USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot 180:sc= 0.00594 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.255 USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.628 K(o=0.24,f=-3.2!) USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.393 K(o=0.24,f=-0.7) USER MOD Set 3.1: A 21 THR OG1 : rot -150:sc= -0.0057 USER MOD Set 3.2: A 33 THR OG1 : rot -130:sc= 0.252 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 178:sc= 1.13 USER MOD Single : A 8 THR OG1 : rot -145:sc= 1.83 USER MOD Single : A 13 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= 1.1 (180deg=-1.06!) USER MOD Single : A 15 HIS : no HE2:sc= -0.945 K(o=-0.95,f=-3.5) USER MOD Single : A 16 ASN : amide:sc= 0.222 X(o=0.22,f=-0.17) USER MOD Single : A 20 SER OG : rot 3:sc= 0.852 USER MOD Single : A 26 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.098) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= 0.936 (180deg=-0.183) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.55) USER MOD Single : A 55 THR OG1 : rot 24:sc= 0.897 USER MOD Single : A 57 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 71 SER OG : rot 65:sc= 0.906 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.706 USER MOD Single : A 80 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.204 -7.694 -14.476 1.00 10.00 N ATOM 30 CA LYS A 5 -1.953 -8.714 -13.761 1.00 10.00 C ATOM 31 C LYS A 5 -2.734 -7.998 -12.659 1.00 10.00 C ATOM 32 O LYS A 5 -2.172 -7.162 -11.953 1.00 10.00 O ATOM 33 CB LYS A 5 -1.003 -9.771 -13.174 1.00 10.00 C ATOM 34 CG LYS A 5 -1.808 -10.929 -12.564 1.00 10.00 C ATOM 35 CD LYS A 5 -0.963 -11.830 -11.656 1.00 10.00 C ATOM 36 CE LYS A 5 -1.904 -12.701 -10.807 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.178 -13.541 -9.832 1.00 10.00 N ATOM 0 HA LYS A 5 -2.634 -9.242 -14.429 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.342 -10.149 -13.954 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.370 -9.318 -12.411 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.641 -10.523 -11.991 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.236 -11.530 -13.367 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.305 -12.459 -12.256 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.325 -11.225 -11.012 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.606 -12.059 -10.275 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.492 -13.341 -11.465 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.859 -14.107 -9.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.527 -14.175 -10.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -0.637 -12.933 -9.185 1.00 10.00 H new ATOM 51 N TYR A 6 -4.017 -8.327 -12.511 1.00 10.00 N ATOM 52 CA TYR A 6 -4.841 -7.844 -11.419 1.00 10.00 C ATOM 53 C TYR A 6 -4.774 -8.828 -10.246 1.00 10.00 C ATOM 54 O TYR A 6 -4.414 -9.989 -10.441 1.00 10.00 O ATOM 55 CB TYR A 6 -6.280 -7.670 -11.902 1.00 10.00 C ATOM 56 CG TYR A 6 -6.470 -6.793 -13.125 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.311 -7.332 -14.416 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.860 -5.451 -12.976 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.480 -6.515 -15.547 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.020 -4.631 -14.106 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.818 -5.160 -15.391 1.00 10.00 C ATOM 62 OH TYR A 6 -6.994 -4.368 -16.485 1.00 10.00 O ATOM 0 H TYR A 6 -4.512 -8.943 -13.156 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.470 -6.877 -11.078 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.691 -8.656 -12.119 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.868 -7.252 -11.085 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.059 -8.375 -14.537 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.037 -5.049 -11.990 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.350 -6.929 -16.536 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.298 -3.594 -13.986 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.225 -3.460 -16.198 1.00 10.00 H new ATOM 72 N TYR A 7 -5.124 -8.381 -9.037 1.00 10.00 N ATOM 73 CA TYR A 7 -5.090 -9.198 -7.830 1.00 10.00 C ATOM 74 C TYR A 7 -6.430 -9.073 -7.107 1.00 10.00 C ATOM 75 O TYR A 7 -7.027 -7.996 -7.091 1.00 10.00 O ATOM 76 CB TYR A 7 -3.930 -8.752 -6.936 1.00 10.00 C ATOM 77 CG TYR A 7 -2.613 -8.563 -7.663 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.783 -9.663 -7.946 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.250 -7.282 -8.111 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.588 -9.475 -8.665 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.063 -7.099 -8.833 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.242 -8.196 -9.134 1.00 10.00 C ATOM 83 OH TYR A 7 0.881 -8.030 -9.889 1.00 10.00 O ATOM 0 H TYR A 7 -5.443 -7.427 -8.871 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.930 -10.245 -8.087 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.201 -7.814 -6.452 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.792 -9.490 -6.146 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.063 -10.651 -7.612 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.887 -6.436 -7.898 1.00 10.00 H new ATOM 0 HE1 TYR A 7 0.064 -10.314 -8.857 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.779 -6.109 -9.159 1.00 10.00 H new ATOM 0 HH TYR A 7 0.958 -7.091 -10.159 1.00 10.00 H new ATOM 93 N THR A 8 -6.929 -10.179 -6.556 1.00 10.00 N ATOM 94 CA THR A 8 -8.200 -10.213 -5.849 1.00 10.00 C ATOM 95 C THR A 8 -8.017 -9.613 -4.454 1.00 10.00 C ATOM 96 O THR A 8 -6.908 -9.622 -3.915 1.00 10.00 O ATOM 97 CB THR A 8 -8.694 -11.665 -5.742 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.844 -12.361 -4.858 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.738 -12.374 -7.100 1.00 10.00 C ATOM 0 H THR A 8 -6.455 -11.082 -6.590 1.00 10.00 H new ATOM 0 HA THR A 8 -8.941 -9.630 -6.396 1.00 10.00 H new ATOM 0 HB THR A 8 -9.717 -11.652 -5.366 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.748 -13.289 -5.159 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.094 -13.396 -6.966 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.413 -11.839 -7.768 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.738 -12.392 -7.534 1.00 10.00 H new ATOM 107 N LEU A 9 -9.107 -9.136 -3.844 1.00 10.00 N ATOM 108 CA LEU A 9 -9.083 -8.691 -2.454 1.00 10.00 C ATOM 109 C LEU A 9 -8.468 -9.785 -1.577 1.00 10.00 C ATOM 110 O LEU A 9 -7.610 -9.506 -0.748 1.00 10.00 O ATOM 111 CB LEU A 9 -10.505 -8.345 -1.980 1.00 10.00 C ATOM 112 CG LEU A 9 -10.581 -7.053 -1.144 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.999 -6.877 -0.586 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.609 -7.046 0.042 1.00 10.00 C ATOM 0 H LEU A 9 -10.017 -9.050 -4.296 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.473 -7.792 -2.373 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.154 -8.243 -2.850 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.893 -9.174 -1.388 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.308 -6.240 -1.816 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.047 -5.962 0.004 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.709 -6.815 -1.410 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.250 -7.729 0.045 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.711 -6.110 0.591 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.837 -7.881 0.704 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.587 -7.142 -0.325 1.00 10.00 H new ATOM 126 N GLU A 10 -8.894 -11.032 -1.798 1.00 10.00 N ATOM 127 CA GLU A 10 -8.384 -12.223 -1.130 1.00 10.00 C ATOM 128 C GLU A 10 -6.859 -12.292 -1.207 1.00 10.00 C ATOM 129 O GLU A 10 -6.164 -12.212 -0.194 1.00 10.00 O ATOM 130 CB GLU A 10 -9.039 -13.452 -1.771 1.00 10.00 C ATOM 131 CG GLU A 10 -8.614 -14.792 -1.157 1.00 10.00 C ATOM 132 CD GLU A 10 -8.730 -14.825 0.362 1.00 10.00 C ATOM 133 OE1 GLU A 10 -9.822 -14.479 0.858 1.00 10.00 O ATOM 134 OE2 GLU A 10 -7.715 -15.193 0.992 1.00 10.00 O ATOM 0 H GLU A 10 -9.630 -11.243 -2.472 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.636 -12.189 -0.070 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.122 -13.356 -1.688 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.800 -13.462 -2.835 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.229 -15.588 -1.578 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.583 -15.002 -1.440 1.00 10.00 H new ATOM 141 N GLU A 11 -6.332 -12.442 -2.422 1.00 10.00 N ATOM 142 CA GLU A 11 -4.901 -12.517 -2.655 1.00 10.00 C ATOM 143 C GLU A 11 -4.181 -11.356 -1.959 1.00 10.00 C ATOM 144 O GLU A 11 -3.215 -11.579 -1.232 1.00 10.00 O ATOM 145 CB GLU A 11 -4.620 -12.544 -4.163 1.00 10.00 C ATOM 146 CG GLU A 11 -4.467 -13.969 -4.720 1.00 10.00 C ATOM 147 CD GLU A 11 -5.701 -14.838 -4.524 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.671 -14.625 -5.281 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.643 -15.710 -3.627 1.00 10.00 O ATOM 0 H GLU A 11 -6.892 -12.515 -3.271 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.513 -13.440 -2.225 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.432 -12.040 -4.687 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.710 -11.980 -4.368 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.240 -13.911 -5.784 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.615 -14.449 -4.238 1.00 10.00 H new ATOM 156 N ILE A 12 -4.651 -10.121 -2.165 1.00 10.00 N ATOM 157 CA ILE A 12 -4.021 -8.953 -1.561 1.00 10.00 C ATOM 158 C ILE A 12 -4.051 -9.063 -0.028 1.00 10.00 C ATOM 159 O ILE A 12 -3.033 -8.824 0.619 1.00 10.00 O ATOM 160 CB ILE A 12 -4.655 -7.650 -2.087 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.598 -7.568 -3.627 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.918 -6.422 -1.528 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.675 -6.628 -4.173 1.00 10.00 C ATOM 0 H ILE A 12 -5.463 -9.910 -2.744 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.972 -8.920 -1.855 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.694 -7.657 -1.759 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.614 -7.217 -3.939 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.731 -8.563 -4.052 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.382 -5.513 -1.912 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.976 -6.427 -0.440 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.873 -6.454 -1.836 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.609 -6.592 -5.260 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.659 -6.994 -3.881 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.525 -5.628 -3.767 1.00 10.00 H new ATOM 175 N GLN A 13 -5.183 -9.462 0.562 1.00 10.00 N ATOM 176 CA GLN A 13 -5.356 -9.581 1.999 1.00 10.00 C ATOM 177 C GLN A 13 -4.258 -10.424 2.624 1.00 10.00 C ATOM 178 O GLN A 13 -3.687 -10.023 3.632 1.00 10.00 O ATOM 179 CB GLN A 13 -6.755 -10.116 2.330 1.00 10.00 C ATOM 180 CG GLN A 13 -7.774 -8.979 2.476 1.00 10.00 C ATOM 181 CD GLN A 13 -7.606 -8.178 3.767 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.679 -8.395 4.541 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.514 -7.241 4.024 1.00 10.00 N ATOM 0 H GLN A 13 -6.019 -9.715 0.034 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.271 -8.587 2.437 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.080 -10.798 1.544 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.716 -10.691 3.255 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.681 -8.305 1.624 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.780 -9.396 2.444 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.277 -7.076 3.367 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.447 -6.687 4.878 1.00 10.00 H new ATOM 192 N LYS A 14 -3.916 -11.565 2.024 1.00 10.00 N ATOM 193 CA LYS A 14 -2.856 -12.420 2.549 1.00 10.00 C ATOM 194 C LYS A 14 -1.545 -11.630 2.727 1.00 10.00 C ATOM 195 O LYS A 14 -0.796 -11.849 3.681 1.00 10.00 O ATOM 196 CB LYS A 14 -2.656 -13.643 1.642 1.00 10.00 C ATOM 197 CG LYS A 14 -3.953 -14.420 1.376 1.00 10.00 C ATOM 198 CD LYS A 14 -3.718 -15.549 0.360 1.00 10.00 C ATOM 199 CE LYS A 14 -5.059 -15.923 -0.288 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.911 -16.793 -1.468 1.00 10.00 N ATOM 0 H LYS A 14 -4.359 -11.916 1.175 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.157 -12.777 3.534 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.235 -13.317 0.691 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.928 -14.312 2.101 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.329 -14.838 2.310 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.718 -13.741 1.000 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.008 -15.228 -0.402 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.284 -16.417 0.855 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.684 -16.426 0.450 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.581 -15.012 -0.580 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.669 -17.505 -1.472 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.971 -16.218 -2.333 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.988 -17.271 -1.434 1.00 10.00 H new ATOM 214 N HIS A 15 -1.283 -10.668 1.839 1.00 10.00 N ATOM 215 CA HIS A 15 -0.083 -9.844 1.848 1.00 10.00 C ATOM 216 C HIS A 15 -0.279 -8.684 2.833 1.00 10.00 C ATOM 217 O HIS A 15 -0.316 -7.516 2.445 1.00 10.00 O ATOM 218 CB HIS A 15 0.255 -9.355 0.427 1.00 10.00 C ATOM 219 CG HIS A 15 0.694 -10.418 -0.554 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.758 -10.310 -1.422 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.070 -11.606 -0.830 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.782 -11.416 -2.184 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.779 -12.242 -1.854 1.00 10.00 N ATOM 0 H HIS A 15 -1.920 -10.439 1.076 1.00 10.00 H new ATOM 0 HA HIS A 15 0.770 -10.435 2.182 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.622 -8.853 0.019 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.045 -8.608 0.500 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.412 -9.529 -1.477 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.815 -11.985 -0.342 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.510 -11.613 -2.957 1.00 10.00 H new ATOM 231 N ASN A 16 -0.368 -9.030 4.121 1.00 10.00 N ATOM 232 CA ASN A 16 -0.422 -8.086 5.243 1.00 10.00 C ATOM 233 C ASN A 16 0.565 -8.461 6.362 1.00 10.00 C ATOM 234 O ASN A 16 1.243 -7.605 6.937 1.00 10.00 O ATOM 235 CB ASN A 16 -1.859 -7.978 5.789 1.00 10.00 C ATOM 236 CG ASN A 16 -2.260 -9.198 6.615 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.369 -9.132 7.834 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.415 -10.342 5.958 1.00 10.00 N ATOM 0 H ASN A 16 -0.406 -10.004 4.421 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.118 -7.110 4.864 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.945 -7.082 6.404 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.553 -7.862 4.957 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.631 -11.198 6.469 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.318 -10.364 4.943 1.00 10.00 H new ATOM 292 N SER A 20 5.198 -9.764 3.253 1.00 10.00 N ATOM 293 CA SER A 20 4.612 -9.194 2.063 1.00 10.00 C ATOM 294 C SER A 20 3.530 -8.200 2.471 1.00 10.00 C ATOM 295 O SER A 20 2.503 -8.614 2.996 1.00 10.00 O ATOM 296 CB SER A 20 4.037 -10.356 1.240 1.00 10.00 C ATOM 297 OG SER A 20 3.850 -11.515 2.046 1.00 10.00 O ATOM 0 HA SER A 20 5.344 -8.654 1.463 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.085 -10.058 0.801 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.710 -10.589 0.415 1.00 10.00 H new ATOM 0 HG SER A 20 4.089 -11.310 2.974 1.00 10.00 H new ATOM 303 N THR A 21 3.775 -6.907 2.262 1.00 10.00 N ATOM 304 CA THR A 21 2.860 -5.840 2.635 1.00 10.00 C ATOM 305 C THR A 21 2.307 -5.168 1.371 1.00 10.00 C ATOM 306 O THR A 21 2.967 -4.298 0.795 1.00 10.00 O ATOM 307 CB THR A 21 3.594 -4.850 3.549 1.00 10.00 C ATOM 308 OG1 THR A 21 4.265 -5.532 4.594 1.00 10.00 O ATOM 309 CG2 THR A 21 2.581 -3.929 4.211 1.00 10.00 C ATOM 0 H THR A 21 4.631 -6.571 1.821 1.00 10.00 H new ATOM 0 HA THR A 21 2.009 -6.238 3.187 1.00 10.00 H new ATOM 0 HB THR A 21 4.306 -4.297 2.936 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.310 -4.955 5.385 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.100 -3.225 4.861 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.033 -3.380 3.445 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.883 -4.521 4.802 1.00 10.00 H new ATOM 317 N TRP A 22 1.110 -5.583 0.937 1.00 10.00 N ATOM 318 CA TRP A 22 0.366 -4.982 -0.160 1.00 10.00 C ATOM 319 C TRP A 22 -0.848 -4.233 0.395 1.00 10.00 C ATOM 320 O TRP A 22 -1.185 -4.387 1.567 1.00 10.00 O ATOM 321 CB TRP A 22 -0.120 -6.067 -1.124 1.00 10.00 C ATOM 322 CG TRP A 22 0.892 -6.832 -1.923 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.233 -6.769 -1.791 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.653 -7.741 -3.040 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.834 -7.537 -2.759 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.910 -8.156 -3.569 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.502 -8.248 -3.670 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.019 -9.014 -4.672 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.408 -9.139 -4.754 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.848 -9.514 -5.264 1.00 10.00 C ATOM 0 H TRP A 22 0.623 -6.374 1.359 1.00 10.00 H new ATOM 0 HA TRP A 22 1.021 -4.291 -0.691 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.696 -6.788 -0.545 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.809 -5.599 -1.827 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.756 -6.200 -1.037 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.844 -7.636 -2.864 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.476 -7.947 -3.314 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.989 -9.286 -5.061 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.308 -9.539 -5.198 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.912 -10.184 -6.108 1.00 10.00 H new ATOM 341 N LEU A 23 -1.529 -3.446 -0.444 1.00 10.00 N ATOM 342 CA LEU A 23 -2.748 -2.726 -0.092 1.00 10.00 C ATOM 343 C LEU A 23 -3.367 -2.113 -1.346 1.00 10.00 C ATOM 344 O LEU A 23 -2.709 -2.081 -2.388 1.00 10.00 O ATOM 345 CB LEU A 23 -2.498 -1.683 1.010 1.00 10.00 C ATOM 346 CG LEU A 23 -1.188 -0.892 0.865 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.338 0.261 -0.119 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.801 -0.295 2.215 1.00 10.00 C ATOM 0 H LEU A 23 -1.237 -3.291 -1.409 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.464 -3.434 0.326 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.331 -0.980 1.021 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.495 -2.189 1.975 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.427 -1.583 0.502 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.393 0.798 -0.197 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.615 -0.130 -1.098 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.114 0.941 0.233 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.128 0.266 2.112 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.592 0.372 2.558 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.662 -1.096 2.941 1.00 10.00 H