USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 927 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 Single : A 4 ASN : amide:sc= -2.01! K(o=-2!,f=-0.043) USER MOD Single : A 8 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.778 K(o=-0.78,f=-0.16) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00915 USER MOD Single : A 24 SER OG : rot -150:sc= 0.701 USER MOD Single : A 25 ASN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 171:sc= 1.6 USER MOD Single : A 38 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 69:sc= 0.00204 USER MOD Single : A 49 CYS SG : rot 84:sc= 0.0644 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 43:sc= 0.111 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -8.74! C(o=-8.7!,f=-9.6!) USER MOD Single : A 68 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.718 X(o=-0.72,f=-0.31) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 83 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.26) USER MOD Single : A 84 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.5) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -5.159 -13.138 -9.515 1.00 0.00 N ATOM 41 CA ASN A 4 -4.905 -11.843 -8.894 1.00 0.00 C ATOM 42 C ASN A 4 -4.238 -12.015 -7.530 1.00 0.00 C ATOM 43 O ASN A 4 -4.712 -12.789 -6.697 1.00 0.00 O ATOM 44 CB ASN A 4 -6.214 -11.064 -8.741 1.00 0.00 C ATOM 45 CG ASN A 4 -6.004 -9.564 -8.811 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.143 -8.955 -9.872 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.668 -8.960 -7.678 1.00 0.00 N ATOM 0 HA ASN A 4 -4.229 -11.283 -9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.909 -11.368 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.677 -11.320 -7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.514 -7.952 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.564 -9.504 -6.822 1.00 0.00 H new ATOM 54 N PRO A 5 -3.125 -11.298 -7.280 1.00 0.00 N ATOM 55 CA PRO A 5 -2.401 -11.383 -6.005 1.00 0.00 C ATOM 56 C PRO A 5 -3.258 -10.944 -4.822 1.00 0.00 C ATOM 57 O PRO A 5 -3.139 -11.484 -3.723 1.00 0.00 O ATOM 58 CB PRO A 5 -1.218 -10.423 -6.189 1.00 0.00 C ATOM 59 CG PRO A 5 -1.092 -10.236 -7.662 1.00 0.00 C ATOM 60 CD PRO A 5 -2.483 -10.354 -8.211 1.00 0.00 C ATOM 0 HA PRO A 5 -2.102 -12.407 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.400 -9.473 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.304 -10.839 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.660 -9.263 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.435 -10.989 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.994 -9.391 -8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.483 -10.732 -9.233 1.00 0.00 H new ATOM 68 N ALA A 6 -4.120 -9.959 -5.056 1.00 0.00 N ATOM 69 CA ALA A 6 -4.995 -9.444 -4.009 1.00 0.00 C ATOM 70 C ALA A 6 -6.085 -10.450 -3.657 1.00 0.00 C ATOM 71 O ALA A 6 -6.464 -10.587 -2.493 1.00 0.00 O ATOM 72 CB ALA A 6 -5.613 -8.122 -4.443 1.00 0.00 C ATOM 0 H ALA A 6 -4.231 -9.502 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.393 -9.277 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.264 -7.748 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.822 -7.397 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.196 -8.274 -5.352 1.00 0.00 H new ATOM 78 N GLU A 7 -6.586 -11.154 -4.667 1.00 0.00 N ATOM 79 CA GLU A 7 -7.635 -12.148 -4.462 1.00 0.00 C ATOM 80 C GLU A 7 -7.098 -13.360 -3.707 1.00 0.00 C ATOM 81 O GLU A 7 -7.714 -13.827 -2.748 1.00 0.00 O ATOM 82 CB GLU A 7 -8.217 -12.589 -5.807 1.00 0.00 C ATOM 83 CG GLU A 7 -9.309 -11.669 -6.327 1.00 0.00 C ATOM 84 CD GLU A 7 -10.012 -12.231 -7.548 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.009 -12.963 -7.375 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.565 -11.939 -8.678 1.00 0.00 O ATOM 0 H GLU A 7 -6.283 -11.055 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.423 -11.690 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.414 -12.638 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.620 -13.597 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.041 -11.497 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.875 -10.700 -6.576 1.00 0.00 H new ATOM 93 N ASN A 8 -5.948 -13.864 -4.144 1.00 0.00 N ATOM 94 CA ASN A 8 -5.330 -15.023 -3.508 1.00 0.00 C ATOM 95 C ASN A 8 -4.976 -14.720 -2.056 1.00 0.00 C ATOM 96 O ASN A 8 -5.049 -15.596 -1.193 1.00 0.00 O ATOM 97 CB ASN A 8 -4.075 -15.443 -4.276 1.00 0.00 C ATOM 98 CG ASN A 8 -3.828 -16.937 -4.205 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.316 -17.699 -5.040 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.068 -17.365 -3.204 1.00 0.00 N ATOM 0 H ASN A 8 -5.425 -13.489 