 H LYS A 110 1.069 -3.972 8.602 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.030 -3.420 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.509 -5.363 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.072 -6.007 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.455 -6.340 12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.036 -5.441 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.826 -7.161 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.351 -8.070 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.317 -7.353 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.339 -8.873 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.144 -9.159 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.022 -9.243 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.130 -7.837 13.766 1.00 0.00 H new ATOM 1766 N ASN A 111 3.156 -3.928 11.043 1.00 0.00 N ATOM 1767 CA ASN A 111 4.367 -3.922 11.852 1.00 0.00 C ATOM 1768 C ASN A 111 5.272 -2.742 11.488 1.00 0.00 C ATOM 1769 O ASN A 111 6.130 -2.346 12.275 1.00 0.00 O ATOM 1770 CB ASN A 111 5.110 -5.265 11.712 1.00 0.00 C ATOM 1771 CG ASN A 111 6.409 -5.175 10.924 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.475 -4.929 11.489 1.00 0.00 O ATOM 1773 ND2 ASN A 111 6.328 -5.401 9.622 1.00 0.00 N ATOM 0 H ASN A 111 3.314 -3.855 10.038 1.00 0.00 H new ATOM 0 HA ASN A 111 4.081 -3.798 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.327 -5.654 12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.451 -5.984 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.170 -5.375 9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.424 -5.601 9.194 1.00 0.00 H new ATOM 1780 N ASN A 112 5.061 -2.158 10.314 1.00 0.00 N ATOM 1781 CA ASN A 112 5.898 -1.054 9.850 1.00 0.00 C ATOM 1782 C ASN A 112 5.051 0.070 9.259 1.00 0.00 C ATOM 1783 O ASN A 112 5.157 0.383 8.074 1.00 0.00 O ATOM 1784 CB ASN A 112 6.899 -1.542 8.801 1.00 0.00 C ATOM 1785 CG ASN A 112 8.041 -2.349 9.390 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.529 -2.058 10.484 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.460 -3.385 8.679 1.00 0.00 N ATOM 0 H ASN A 112 4.320 -2.428 9.667 1.00 0.00 H new ATOM 0 HA ASN A 112 6.439 -0.667 10.713 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.375 -2.151 8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.307 -0.682 8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.213 -3.975 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.030 -3.592 7.778 1.00 0.00 H new ATOM 1794 N LEU A 113 4.210 0.682 10.082 1.00 0.00 N ATOM 1795 CA LEU A 113 3.354 1.767 9.613 1.00 0.00 C ATOM 1796 C LEU A 113 4.077 3.109 9.675 1.00 0.00 C ATOM 1797 O LEU A 113 3.853 3.986 8.838 1.00 0.00 O ATOM 1798 CB LEU A 113 2.061 1.835 10.425 1.00 0.00 C ATOM 1799 CG LEU A 113 1.171 3.040 10.130 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.633 2.967 8.711 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.035 3.108 11.135 1.00 0.00 C ATOM 0 H LEU A 113 4.101 0.450 11.069 1.00 0.00 H new ATOM 0 HA LEU A 113 3.104 1.557 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.487 0.926 10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.316 1.843 11.485 1.00 0.00 H new ATOM 0 HG LEU A 113 1.766 3.949 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.001 3.833 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.465 2.960 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.047 2.056 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.594 3.971 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.562 2.198 11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.444 3.204 12.141 1.00 0.00 H new ATOM 1813 N SER A 114 4.953 3.262 10.657 1.00 0.00 N ATOM 1814 CA SER A 114 5.673 4.516 10.845 1.00 0.00 C ATOM 1815 C SER A 114 6.584 4.784 9.651 1.00 0.00 C ATOM 1816 O SER A 114 6.802 5.936 9.266 1.00 0.00 O ATOM 1817 CB SER A 114 6.485 4.468 12.143 1.00 0.00 C ATOM 1818 OG SER A 114 6.929 5.760 12.526 1.00 0.00 O ATOM 0 H SER A 114 5.183 2.536 11.335 1.00 0.00 H new ATOM 0 HA SER A 114 4.952 5.330 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.876 4.041 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.345 3.811 12.012 1.00 0.00 H new ATOM 0 HG SER A 114 7.443 5.696 13.358 1.00 0.00 H new ATOM 1824 N LEU A 115 7.094 3.710 9.056 1.00 0.00 N ATOM 1825 CA LEU A 115 7.928 