new ATOM 360 N ILE A 24 -4.620 -1.647 -1.232 1.00 10.00 N ATOM 361 CA ILE A 24 -5.421 -1.090 -2.321 1.00 10.00 C ATOM 362 C ILE A 24 -5.653 0.399 -2.072 1.00 10.00 C ATOM 363 O ILE A 24 -6.343 0.772 -1.115 1.00 10.00 O ATOM 364 CB ILE A 24 -6.774 -1.816 -2.449 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.573 -3.262 -2.922 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.689 -1.098 -3.460 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.736 -4.145 -2.448 1.00 10.00 C ATOM 0 H ILE A 24 -5.118 -1.650 -0.342 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.875 -1.229 -3.254 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.239 -1.810 -1.463 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.506 -3.290 -4.010 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.631 -3.651 -2.535 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.638 -1.629 -3.533 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.870 -0.076 -3.126 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.207 -1.080 -4.438 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.580 -5.168 -2.791 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.783 -4.131 -1.359 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.672 -3.764 -2.857 1.00 10.00 H new ATOM 379 N LEU A 25 -5.109 1.233 -2.962 1.00 10.00 N ATOM 380 CA LEU A 25 -5.346 2.664 -3.014 1.00 10.00 C ATOM 381 C LEU A 25 -6.039 2.950 -4.345 1.00 10.00 C ATOM 382 O LEU A 25 -5.470 2.707 -5.407 1.00 10.00 O ATOM 383 CB LEU A 25 -4.020 3.429 -2.905 1.00 10.00 C ATOM 384 CG LEU A 25 -3.429 3.700 -1.519 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.879 2.690 -0.490 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.900 3.749 -1.582 1.00 10.00 C ATOM 0 H LEU A 25 -4.470 0.911 -3.689 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.970 2.991 -2.182 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.274 2.878 -3.478 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -4.154 4.391 -3.399 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.805 4.673 -1.202 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.431 2.929 0.474 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.965 2.719 -0.403 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.566 1.692 -0.798 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.501 3.943 -0.586 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.520 2.794 -1.946 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.589 4.545 -2.259 1.00 10.00 H new ATOM 398 N HIS A 26 -7.281 3.432 -4.291 1.00 10.00 N ATOM 399 CA HIS A 26 -8.058 3.852 -5.451 1.00 10.00 C ATOM 400 C HIS A 26 -8.116 2.743 -6.507 1.00 10.00 C ATOM 401 O HIS A 26 -7.884 2.990 -7.688 1.00 10.00 O ATOM 402 CB HIS A 26 -7.519 5.172 -6.025 1.00 10.00 C ATOM 403 CG HIS A 26 -7.380 6.274 -5.005 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.367 7.137 -4.579 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.238 6.586 -4.322 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.819 7.949 -3.655 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.523 7.652 -3.466 1.00 10.00 N ATOM 0 H HIS A 26 -7.786 3.543 -3.412 1.00 10.00 H new ATOM 0 HA HIS A 26 -9.082 4.037 -5.128 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.546 4.988 -6.480 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.184 5.509 -6.820 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.282 6.094 -4.426 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.350 8.733 -3.136 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.876 8.113 -2.826 1.00 10.00 H new ATOM 415 N TYR A 27 -8.426 1.519 -6.067 1.00 10.00 N ATOM 416 CA TYR A 27 -8.543 0.322 -6.894 1.00 10.00 C ATOM 417 C TYR A 27 -7.202 -0.160 -7.475 1.00 10.00 C ATOM 418 O TYR A 27 -7.195 -1.104 -8.267 1.00 10.00 O ATOM 419 CB TYR A 27 -9.609 0.498 -7.992 1.00 10.00 C ATOM 420 CG TYR A 27 -10.976 0.965 -7.515 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.280 2.338 -7.430 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.970 0.020 -7.206 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.538 2.756 -6.957 1.00 10.00 C ATOM 424 CE2 TYR A 27 -13.237 0.435 -6.767 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.514 1.803 -6.619 1.00 10.00 C ATOM 426 OH TYR A 27 -14.738 2.198 -6.171 1.00 10.00 O ATOM 0 H TYR A 27 -8.609 1.332 -5.081 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.875 -0.472 -6.225 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.236 1.214 -8.724 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.731 -0.453 -8.510 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.546 3.072 -7.729 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.757 -1.034 -7.307 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.753 3.809 -6.854 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.998 -0.298 -6.543 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.289 1.409 -5.985 1.00 10.00 H new ATOM 436 N LYS A 28 -6.070 0.445 -7.089 1.00 10.00 N ATOM 437 CA LYS A 28 -4.745 0.082 -7.579 1.00 10.00 C ATOM 438 C LYS A 28 -3.940 -0.536 -6.433 1.00 10.00 C ATOM 439 O LYS A 28 -4.040 -0.065 -5.298 1.00 10.00 O ATOM 440 CB LYS A 28 -4.062 1.309 -8.195 1.00 10.00 C ATOM 441 CG LYS A 28 -4.953 1.923 -9.282 1.00 10.00 C ATOM 442 CD LYS A 28 -4.264 3.093 -9.993 1.00 10.00 C ATOM 443 CE LYS A 28 -5.266 3.866 -10.863 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.711 3.087 -12.038 1.00 10.00 N ATOM 0 H LYS A 28 -6.056 1.212 -6.417 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.818 -0.665 -8.369 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.860 2.048 -7.420 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.101 1.023 -8.622 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.214 1.157 -10.013 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.885 2.268 -8.835 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.822 3.763 -9.256 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.449 2.719 -10.613 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.133 4.137 -10.260 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.809 4.796 -11.199 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.729 3.239 -12.190 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.185 3.397 -12.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.533 2.076 -11.872 1.00 10.00 H new ATOM 458 N VAL A 29 -3.193 -1.613 -6.712 1.00 10.00 N ATOM 459 CA VAL A 29 -2.448 -2.362 -5.709 1.00 10.00 C ATOM 460 C VAL A 29 -0.979 -1.937 -5.701 1.00 10.00 C ATOM 461 O VAL A 29 -0.342 -1.823 -6.755 1.00 10.00 O ATOM 462 CB VAL A 29 -2.573 -3.879 -5.920 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.179 -4.627 -4.639 1.00 10.00 C ATOM 464 CG2 VAL A 29 -4.003 -4.281 -6.273 1.00 10.00 C ATOM 0 H VAL A 29 -3.092 -1.988 -7.655 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.884 -2.131 -4.737 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.908 -4.142 -6.743 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.272 -5.701 -4.802 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.148 -4.387 -4.380 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.837 -4.325 -3.824 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.053 -5.361 -6.415 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.673 -3.990 -5.464 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.305 -3.780 -7.193 1.00 10.00 H new ATOM 474 N TYR A 30 -0.447 -1.730 -4.495 1.00 10.00 N ATOM 475 CA TYR A 30 0.912 -1.272 -4.261 1.00 10.00 C ATOM 476 C TYR A 30 1.629 -2.275 -3.363 1.00 10.00 C ATOM 477 O TYR A 30 1.133 -2.535 -2.269 1.00 10.00 O ATOM 478 CB TYR A 30 0.834 0.102 -3.586 1.00 10.00 C ATOM 479 CG TYR A 30 0.224 1.152 -4.488 1.00 10.00 C ATOM 480 CD1 TYR A 30 -1.168 1.357 -4.498 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.017 1.741 -5.484 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.751 2.161 -5.492 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.432 2.564 -6.461 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.953 2.771 -6.468 1.00 10.00 C ATOM 485 OH TYR A 30 -1.526 3.519 -7.454 1.00 10.00 O ATOM 0 H TYR A 30 -0.970 -1.883 -3.633 1.00 10.00 H new ATOM 0 HA TYR A 30 1.467 -1.190 -5.195 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.243 0.023 -2.673 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.835 0.417 -3.291 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.788 0.897 -3.743 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.082 1.561 -5.500 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.821 2.309 -5.503 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.052 3.038 -7.208 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.828 3.870 -8.046 1.00 10.00 H new ATOM 495 N ASP A 31 2.775 -2.813 -3.803 1.00 10.00 N ATOM 496 CA ASP A 31 3.690 -3.538 -2.923 1.00 10.00 C ATOM 497 C ASP A 31 4.693 -2.520 -2.408 1.00 10.00 C ATOM 498 O ASP A 31 5.392 -1.900 -3.208 1.00 10.00 O ATOM 499 CB ASP A 31 4.428 -4.668 -3.657 1.00 10.00 C ATOM 500 CG ASP A 31 5.333 -5.477 -2.726 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.980 -4.867 -1.849 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.342 -6.719 -2.878 1.00 10.00 O ATOM 0 H ASP A 31 3.088 -2.756 -4.772 1.00 10.00 H new ATOM 0 HA ASP A 31 3.129 -4.008 -2.115 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.699 -5.334 -4.119 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.027 -4.243 -4.462 1.00 10.00 H new ATOM 507 N LEU A 32 4.743 -2.321 -1.091 1.00 10.00 N ATOM 508 CA LEU A 32 5.709 -1.441 -0.460 1.00 10.00 C ATOM 509 C LEU A 32 6.483 -2.228 0.594 1.00 10.00 C ATOM 510 O LEU A 32 6.990 -1.659 1.558 1.00 10.00 O ATOM 511 CB LEU A 32 4.984 -0.247 0.160 1.00 10.00 C ATOM 512 CG LEU A 32 3.988 0.423 -0.802 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.609 0.510 -0.144 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.546 1.778 -1.237 1.00 10.00 C ATOM 0 H LEU A 32 4.107 -2.772 -0.433 1.00 10.00 H new ATOM 0 HA LEU A 32 6.415 -1.061 -1.198 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.452 -0.577 1.052 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.720 0.490 0.482 1.00 10.00 H new ATOM 0 HG LEU A 32 3.857 -0.172 -1.706 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.908 0.985 -0.830 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.257 -0.493 0.097 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.679 1.100 0.770 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.845 2.258 -1.919 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.691 2.410 -0.361 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.501 1.633 -1.741 1.00 10.00 H new ATOM 526 N THR A 33 6.579 -3.545 0.422 1.00 10.00 N ATOM 527 CA THR A 33 7.125 -4.450 1.415 1.00 10.00 C ATOM 528 C THR A 33 8.600 -4.147 1.691 1.00 10.00 C ATOM 529 O THR A 33 9.061 -4.264 2.823 1.00 10.00 O ATOM 530 CB THR A 33 6.850 -5.898 0.974 1.00 10.00 C ATOM 531 OG1 THR A 33 6.591 -6.689 2.108 1.00 10.00 O ATOM 532 CG2 THR A 33 7.954 -6.542 0.130 1.00 10.00 C ATOM 0 H THR A 33 6.272 -4.015 -0.429 1.00 10.00 H new ATOM 0 HA THR A 33 6.630 -4.305 2.375 1.00 10.00 H new ATOM 0 HB THR A 33 5.982 -5.848 0.317 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.145 -7.497 2.077 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.666 -7.561 -0.130 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.100 -5.962 -0.781 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.883 -6.562 0.700 1.00 10.00 H new ATOM 540 N LYS A 34 9.337 -3.730 0.658 1.00 10.00 N ATOM 541 CA LYS A 34 10.709 -3.260 0.802 1.00 10.00 C ATOM 542 C LYS A 34 10.757 -1.881 1.467 1.00 10.00 C ATOM 543 O LYS A 34 11.750 -1.540 2.100 1.00 10.00 O ATOM 544 CB LYS A 34 11.393 -3.235 -0.573 1.00 10.00 C ATOM 545 CG LYS A 34 12.178 -4.529 -0.818 1.00 10.00 C ATOM 546 CD LYS A 34 13.545 -4.469 -0.112 1.00 10.00 C ATOM 547 CE LYS A 34 14.352 -5.768 -0.247 1.00 10.00 C ATOM 548 NZ LYS A 34 14.737 -6.054 -1.645 1.00 10.00 N ATOM 0 H LYS A 34 8.994 -3.710 -0.302 1.00 10.00 H new ATOM 0 HA LYS A 34 11.248 -3.949 1.452 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.644 -3.106 -1.354 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.066 -2.380 -0.633 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.609 -5.383 -0.450 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.320 -4.678 -1.888 1.00 10.00 H new ATOM 0 HD2 LYS A 34 14.125 -3.644 -0.526 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.392 -4.252 0.945 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.250 -5.699 0.367 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.764 -6.599 0.141 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.279 -6.941 -1.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.881 -6.147 -2.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.322 -5.275 -2.010 1.00 10.00 H new ATOM 562 N PHE A 35 9.682 -1.101 1.328 1.00 10.00 N ATOM 563 CA PHE A 35 9.639 0.315 1.656 1.00 10.00 C ATOM 564 C PHE A 35 9.192 0.522 3.104 1.00 10.00 C ATOM 565 O PHE A 35 8.997 1.655 3.522 1.00 10.00 O ATOM 566 CB PHE A 35 8.661 1.009 0.694 1.00 10.00 C ATOM 567 CG PHE A 35 8.865 2.502 0.509 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.088 2.986 0.013 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.846 3.413 0.852 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.325 4.367 -0.068 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.075 4.796 0.750 1.00 10.00 C ATOM 572 CZ PHE A 35 9.324 5.274 0.316 1.00 10.00 C ATOM 0 H PHE A 35 8.793 -1.454 0.973 1.00 10.00 H new ATOM 0 HA PHE A 35 10.635 0.744 1.550 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.736 0.527 -0.281 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.646 0.842 1.054 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.850 2.291 -0.308 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.889 3.048 1.193 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.277 4.732 -0.425 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.290 5.493 1.005 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.513 6.337 0.278 1.00 10.00 H new ATOM 582 N LEU A 36 8.982 -0.546 3.878 1.00 10.00 N ATOM 583 CA LEU A 36 8.470 -0.438 5.236 1.00 10.00 C ATOM 584 C LEU A 36 9.355 0.467 6.091 1.00 10.00 C ATOM 585 O LEU A 36 8.890 1.470 6.626 1.00 10.00 O ATOM 586 CB LEU A 36 8.378 -1.841 5.843 1.00 10.00 C ATOM 587 CG LEU A 36 7.258 -2.672 5.204 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.370 -4.107 5.721 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.878 -2.127 5.585 1.00 10.00 C ATOM 0 H LEU A 36 9.163 -1.504 3.578 1.00 10.00 H new ATOM 0 HA LEU A 36 7.479 0.015 5.210 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.330 -2.355 5.713 1.00 10.00 H new ATOM 0 HB3 LEU A 36 8.203 -1.761 6.916 1.00 10.00 H new ATOM 0 HG LEU A 36 7.363 -2.628 4.120 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.582 -4.716 5.278 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.342 -4.517 5.448 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.266 -4.112 6.806 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.104 -2.736 5.117 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.760 -2.160 6.668 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.786 -1.097 5.241 1.00 10.00 H new ATOM 601 N GLU A 37 10.630 0.098 6.213 1.00 10.00 N ATOM 602 CA GLU A 37 11.607 0.842 6.996 1.00 10.00 C ATOM 603 C GLU A 37 11.816 2.237 6.384 1.00 10.00 C ATOM 604 O GLU A 37 11.909 3.234 7.096 1.00 10.00 O ATOM 605 CB GLU A 37 12.886 -0.006 7.090 1.00 10.00 C ATOM 606 CG GLU A 37 13.808 0.361 8.265 1.00 10.00 C ATOM 607 CD GLU A 37 14.683 1.583 8.012 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.045 1.789 6.833 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.013 2.256 9.011 1.00 10.00 O ATOM 0 H GLU A 37 11.014 -0.734 5.765 1.00 10.00 H new ATOM 0 HA GLU A 37 11.261 1.023 8.014 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.606 -1.056 7.179 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.445 0.097 6.160 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.197 0.542 9.149 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.449 -0.491 8.490 1.00 10.00 H new ATOM 616 N GLU A 38 11.815 2.304 5.048 1.00 10.00 N ATOM 617 CA GLU A 38 11.994 3.526 4.281 1.00 10.00 C ATOM 618 C GLU A 38 10.889 4.544 4.582 1.00 10.00 C ATOM 619 O GLU A 38 11.148 5.739 4.705 1.00 10.00 O ATOM 620 CB GLU A 38 11.992 3.167 2.792 1.00 10.00 C ATOM 621 CG GLU A 38 13.112 2.192 2.404 1.00 10.00 C ATOM 622 CD GLU A 38 13.277 2.118 0.889 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.609 3.170 0.302 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.025 1.028 0.332 1.00 10.00 O ATOM 0 H GLU A 38 11.685 1.481 4.460 1.00 10.00 H new ATOM 0 HA GLU A 38 12.942 3.986 4.559 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.029 2.726 2.532 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.094 4.080 2.205 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.050 2.511 2.860 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.887 1.200 2.797 1.00 10.00 H new ATOM 631 N HIS A 39 9.645 4.067 4.635 1.00 10.00 N ATOM 632 CA HIS A 39 8.447 4.892 4.730 1.00 10.00 C ATOM 633 C HIS A 39 8.493 5.773 5.985 1.00 10.00 C ATOM 634 O HIS A 39 8.325 5.258 7.091 1.00 10.00 O ATOM 635 CB HIS A 39 7.199 3.997 4.741 1.00 10.00 C ATOM 636 CG HIS A 39 5.891 4.748 4.829 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.933 4.598 5.808 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.385 5.599 3.884 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.880 5.358 5.452 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.106 5.996 4.287 1.00 10.00 N ATOM 0 H HIS A 39 9.441 3.068 4.612 1.00 10.00 H new ATOM 0 HA HIS A 39 8.402 5.549 3.861 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.195 3.390 3.836 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.267 3.311 5.585 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.008 4.020 6.645 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.888 5.911 2.981 1.00 10.00 H new ATOM 0 HE1 HIS A 39 2.970 5.445 6.027 1.00 10.00 H new ATOM 648 N PRO A 40 8.647 7.102 5.857 1.00 10.00 N ATOM 649 CA PRO A 40 8.769 7.981 7.012 1.00 10.00 C ATOM 650 C PRO A 40 7.472 8.014 7.824 1.00 10.00 C ATOM 651 O PRO A 40 7.501 8.261 9.026 1.00 10.00 O ATOM 652 CB PRO A 40 9.144 9.352 6.447 1.00 10.00 C ATOM 653 CG PRO A 40 8.521 9.333 5.053 1.00 10.00 C ATOM 654 CD PRO A 40 8.673 7.874 4.623 1.00 10.00 C ATOM 0 HA PRO A 40 9.529 7.633 7.712 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.744 10.162 7.056 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.225 9.489 6.404 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.475 9.640 5.075 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.037 10.010 4.372 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.865 7.575 3.956 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.607 7.719 4.082 1.00 10.00 H new ATOM 662 N GLY A 41 6.331 7.719 7.189 1.00 10.00 N ATOM 663 CA GLY A 41 5.067 7.548 7.887 1.00 10.00 C ATOM 664 C GLY A 41 5.031 6.318 8.797 1.00 10.00 C ATOM 665 O GLY A 41 4.054 6.132 9.518 1.00 10.00 O ATOM 0 H GLY A 41 6.266 7.594 6.179 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.868 8.438 8.485 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.264 7.471 7.154 1.00 10.00 H new ATOM 669 N GLY