3.809 7.870 1.00 0.00 C ATOM 1826 C LEU A 115 7.109 4.295 6.683 1.00 0.00 C ATOM 1827 O LEU A 115 7.596 5.052 5.849 1.00 0.00 O ATOM 1828 CB LEU A 115 8.546 2.453 7.545 1.00 0.00 C ATOM 1829 CG LEU A 115 9.515 2.455 6.367 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.700 3.352 6.671 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.968 1.040 6.043 1.00 0.00 C ATOM 0 H LEU A 115 6.941 2.756 9.381 1.00 0.00 H new ATOM 0 HA LEU A 115 8.724 4.527 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.071 2.088 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.744 1.745 7.336 1.00 0.00 H new ATOM 0 HG LEU A 115 9.002 2.848 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.387 3.347 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.350 4.369 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.216 2.985 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.659 1.063 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.469 0.611 6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.102 0.431 5.786 1.00 0.00 H new ATOM 1843 N ILE A 116 5.857 3.859 6.623 1.00 0.00 N ATOM 1844 CA ILE A 116 4.955 4.254 5.553 1.00 0.00 C ATOM 1845 C ILE A 116 4.700 5.756 5.612 1.00 0.00 C ATOM 1846 O ILE A 116 4.687 6.442 4.590 1.00 0.00 O ATOM 1847 CB ILE A 116 3.616 3.486 5.643 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.856 1.985 5.449 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.622 4.009 4.616 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.596 1.155 5.521 1.00 0.00 C ATOM 0 H ILE A 116 5.443 3.228 7.309 1.00 0.00 H new ATOM 0 HA ILE A 116 5.427 4.006 4.602 1.00 0.00 H new ATOM 0 HB ILE A 116 3.190 3.646 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.332 1.824 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.554 1.636 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.688 3.454 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.433 5.067 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.033 3.882 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.844 0.104 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.130 1.285 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.904 1.476 4.743 1.00 0.00 H new ATOM 1862 N LYS A 117 4.532 6.258 6.827 1.00 0.00 N ATOM 1863 CA LYS A 117 4.326 7.681 7.051 1.00 0.00 C ATOM 1864 C LYS A 117 5.565 8.479 6.645 1.00 0.00 C ATOM 1865 O LYS A 117 5.464 9.482 5.945 1.00 0.00 O ATOM 1866 CB LYS A 117 3.990 7.944 8.522 1.00 0.00 C ATOM 1867 CG LYS A 117 2.619 7.421 8.936 1.00 0.00 C ATOM 1868 CD LYS A 117 2.322 7.704 10.404 1.00 0.00 C ATOM 1869 CE LYS A 117 0.939 7.210 10.806 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.668 7.437 12.249 1.00 0.00 N ATOM 0 H LYS A 117 4.535 5.696 7.678 1.00 0.00 H new ATOM 0 HA LYS A 117 3.489 8.006 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.751 7.480 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.033 9.017 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.852 7.883 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.571 6.347 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.075 7.222 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.393 8.776 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.183 7.721 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.854 6.146 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.283 7.087 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.374 6.928 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.723 8.455 12.457 1.00 0.00 H new ATOM 1884 N ALA A 118 6.734 8.007 7.069 1.00 0.00 N ATOM 1885 CA ALA A 118 7.992 8.693 6.786 1.00 0.00 C ATOM 1886 C ALA A 118 8.417 8.522 5.328 1.00 0.00 C ATOM 1887 O ALA A 118 9.267 9.263 4.826 1.00 0.00 O ATOM 1888 CB ALA A 118 9.073 8.178 7.714 1.00 0.00 C ATOM 0 H ALA A 118 6.837 7.149 7.612 1.00 0.00 H new ATOM 0 HA ALA A 118 7.841 9.759 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.011 8.691 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.784 8.365 8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.203 7.107 7.562 1.00 0.00 H new ATOM 1894 N SER A 119 7.839 7.535 4.659 1.00 0.00 N ATOM 1895 CA SER A 119 8.120 7.289 3.255 1.00 0.00 C ATOM 1896 C SER A 119 7.547 8.406 2.387 1.00 0.00 C ATOM 1897 O SER A 119 8.182 8.855 1.432 1.00 0.00 O ATOM 1898 CB SER A 119 7.536 5.936 2.835 1.00 0.00 C ATOM 1899 