A 42 6.065 5.470 8.761 1.00 10.00 N ATOM 670 CA GLY A 42 6.226 4.344 9.660 1.00 10.00 C ATOM 671 C GLY A 42 5.881 3.032 8.964 1.00 10.00 C ATOM 672 O GLY A 42 4.918 2.960 8.193 1.00 10.00 O ATOM 0 H GLY A 42 6.825 5.558 8.087 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.253 4.308 10.022 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.585 4.476 10.532 1.00 10.00 H new ATOM 676 N GLU A 43 6.656 1.986 9.272 1.00 10.00 N ATOM 677 CA GLU A 43 6.364 0.627 8.855 1.00 10.00 C ATOM 678 C GLU A 43 5.029 0.184 9.449 1.00 10.00 C ATOM 679 O GLU A 43 4.175 -0.347 8.747 1.00 10.00 O ATOM 680 CB GLU A 43 7.506 -0.319 9.259 1.00 10.00 C ATOM 681 CG GLU A 43 7.843 -0.380 10.759 1.00 10.00 C ATOM 682 CD GLU A 43 8.932 -1.409 11.039 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.845 -2.501 10.434 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.803 -1.096 11.876 1.00 10.00 O ATOM 0 H GLU A 43 7.510 2.069 9.824 1.00 10.00 H new ATOM 0 HA GLU A 43 6.283 0.591 7.769 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.252 -1.325 8.924 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.404 -0.021 8.718 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.171 0.602 11.101 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.947 -0.632 11.326 1.00 10.00 H new ATOM 691 N ALA A 44 4.851 0.417 10.753 1.00 10.00 N ATOM 692 CA ALA A 44 3.707 -0.055 11.515 1.00 10.00 C ATOM 693 C ALA A 44 2.407 0.441 10.889 1.00 10.00 C ATOM 694 O ALA A 44 1.487 -0.341 10.671 1.00 10.00 O ATOM 695 CB ALA A 44 3.834 0.399 12.971 1.00 10.00 C ATOM 0 H ALA A 44 5.516 0.951 11.313 1.00 10.00 H new ATOM 0 HA ALA A 44 3.686 -1.145 11.496 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.975 0.043 13.539 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.748 -0.010 13.401 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.870 1.488 13.011 1.00 10.00 H new ATOM 701 N VAL A 45 2.349 1.736 10.577 1.00 10.00 N ATOM 702 CA VAL A 45 1.206 2.365 9.932 1.00 10.00 C ATOM 703 C VAL A 45 0.885 1.639 8.620 1.00 10.00 C ATOM 704 O VAL A 45 -0.239 1.175 8.421 1.00 10.00 O ATOM 705 CB VAL A 45 1.509 3.862 9.742 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.443 4.570 8.900 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.594 4.559 11.107 1.00 10.00 C ATOM 0 H VAL A 45 3.111 2.385 10.771 1.00 10.00 H new ATOM 0 HA VAL A 45 0.312 2.288 10.551 1.00 10.00 H new ATOM 0 HB VAL A 45 2.461 3.926 9.215 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.703 5.623 8.795 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.393 4.109 7.914 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.526 4.482 9.391 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.809 5.618 10.962 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.645 4.450 11.631 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.389 4.105 11.698 1.00 10.00 H new ATOM 717 N LEU A 46 1.878 1.509 7.734 1.00 10.00 N ATOM 718 CA LEU A 46 1.693 0.769 6.492 1.00 10.00 C ATOM 719 C LEU A 46 1.191 -0.647 6.768 1.00 10.00 C ATOM 720 O LEU A 46 0.259 -1.110 6.118 1.00 10.00 O ATOM 721 CB LEU A 46 2.999 0.709 5.681 1.00 10.00 C ATOM 722 CG LEU A 46 3.111 1.815 4.624 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.516 1.781 4.014 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.102 1.618 3.487 1.00 10.00 C ATOM 0 H LEU A 46 2.810 1.905 7.857 1.00 10.00 H new ATOM 0 HA LEU A 46 0.943 1.300 5.906 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.846 0.782 6.364 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.069 -0.261 5.190 1.00 10.00 H new ATOM 0 HG LEU A 46 2.908 2.766 5.116 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.605 2.564 3.261 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.257 1.945 4.797 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.688 0.810 3.549 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.213 2.421 2.759 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.284 0.660 3.001 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.090 1.633 3.892 1.00 10.00 H new ATOM 736 N ARG A 47 1.818 -1.341 7.718 1.00 10.00 N ATOM 737 CA ARG A 47 1.556 -2.747 7.958 1.00 10.00 C ATOM 738 C ARG A 47 0.116 -2.916 8.442 1.00 10.00 C ATOM 739 O ARG A 47 -0.612 -3.781 7.970 1.00 10.00 O ATOM 740 CB ARG A 47 2.544 -3.313 8.983 1.00 10.00 C ATOM 741 CG ARG A 47 2.581 -4.845 8.853 1.00 10.00 C ATOM 742 CD ARG A 47 3.903 -5.344 8.247 1.00 10.00 C ATOM 743 NE ARG A 47 4.732 -5.990 9.276 1.00 10.00 N ATOM 744 CZ ARG A 47 4.522 -7.243 9.709 1.00 10.00 C ATOM 745 NH1 ARG A 47 3.512 -7.951 9.198 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.314 -7.779 10.645 1.00 10.00 N ATOM 0 H ARG A 47 2.520 -0.938 8.339 1.00 10.00 H new ATOM 0 HA ARG A 47 1.688 -3.302 7.029 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.538 -2.897 8.817 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.244 -3.028 9.991 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.441 -5.295 9.836 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.750 -5.175 8.230 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.697 -6.050 7.442 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.446 -4.508 7.807 1.00 10.00 H new ATOM 0 HE ARG A 47 5.504 -5.460 9.680 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.909 -7.539 8.486 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.343 -8.904 9.520 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.084 -7.235 11.035 1.00 10.00 H new ATOM 0 HH22 ARG A 47 5.148 -8.732 10.969 1.00 10.00 H new ATOM 760 N ALA A 48 -0.290 -2.065 9.383 1.00 10.00 N ATOM 761 CA ALA A 48 -1.625 -2.034 9.950 1.00 10.00 C ATOM 762 C ALA A 48 -2.670 -1.877 8.847 1.00 10.00 C ATOM 763 O ALA A 48 -3.670 -2.590 8.827 1.00 10.00 O ATOM 764 CB ALA A 48 -1.689 -0.878 10.948 1.00 10.00 C ATOM 0 H ALA A 48 0.327 -1.357 9.781 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.842 -2.970 10.464 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.685 -0.833 11.389 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.950 -1.035 11.734 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.478 0.059 10.433 1.00 10.00 H new ATOM 770 N GLN A 49 -2.421 -0.950 7.920 1.00 10.00 N ATOM 771 CA GLN A 49 -3.302 -0.684 6.797 1.00 10.00 C ATOM 772 C GLN A 49 -3.149 -1.718 5.675 1.00 10.00 C ATOM 773 O GLN A 49 -3.924 -1.710 4.721 1.00 10.00 O ATOM 774 CB GLN A 49 -2.989 0.729 6.299 1.00 10.00 C ATOM 775 CG GLN A 49 -3.793 1.790 7.062 1.00 10.00 C ATOM 776 CD GLN A 49 -3.531 1.852 8.568 1.00 10.00 C ATOM 777 OE1 GLN A 49 -4.031 1.035 9.334 1.00 10.00 O ATOM 778 NE2 GLN A 49 -2.784 2.852 9.025 1.00 10.00 N ATOM 0 H GLN A 49 -1.590 -0.359 7.934 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.340 -0.759 7.120 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.923 0.928 6.414 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.213 0.798 5.235 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.574 2.767 6.631 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.855 1.602 6.902 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.376 3.523 8.374 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.619 2.949 10.027 1.00 10.00 H new ATOM 787 N ALA A 50 -2.140 -2.584 5.747 1.00 10.00 N ATOM 788 CA ALA A 50 -1.890 -3.569 4.710 1.00 10.00 C ATOM 789 C ALA A 50 -3.031 -4.577 4.583 1.00 10.00 C ATOM 790 O ALA A 50 -3.775 -4.819 5.531 1.00 10.00 O ATOM 791 CB ALA A 50 -0.560 -4.268 4.956 1.00 10.00 C ATOM 0 H ALA A 50 -1.479 -2.619 6.523 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.835 -3.040 3.758 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.385 -5.004 4.171 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.244 -3.532 4.949 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.586 -4.769 5.924 1.00 10.00 H new ATOM 797 N GLY A 51 -3.146 -5.181 3.400 1.00 10.00 N ATOM 798 CA GLY A 51 -4.124 -6.211 3.094 1.00 10.00 C ATOM 799 C GLY A 51 -5.167 -5.720 2.092 1.00 10.00 C ATOM 800 O GLY A 51 -5.682 -6.503 1.299 1.00 10.00 O ATOM 0 H GLY A 51 -2.542 -4.957 2.610 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.616 -7.087 2.691 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.621 -6.525 4.012 1.00 10.00 H new ATOM 804 N GLY A 52 -5.500 -4.430 2.100 1.00 10.00 N ATOM 805 CA GLY A 52 -6.558 -3.917 1.250 1.00 10.00 C ATOM 806 C GLY A 52 -7.114 -2.645 1.862 1.00 10.00 C ATOM 807 O GLY A 52 -6.475 -2.095 2.754 1.00 10.00 O ATOM 0 H GLY A 52 -5.050 -3.727 2.686 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.173 -3.716 0.250 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.349 -4.660 1.144 1.00 10.00 H new ATOM 811 N ASP A 53 -8.269 -2.202 1.348 1.00 10.00 N ATOM 812 CA ASP A 53 -8.967 -0.954 1.656 1.00 10.00 C ATOM 813 C ASP A 53 -8.170 0.008 2.541 1.00 10.00 C ATOM 814 O ASP A 53 -8.470 0.199 3.719 1.00 10.00 O ATOM 815 CB ASP A 53 -10.360 -1.230 2.234 1.00 10.00 C ATOM 816 CG ASP A 53 -11.146 0.068 2.415 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.746 1.079 1.788 1.00 10.00 O ATOM 818 OD2 ASP A 53 -12.145 0.020 3.163 1.00 10.00 O ATOM 0 H ASP A 53 -8.775 -2.751 0.653 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.081 -0.436 0.704 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.906 -1.900 1.571 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.265 -1.738 3.193 1.00 10.00 H new ATOM 823 N ALA A 54 -7.141 0.621 1.950 1.00 10.00 N ATOM 824 CA ALA A 54 -6.381 1.675 2.598 1.00 10.00 C ATOM 825 C ALA A 54 -6.524 2.962 1.799 1.00 10.00 C ATOM 826 O ALA A 54 -5.727 3.880 1.970 1.00 10.00 O ATOM 827 CB ALA A 54 -4.914 1.263 2.719 1.00 10.00 C ATOM 0 H ALA A 54 -6.817 0.396 1.009 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.767 1.844 3.603 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.351 2.059 3.206 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.840 0.351 3.312 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.503 1.084 1.725 1.00 10.00 H new ATOM 833 N THR A 55 -7.522 3.039 0.915 1.00 10.00 N ATOM 834 CA THR A 55 -7.688 4.190 0.051 1.00 10.00 C ATOM 835 C THR A 55 -7.991 5.417 0.909 1.00 10.00 C ATOM 836 O THR A 55 -7.291 6.423 0.811 1.00 10.00 O ATOM 837 CB THR A 55 -8.759 3.888 -1.004 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.362 2.770 -1.783 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.913 5.079 -1.950 1.00 10.00 C ATOM 0 H THR A 55 -8.225 2.311 0.785 1.00 10.00 H new ATOM 0 HA THR A 55 -6.773 4.410 -0.499 1.00 10.00 H new ATOM 0 HB THR A 55 -9.699 3.686 -0.490 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.733 2.221 -1.270 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.676 4.855 -2.696 1.00 10.00 H new ATOM 0 HG22 THR A 55 -9.210 5.960 -1.381 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.963 5.272 -2.449 1.00 10.00 H new ATOM 847 N ALA A 56 -8.994 5.304 1.786 1.00 10.00 N ATOM 848 CA ALA A 56 -9.344 6.361 2.724 1.00 10.00 C ATOM 849 C ALA A 56 -8.138 6.716 3.594 1.00 10.00 C ATOM 850 O ALA A 56 -7.763 7.875 3.699 1.00 10.00 O ATOM 851 CB ALA A 56 -10.537 5.922 3.577 1.00 10.00 C ATOM 0 H ALA A 56 -9.583 4.474 1.861 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.631 7.256 2.171 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.795 6.716 4.277 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.390 5.716 2.931 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.276 5.020 4.131 1.00 10.00 H new ATOM 857 N ASN A 57 -7.510 5.708 4.205 1.00 10.00 N ATOM 858 CA ASN A 57 -6.321 5.894 5.033 1.00 10.00 C ATOM 859 C ASN A 57 -5.270 6.728 4.298 1.00 10.00 C ATOM 860 O ASN A 57 -4.797 7.735 4.818 1.00 10.00 O ATOM 861 CB ASN A 57 -5.747 4.533 5.456 1.00 10.00 C ATOM 862 CG ASN A 57 -6.012 4.242 6.929 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.244 4.652 7.792 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.079 3.510 7.235 1.00 10.00 N ATOM 0 H ASN A 57 -7.815 4.737 4.137 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.608 6.439 5.932 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.188 3.746 4.845 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.673 4.517 5.269 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.275 3.276 8.208 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.701 3.182 6.496 1.00 10.00 H new ATOM 871 N PHE A 58 -4.906 6.304 3.087 1.00 10.00 N ATOM 872 CA PHE A 58 -3.980 7.022 2.226 1.00 10.00 C ATOM 873 C PHE A 58 -4.429 8.467 1.989 1.00 10.00 C ATOM 874 O PHE A 58 -3.692 9.392 2.325 1.00 10.00 O ATOM 875 CB PHE A 58 -3.820 6.261 0.906 1.00 10.00 C ATOM 876 CG PHE A 58 -3.038 6.997 -0.166 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.632 6.957 -0.177 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.725 7.675 -1.191 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.916 7.615 -1.193 1.00 10.00 C ATOM 880 CE2 PHE A 58 -3.010 8.324 -2.211 1.00 10.00 C ATOM 881 CZ PHE A 58 -1.604 8.298 -2.211 1.00 10.00 C ATOM 0 H PHE A 58 -5.255 5.438 2.675 1.00 10.00 H new ATOM 0 HA PHE A 58 -3.012 7.077 2.724 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.325 5.311 1.109 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.811 6.027 0.516 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.102 6.420 0.596 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.805 7.696 -1.193 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.164 7.596 -1.191 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -3.540 8.843 -2.996 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.054 8.802 -2.992 1.00 10.00 H new ATOM 891 N GLU A 59 -5.602 8.679 1.381 1.00 10.00 N ATOM 892 CA GLU A 59 -5.999 10.015 0.948 1.00 10.00 C ATOM 893 C GLU A 59 -6.202 10.957 2.139 1.00 10.00 C ATOM 894 O GLU A 59 -5.851 12.135 2.074 1.00 10.00 O ATOM 895 CB GLU A 59 -7.176 9.943 -0.033 1.00 10.00 C ATOM 896 CG GLU A 59 -8.496 9.451 0.571 1.00 10.00 C ATOM 897 CD GLU A 59 -9.324 10.561 1.207 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.530 11.578 0.511 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.747 10.359 2.364 1.00 10.00 O ATOM 0 H GLU A 59 -6.284 7.947 1.181 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.183 10.466 0.383 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.336 10.934 -0.458 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.903 9.283 -0.856 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -9.086 8.970 -0.209 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.282 8.692 1.323 1.00 10.00 H new ATOM 906 N ALA A 60 -6.682 10.411 3.258 1.00 10.00 N ATOM 907 CA ALA A 60 -6.766 11.106 4.533 1.00 10.00 C ATOM 908 C ALA A 60 -5.421 11.728 4.923 1.00 10.00 C ATOM 909 O ALA A 60 -5.403 12.822 5.484 1.00 10.00 O ATOM 910 CB ALA A 60 -7.274 10.155 5.621 1.00 10.00 C ATOM 0 H ALA A 60 -7.029 9.453 3.298 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.479 11.924 4.429 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.333 10.687 6.571 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.263 9.787 5.350 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.588 9.314 5.718 1.00 10.00 H new ATOM 916 N VAL A 61 -4.299 11.065 4.608 1.00 10.00 N ATOM 917 CA VAL A 61 -2.965 11.645 4.732 1.00 10.00 C ATOM 918 C VAL A 61 -2.418 11.946 3.331 1.00 10.00 C ATOM 919 O VAL A 61 -1.336 11.503 2.961 1.00 10.00 O ATOM 920 CB VAL A 61 -2.077 10.767 5.642 1.00 10.00 C ATOM 921 CG1 VAL A 61 -1.739 9.384 5.076 1.00 10.00 C ATOM 922 CG2 VAL A 61 -0.779 11.482 6.043 1.00 10.00 C ATOM 0 H VAL A 61 -4.297 10.107 4.259 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.987 12.607 5.244 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.698 10.601 6.523 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.113 8.843 5.786 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.660 8.826 4.906 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -1.204 9.498 4.133 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.186 10.828 6.682 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -0.208 11.729 5.148 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -1.020 12.397 6.584 1.00 10.00 H new ATOM 932 N GLY A 62 -3.196 12.714 2.556 1.00 10.00 N ATOM 933 CA GLY A 62 -2.894 13.197 1.214 1.00 10.00 C ATOM 934 C GLY A 62 -1.409 13.483 0.992 1.00 10.00 C ATOM 935 O GLY A 62 -0.905 14.538 1.371 1.00 10.00 O ATOM 0 H GLY A 62 -4.111 13.031 2.876 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.227 12.457 0.486 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -3.464 14.107 1.027 1.00 10.00 H new ATOM 939 N HIS A 63 -0.727 12.520 0.374 1.00 10.00 N ATOM 940 CA HIS A 63 0.712 12.515 0.188 1.00 10.00 C ATOM 941 C HIS A 63 1.156 13.559 -0.848 1.00 10.00 C ATOM 942 O HIS A 63 0.330 14.121 -1.568 1.00 10.00 O ATOM 943 CB HIS A 63 1.105 11.096 -0.230 1.00 10.00 C ATOM 944 CG HIS A 63 1.031 10.082 0.888 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.073 9.396 1.345 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.121 9.557 1.515 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.365 8.454 2.203 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.703 8.501 2.335 1.00 10.00 N ATOM 0 H HIS A 63 -1.182 11.697 -0.022 1.00 10.00 H new ATOM 0 HA HIS A 63 1.216 12.791 1.114 1.00 10.00 H new ATOM 0 HB2 HIS A 63 0.453 10.774 -1.042 1.00 10.00 H new ATOM 0 HB3 HIS A 63 2.121 11.113 -0.624 1.00 10.00 H new ATOM 0 HD2 HIS A 63 3.139 9.899 1.399 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.275 7.752 2.718 1.00 10.00 H new ATOM 0 HE2 HIS A 63 2.289 7.896 2.910 1.00 10.00 H new ATOM 956 N SER A 64 2.466 13.816 -0.931 1.00 10.00 N ATOM 957 CA SER A 64 3.050 14.773 -1.866 1.00 10.00 C ATOM 958 C SER A 64 3.062 14.243 -3.306 1.00 10.00 C ATOM 959 O SER A 64 2.681 13.111 -3.586 1.00 10.00 O ATOM 960 CB SER A 64 4.465 15.153 -1.409 1.00 10.00 C ATOM 961 OG SER A 64 4.955 16.237 -2.184 1.00 10.00 O ATOM 0 H SER A 64 3.158 13.356 -0.339 1.00 10.00 H new ATOM 0 HA SER A 64 2.423 15.665 -1.866 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.453 15.427 -0.354 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.130 14.295 -1.509 1.00 10.00 H new ATOM 0 HG SER A 64 5.857 16.473 -1.883 1.00 10.00 H new ATOM 967 N THR A 65 3.528 15.073 -4.237 1.00 10.00 N ATOM 968 CA THR A 65 3.590 14.781 -5.665 1.00 10.00 C ATOM 969 C THR A 65 4.551 13.629 -5.933 1.00 10.00 C ATOM 970 O THR A 65 4.137 12.564 -6.389 1.00 10.00 O ATOM 971 CB THR A 65 4.031 16.052 -6.406 1.00 10.00 C ATOM 972 OG1 THR A 65 5.181 16.593 -5.777 1.00 10.00 O ATOM 973 CG2 THR A 65 2.924 17.110 -6.411 1.00 10.00 C ATOM 0 H THR A 65 3.885 16.000 -4.008 1.00 10.00 H new ATOM 0 HA THR A 65 2.607 14.476 -6.025 1.00 10.00 H new ATOM 0 HB THR A 65 4.253 15.778 -7.437 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.463 17.403 -6.251 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.270 17.996 -6.943 1.00 10.00 H new ATOM 0 HG22 THR A 65 2.040 16.710 -6.908 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.673 17.378 -5.385 1.00 10.00 H new ATOM 981 N ASP A 66 5.824 13.855 -5.609 1.00 10.00 N ATOM 982 CA ASP A 66 6.865 12.836 -5.586 1.00 10.00 C ATOM 983 C ASP A 66 6.308 11.540 -5.026 1.00 10.00 C ATOM 984 O ASP A 66 6.364 10.502 -5.666 1.00 10.00 O ATOM 985 CB ASP A 66 7.992 13.316 -4.672 1.00 10.00 C ATOM 986 CG ASP A 66 9.127 12.304 -4.643 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.015 11.359 -3.835 1.00 10.00 O ATOM 988 OD2 ASP A 66 10.073 12.494 -5.436 1.00 10.00 O ATOM 0 H ASP