OG SER A 119 7.783 5.665 1.469 1.00 0.00 O ATOM 0 H SER A 119 7.167 6.888 5.071 1.00 0.00 H new ATOM 0 HA SER A 119 9.201 7.268 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.970 5.146 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.462 5.929 3.020 1.00 0.00 H new ATOM 0 HG SER A 119 8.742 5.753 1.286 1.00 0.00 H new ATOM 1905 N ILE A 120 6.347 8.857 2.731 1.00 0.00 N ATOM 1906 CA ILE A 120 5.678 9.896 1.963 1.00 0.00 C ATOM 1907 C ILE A 120 5.923 11.271 2.565 1.00 0.00 C ATOM 1908 O ILE A 120 5.544 12.291 1.988 1.00 0.00 O ATOM 1909 CB ILE A 120 4.157 9.657 1.882 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.555 9.564 3.282 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.864 8.397 1.088 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.046 9.613 3.294 1.00 0.00 C ATOM 0 H ILE A 120 5.819 8.519 3.536 1.00 0.00 H new ATOM 0 HA ILE A 120 6.100 9.856 0.959 1.00 0.00 H new ATOM 0 HB ILE A 120 3.698 10.502 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.884 8.636 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.942 10.382 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.786 8.240 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.262 8.502 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.333 7.542 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.688 9.542 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.709 10.553 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.650 8.780 2.713 1.00 0.00 H new ATOM 1924 N LYS A 121 6.542 11.303 3.730 1.00 0.00 N ATOM 1925 CA LYS A 121 6.778 12.557 4.406 1.00 0.00 C ATOM 1926 C LYS A 121 8.123 13.132 3.993 1.00 0.00 C ATOM 1927 O LYS A 121 9.165 12.519 4.240 1.00 0.00 O ATOM 1928 CB LYS A 121 6.728 12.360 5.916 1.00 0.00 C ATOM 1929 CG LYS A 121 6.527 13.658 6.679 1.00 0.00 C ATOM 1930 CD LYS A 121 5.158 14.257 6.395 1.00 0.00 C ATOM 1931 CE LYS A 121 4.984 15.601 7.078 1.00 0.00 C ATOM 1932 NZ LYS A 121 6.012 16.586 6.647 1.00 0.00 N ATOM 0 H LYS A 121 6.887 10.479 4.222 1.00 0.00 H new ATOM 0 HA LYS A 121 5.996 13.261 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.918 11.673 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.655 11.891 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.632 13.474 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.303 14.371 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.028 14.375 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.382 13.572 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.991 15.994 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.041 15.468 8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.701 17.546 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.913 16.378 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.142 16.524 5.617 1.00 0.00 H new ATOM 1946 N LYS A 122 8.077 14.316 3.376 1.00 0.00 N ATOM 1947 CA LYS A 122 9.267 15.032 2.920 1.00 0.00 C ATOM 1948 C LYS A 122 9.910 14.349 1.710 1.00 0.00 C ATOM 1949 O LYS A 122 10.006 13.125 1.644 1.00 0.00 O ATOM 1950 CB LYS A 122 10.277 15.172 4.060 1.00 0.00 C ATOM 1951 CG LYS A 122 10.566 16.604 4.482 1.00 0.00 C ATOM 1952 CD LYS A 122 11.013 17.460 3.309 1.00 0.00 C ATOM 1953 CE LYS A 122 11.576 18.793 3.773 1.00 0.00 C ATOM 1954 NZ LYS A 122 12.817 18.622 4.574 1.00 0.00 N ATOM 0 H LYS A 122 7.205 14.807 3.178 1.00 0.00 H new ATOM 0 HA LYS A 122 8.953 16.027 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.907 14.621 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 122 11.212 14.701 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.672 17.039 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 122 11.340 16.607 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.769 16.925 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.169 17.633 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 122 11.787 19.420 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 122 10.828 19.315 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.349 19.516 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.568 18.356 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.404 17.875 4.150 1.00 0.00 H new ATOM 1968 N ASP A 123 10.322 15.152 0.742 1.00 0.00 N ATOM 1969 CA ASP A 123 11.042 14.641 -0.419 1.00 0.00 C ATOM 1970 C ASP A 123 12.453 14.235 -0.015 1.00 0.00 C ATOM 1971 O ASP A 123 13.192 15.098 0.505 