A 66 6.166 14.780 -5.348 1.00 10.00 H new ATOM 0 HA ASP A 66 7.231 12.666 -6.598 1.00 10.00 H new ATOM 0 HB2 ASP A 66 8.365 14.279 -5.021 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.609 13.469 -3.663 1.00 10.00 H new ATOM 993 N ALA A 67 5.698 11.644 -3.851 1.00 10.00 N ATOM 994 CA ALA A 67 5.140 10.518 -3.124 1.00 10.00 C ATOM 995 C ALA A 67 4.040 9.813 -3.926 1.00 10.00 C ATOM 996 O ALA A 67 4.017 8.587 -3.991 1.00 10.00 O ATOM 997 CB ALA A 67 4.653 10.971 -1.752 1.00 10.00 C ATOM 0 H ALA A 67 5.577 12.535 -3.369 1.00 10.00 H new ATOM 0 HA ALA A 67 5.927 9.779 -2.974 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.236 10.119 -1.214 1.00 10.00 H new ATOM 0 HB2 ALA A 67 5.489 11.383 -1.187 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.885 11.735 -1.873 1.00 10.00 H new ATOM 1003 N ARG A 68 3.132 10.557 -4.562 1.00 10.00 N ATOM 1004 CA ARG A 68 2.096 9.997 -5.429 1.00 10.00 C ATOM 1005 C ARG A 68 2.739 9.256 -6.608 1.00 10.00 C ATOM 1006 O ARG A 68 2.261 8.202 -7.030 1.00 10.00 O ATOM 1007 CB ARG A 68 1.147 11.112 -5.907 1.00 10.00 C ATOM 1008 CG ARG A 68 0.298 11.650 -4.741 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.075 13.133 -4.855 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.476 13.366 -5.236 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.910 13.648 -6.473 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.089 13.492 -7.516 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.160 14.091 -6.653 1.00 10.00 N ATOM 0 H ARG A 68 3.096 11.574 -4.488 1.00 10.00 H new ATOM 0 HA ARG A 68 1.504 9.275 -4.866 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.726 11.925 -6.345 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.494 10.728 -6.690 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.618 11.063 -4.674 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.844 11.497 -3.810 1.00 10.00 H new ATOM 0 HD2 ARG A 68 0.118 13.621 -3.899 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.575 13.606 -5.591 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.177 13.308 -4.497 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.136 13.159 -7.370 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.416 13.705 -8.458 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.778 14.213 -5.851 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.494 14.307 -7.592 1.00 10.00 H new ATOM 1027 N GLU A 69 3.842 9.784 -7.133 1.00 10.00 N ATOM 1028 CA GLU A 69 4.545 9.151 -8.243 1.00 10.00 C ATOM 1029 C GLU A 69 5.376 7.947 -7.778 1.00 10.00 C ATOM 1030 O GLU A 69 5.531 6.939 -8.471 1.00 10.00 O ATOM 1031 CB GLU A 69 5.353 10.237 -8.944 1.00 10.00 C ATOM 1032 CG GLU A 69 4.436 11.065 -9.862 1.00 10.00 C ATOM 1033 CD GLU A 69 3.815 10.248 -10.995 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.563 9.876 -11.923 1.00 10.00 O ATOM 1035 OE2 GLU A 69 2.596 9.979 -10.905 1.00 10.00 O ATOM 0 H GLU A 69 4.268 10.651 -6.806 1.00 10.00 H new ATOM 0 HA GLU A 69 3.846 8.721 -8.960 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.824 10.886 -8.205 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.155 9.785 -9.528 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.639 11.508 -9.264 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.009 11.888 -10.289 1.00 10.00 H new ATOM 1042 N LEU A 70 5.871 8.030 -6.553 1.00 10.00 N ATOM 1043 CA LEU A 70 6.580 6.979 -5.862 1.00 10.00 C ATOM 1044 C LEU A 70 5.626 5.793 -5.687 1.00 10.00 C ATOM 1045 O LEU A 70 5.904 4.674 -6.104 1.00 10.00 O ATOM 1046 CB LEU A 70 7.146 7.572 -4.560 1.00 10.00 C ATOM 1047 CG LEU A 70 7.958 6.665 -3.638 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.715 5.687 -4.501 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.910 7.493 -2.770 1.00 10.00 C ATOM 0 H LEU A 70 5.782 8.877 -5.991 1.00 10.00 H new ATOM 0 HA LEU A 70 7.435 6.590 -6.415 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.775 8.420 -4.829 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.309 7.966 -3.984 1.00 10.00 H new ATOM 0 HG LEU A 70 7.299 6.124 -2.959 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.306 5.025 -3.868 1.00 10.00 H new ATOM 0 HD12 LEU A 70 8.010 5.097 -5.086 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.377 6.232 -5.173 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.480 6.829 -2.120 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.595 8.050 -3.410 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.334 8.190 -2.162 1.00 10.00 H new ATOM 1061 N SER A 71 4.447 6.059 -5.146 1.00 10.00 N ATOM 1062 CA SER A 71 3.304 5.146 -5.210 1.00 10.00 C ATOM 1063 C SER A 71 3.250 4.447 -6.572 1.00 10.00 C ATOM 1064 O SER A 71 3.410 3.234 -6.634 1.00 10.00 O ATOM 1065 CB SER A 71 1.968 5.837 -4.907 1.00 10.00 C ATOM 1066 OG SER A 71 2.059 6.704 -3.796 1.00 10.00 O ATOM 0 H SER A 71 4.249 6.924 -4.643 1.00 10.00 H new ATOM 0 HA SER A 71 3.455 4.401 -4.429 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.646 6.402 -5.782 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.205 5.082 -4.716 1.00 10.00 H new ATOM 0 HG SER A 71 2.670 7.441 -4.006 1.00 10.00 H new ATOM 1072 N LYS A 72 3.081 5.189 -7.673 1.00 10.00 N ATOM 1073 CA LYS A 72 3.049 4.580 -9.004 1.00 10.00 C ATOM 1074 C LYS A 72 4.305 3.737 -9.294 1.00 10.00 C ATOM 1075 O LYS A 72 4.208 2.674 -9.901 1.00 10.00 O ATOM 1076 CB LYS A 72 2.838 5.652 -10.081 1.00 10.00 C ATOM 1077 CG LYS A 72 1.514 6.412 -9.884 1.00 10.00 C ATOM 1078 CD LYS A 72 0.688 6.428 -11.177 1.00 10.00 C ATOM 1079 CE LYS A 72 1.317 7.391 -12.195 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.804 7.186 -13.562 1.00 10.00 N ATOM 0 H LYS A 72 2.965 6.202 -7.668 1.00 10.00 H new ATOM 0 HA LYS A 72 2.203 3.894 -9.027 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.668 6.358 -10.058 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.845 5.184 -11.065 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.937 5.943 -9.086 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.722 7.435 -9.569 1.00 10.00 H new ATOM 0 HD2 LYS A 72 0.638 5.424 -11.598 1.00 10.00 H new ATOM 0 HD3 LYS A 72 -0.335 6.734 -10.960 1.00 10.00 H new ATOM 0 HE2 LYS A 72 1.120 8.418 -11.887 1.00 10.00 H new ATOM 0 HE3 LYS A 72 2.399 7.259 -12.193 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 1.260 7.860 -14.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.014 6.215 -13.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.225 7.338 -13.573 1.00 10.00 H new ATOM 1094 N THR A 73 5.477 4.164 -8.828 1.00 10.00 N ATOM 1095 CA THR A 73 6.716 3.394 -8.927 1.00 10.00 C ATOM 1096 C THR A 73 6.594 2.035 -8.226 1.00 10.00 C ATOM 1097 O THR A 73 7.198 1.056 -8.659 1.00 10.00 O ATOM 1098 CB THR A 73 7.901 4.232 -8.411 1.00 10.00 C ATOM 1099 OG1 THR A 73 7.940 5.461 -9.115 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.249 3.512 -8.522 1.00 10.00 C ATOM 0 H THR A 73 5.595 5.065 -8.365 1.00 10.00 H new ATOM 0 HA THR A 73 6.908 3.169 -9.976 1.00 10.00 H new ATOM 0 HB THR A 73 7.739 4.404 -7.347 1.00 10.00 H new ATOM 0 HG1 THR A 73 7.201 6.032 -8.818 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.039 4.159 -8.141 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.220 2.592 -7.938 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.448 3.272 -9.566 1.00 10.00 H new ATOM 1108 N PHE A 74 5.785 1.972 -7.169 1.00 10.00 N ATOM 1109 CA PHE A 74 5.473 0.755 -6.426 1.00 10.00 C ATOM 1110 C PHE A 74 4.190 0.081 -6.914 1.00 10.00 C ATOM 1111 O PHE A 74 3.726 -0.870 -6.281 1.00 10.00 O ATOM 1112 CB PHE A 74 5.356 1.084 -4.932 1.00 10.00 C ATOM 1113 CG PHE A 74 6.686 1.325 -4.256 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.596 0.259 -4.135 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.979 2.571 -3.672 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.827 0.455 -3.493 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.175 2.739 -2.957 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.121 1.702 -2.922 1.00 10.00 C ATOM 0 H PHE A 74 5.314 2.796 -6.795 1.00 10.00 H new ATOM 0 HA PHE A 74 6.287 0.050 -6.595 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.732 1.970 -4.812 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.846 0.264 -4.427 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.346 -0.712 -4.537 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.287 3.394 -3.773 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.545 -0.350 -3.438 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.367 3.664 -2.435 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.080 1.865 -2.453 1.00 10.00 H new ATOM 1128 N ILE A 75 3.591 0.550 -8.013 1.00 10.00 N ATOM 1129 CA ILE A 75 2.416 -0.121 -8.549 1.00 10.00 C ATOM 1130 C ILE A 75 2.804 -1.537 -8.984 1.00 10.00 C ATOM 1131 O ILE A 75 3.796 -1.716 -9.688 1.00 10.00 O ATOM 1132 CB ILE A 75 1.779 0.713 -9.674 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.258 0.640 -9.547 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.266 0.332 -11.078 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.438 1.526 -10.569 1.00 10.00 C ATOM 0 H ILE A 75 3.895 1.372 -8.534 1.00 10.00 H new ATOM 0 HA ILE A 75 1.648 -0.214 -7.781 1.00 10.00 H new ATOM 0 HB ILE A 75 2.104 1.746 -9.550 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.068 -0.392 -9.678 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.038 0.943 -8.542 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.773 0.963 -11.818 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.345 0.475 -11.140 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.027 -0.713 -11.275 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.518 1.445 -10.445 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.132 