1.00 0.00 O ATOM 1972 CB ASP A 123 11.095 15.686 -1.533 1.00 0.00 C ATOM 1973 CG ASP A 123 11.868 15.212 -2.751 1.00 0.00 C ATOM 1974 OD1 ASP A 123 11.266 14.567 -3.636 1.00 0.00 O ATOM 1975 OD2 ASP A 123 13.080 15.500 -2.845 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.817 13.057 -0.205 1.00 0.00 O ATOM 0 H ASP A 123 10.171 16.161 0.735 1.00 0.00 H new ATOM 0 HA ASP A 123 10.510 13.768 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.079 15.944 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.555 16.596 -1.149 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.488 6.959 2.264 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.850 5.644 1.889 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.782 5.875 0.826 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.103 4.565 0.431 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.462 3.947 1.643 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.213 4.220 1.920 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.528 5.234 1.089 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.777 5.678 1.801 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.940 5.173 1.470 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.039 4.195 0.333 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.439 3.636 0.262 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.627 2.352 0.114 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.458 1.436 -0.097 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.972 0.951 1.244 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.927 -0.330 1.499 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.467 -1.313 0.496 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.628 -2.683 1.145 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.874 -3.760 0.096 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.087 -5.119 0.760 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.204 -6.226 -0.280 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.710 7.087 2.104 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.770 7.870 2.723 1.00 0.00 O HETATM 0 H203 ACD A 201 3.290 -6.267 -0.872 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.051 -6.022 -0.935 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.355 -7.182 0.222 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.990 -5.092 1.370 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.256 -5.333 1.432 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.025 -3.812 -0.586 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.748 -3.500 -0.502 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.460 -2.660 1.849 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.732 -2.926 1.717 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.792 -1.382 -0.357 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.428 -0.966 0.115 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.658 1.959 -0.621 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.749 0.591 -0.721 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.321 3.387 0.473 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.786 4.687 -0.606 1.00 0.00 H new HETATM 0 HO2 ACD A 201 -4.080 8.110 3.621 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.836 5.462 2.019 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.714 6.422 2.595 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.786 4.803 0.122 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.113 6.094 0.894 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.288 3.717 2.747 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.033 3.277 2.285 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.834 3.879 0.003 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.352 4.750 -0.337 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.234 6.333 -0.054 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.036 6.575 1.202 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.406 5.180 2.770 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.607 4.955 1.514 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.499 -0.686 2.436 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.658 1.669 2.002 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.637 1.944 0.144 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.296 4.306 0.334 1.00 0.00 H new