2.562 -10.421 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.163 1.207 -11.574 1.00 10.00 H new ATOM 1147 N ILE A 76 2.032 -2.545 -8.574 1.00 10.00 N ATOM 1148 CA ILE A 76 2.227 -3.916 -9.037 1.00 10.00 C ATOM 1149 C ILE A 76 1.098 -4.348 -9.974 1.00 10.00 C ATOM 1150 O ILE A 76 1.215 -5.369 -10.652 1.00 10.00 O ATOM 1151 CB ILE A 76 2.368 -4.856 -7.837 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.217 -4.637 -6.843 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.735 -4.640 -7.172 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.059 -5.848 -5.937 1.00 10.00 C ATOM 0 H ILE A 76 1.260 -2.433 -7.917 1.00 10.00 H new ATOM 0 HA ILE A 76 3.150 -3.966 -9.615 1.00 10.00 H new ATOM 0 HB ILE A 76 2.311 -5.890 -8.178 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.412 -3.749 -6.242 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.289 -4.458 -7.386 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.834 -5.310 -6.318 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.527 -4.850 -7.891 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.816 -3.607 -6.834 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.239 -5.676 -5.239 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.842 -6.729 -6.541 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.982 -6.009 -5.380 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.004 -3.595 -9.998 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.163 -3.852 -10.820 1.00 10.00 C ATOM 1168 C GLY A 77 -2.375 -3.328 -10.074 1.00 10.00 C ATOM 1169 O GLY A 77 -2.250 -2.419 -9.250 1.00 10.00 O ATOM 0 H GLY A 77 -0.106 -2.761 -9.420 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.065 -3.358 -11.787 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.265 -4.919 -11.016 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.540 -3.890 -10.374 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.811 -3.322 -9.986 1.00 10.00 C ATOM 1175 C GLU A 78 -5.744 -4.365 -9.378 1.00 10.00 C ATOM 1176 O GLU A 78 -5.490 -5.569 -9.412 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.423 -2.628 -11.203 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.588 -1.439 -11.692 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.398 -0.595 -12.663 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.863 -1.165 -13.670 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.567 0.609 -12.366 1.00 10.00 O ATOM 0 H GLU A 78 -3.622 -4.761 -10.899 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.654 -2.585 -9.198 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.527 -3.350 -12.013 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.426 -2.283 -10.952 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.275 -0.831 -10.843 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.681 -1.797 -12.179 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.826 -3.878 -8.780 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.839 -4.712 -8.169 1.00 10.00 C ATOM 1190 C LEU A 79 -8.545 -5.538 -9.247 1.00 10.00 C ATOM 1191 O LEU A 79 -8.971 -5.000 -10.270 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.827 -3.789 -7.463 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.984 -4.553 -6.808 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.569 -5.150 -5.464 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.124 -3.560 -6.637 1.00 10.00 C ATOM 0 H LEU A 79 -7.021 -2.879 -8.708 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.397 -5.405 -7.453 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.300 -3.213 -6.702 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.229 -3.075 -8.182 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.290 -5.393 -7.432 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.413 -5.684 -5.027 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.740 -5.841 -5.613 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.258 -4.351 -4.791 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.975 -4.059 -6.173 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.797 -2.736 -6.003 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.419 -3.173 -7.612 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.701 -6.839 -9.011 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.387 -7.745 -9.922 1.00 10.00 C ATOM 1209 C HIS A 80 -10.804 -7.252 -10.233 1.00 10.00 C ATOM 1210 O HIS A 80 -11.545 -6.905 -9.316 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.400 -9.162 -9.338 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.496 -10.242 -10.380 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.647 -10.835 -10.834 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.448 -10.803 -11.061 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.304 -11.720 -11.780 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.973 -11.732 -11.962 1.00 10.00 N ATOM 0 H HIS A 80 -8.349 -7.297 -8.170 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.844 -7.768 -10.867 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.493 -9.313 -8.753 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.241 -9.255 -8.651 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.402 -10.569 -10.925 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.003 -12.340 -12.322 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.451 -12.305 -12.625 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.222 -7.250 -11.510 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.564 -6.836 -11.899 1.00 10.00 C ATOM 1226 C PRO A 81 -13.671 -7.761 -11.370 1.00 10.00 C ATOM 1227 O PRO A 81 -14.840 -7.476 -11.594 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.548 -6.804 -13.429 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.468 -7.819 -13.796 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.449 -7.649 -12.677 1.00 10.00 C ATOM 0 HA PRO A 81 -12.801 -5.865 -11.463 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.516 -7.080 -13.846 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.310 -5.810 -13.807 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.863 -8.834 -13.832 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.033 -7.611 -14.774 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.909 -8.578 -12.492 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.706 -6.894 -12.933 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.316 -8.852 -10.683 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.269 -9.701 -9.973 1.00 10.00 C ATOM 1240 C ASP A 82 -14.750 -9.014 -8.689 1.00 10.00 C ATOM 1241 O ASP A 82 -15.898 -9.178 -8.287 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.611 -11.050 -9.662 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.571 -12.002 -8.965 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.461 -12.519 -9.672 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.351 -12.235 -7.758 1.00 10.00 O ATOM 0 H ASP A 82 -12.350 -9.170 -10.606 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.142 -9.871 -10.603 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.258 -11.504 -10.588 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.736 -10.890 -9.032 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.862 -8.242 -8.048 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.191 -7.515 -6.827 1.00 10.00 C ATOM 1252 C ASP A 83 -15.187 -6.387 -7.122 1.00 10.00 C ATOM 1253 O ASP A 83 -16.211 -6.263 -6.453 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.902 -6.971 -6.202 1.00 10.00 C ATOM 1255 CG ASP A 83 -13.177 -6.211 -4.912 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.734 -5.097 -4.993 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.774 -6.745 -3.860 1.00 10.00 O ATOM 0 H ASP A 83 -12.901 -8.108 -8.364 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.667 -8.191 -6.117 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.220 -7.796 -5.999 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.403 -6.312 -6.913 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.840 -5.568 -8.122 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.572 -4.365 -8.503 1.00 10.00 C ATOM 1264 C ARG A 84 -17.042 -4.643 -8.831 1.00 10.00 C ATOM 1265 O ARG A 84 -17.288 -5.591 -9.607 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.904 -3.712 -9.722 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.908 -2.642 -9.275 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.097 -2.096 -10.455 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.011 -3.011 -10.856 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.294 -2.888 -11.987 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.640 -1.972 -12.899 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.230 -3.664 -12.210 1.00 10.00 N ATOM 0 H ARG A 84 -14.018 -5.733 -8.702 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.545 -3.696 -7.643 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.391 -4.471 -10.313 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.663 -3.266 -10.365 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.444 -1.825 -8.792 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.231 -3.063 -8.531 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.761 -1.929 -11.303 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.674 -1.128 -10.186 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.789 -3.788 -10.234 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.446 -1.369 -12.736 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.098 -1.877 -13.758 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.953 -4.360 -11.518 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.695 -3.560 -13.072 1.00 10.00 H new