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.048 -15.843 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.173 -15.143 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.211 -14.915 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.868 -18.360 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.684 -16.698 -2.534 1.00 0.00 H new ATOM 107 N PHE A 9 -4.591 -13.475 -1.795 1.00 0.00 N ATOM 108 CA PHE A 9 -4.226 -13.052 -0.447 1.00 0.00 C ATOM 109 C PHE A 9 -5.459 -12.996 0.452 1.00 0.00 C ATOM 110 O PHE A 9 -5.445 -13.505 1.573 1.00 0.00 O ATOM 111 CB PHE A 9 -3.537 -11.684 -0.495 1.00 0.00 C ATOM 112 CG PHE A 9 -3.718 -10.862 0.752 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.029 -11.177 1.912 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.577 -9.775 0.760 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.193 -10.421 3.059 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.746 -9.016 1.903 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.053 -9.340 3.054 1.00 0.00 C ATOM 0 H PHE A 9 -4.524 -12.741 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.532 -13.782 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.471 -11.832 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.924 -11.124 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.356 -12.022 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.121 -9.518 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.650 -10.676 3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.419 -8.171 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.184 -8.749 3.948 1.00 0.00 H new ATOM 127 N ARG A 10 -6.521 -12.374 -0.050 1.00 0.00 N ATOM 128 CA ARG A 10 -7.763 -12.245 0.704 1.00 0.00 C ATOM 129 C ARG A 10 -8.324 -13.615 1.075 1.00 0.00 C ATOM 130 O ARG A 10 -8.901 -13.790 2.148 1.00 0.00 O ATOM 131 CB ARG A 10 -8.797 -11.461 -0.106 1.00 0.00 C ATOM 132 CG ARG A 10 -8.665 -9.954 0.037 1.00 0.00 C ATOM 133 CD ARG A 10 -9.619 -9.221 -0.894 1.00 0.00 C ATOM 134 NE ARG A 10 -9.269 -9.416 -2.299 1.00 0.00 N ATOM 135 CZ ARG A 10 -9.431 -8.486 -3.236 1.00 0.00 C ATOM 136 NH1 ARG A 10 -9.935 -7.301 -2.918 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.088 -8.741 -4.491 1.00 0.00 N ATOM 0 H ARG A 10 -6.546 -11.951 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.543 -11.703 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.700 -11.728 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.797 -11.761 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.868 -9.666 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.640 -9.655 -0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.636 -9.573 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.606 -8.156 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.878 -10.316 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.199 -7.101 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.058 -6.589 -3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.700 -9.651 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.213 -8.027 -5.209 1.00 0.00 H new ATOM 151 N VAL A 11 -8.152 -14.584 0.180 1.00 0.00 N ATOM 152 CA VAL A 11 -8.645 -15.936 0.416 1.00 0.00 C ATOM 153 C VAL A 11 -7.746 -16.688 1.392 1.00 0.00 C ATOM 154 O VAL A 11 -8.228 -17.366 2.299 1.00 0.00 O ATOM 155 CB VAL A 11 -8.744 -16.736 -0.898 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.242 -18.149 -0.632 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.652 -16.024 -1.890 1.00 0.00 C ATOM 0 H VAL A 11 -7.676 -14.458 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.641 -15.838 0.848 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.747 -16.804 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.304 -18.696 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.550 -18.658 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.229 -18.106 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.710 -16.604 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.649 -15.922 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.248 -15.035 -2.108 1.00 0.00 H new ATOM 167 N LEU A 12 -6.437 -16.567 1.196 1.00 0.00 N ATOM 168 CA LEU A 12 -5.466 -17.234 2.056 1.00 0.00 C ATOM 169 C LEU A 12 -5.627 -16.801 3.512 1.00 0.00 C ATOM 170 O LEU A 12 -5.333 -17.566 4.430 1.00 0.00 O ATOM 171 CB LEU A 12 -4.043 -16.939 1.580 1.00 0.00 C ATOM 172 CG LEU A 12 -3.261 -18.156 1.083 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.260 -17.747 0.013 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.555 -18.844 2.243 1.00 0.00 C ATOM 0 H LEU A 12 -6.023 -16.012 0.447 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.649 -18.307 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.090 -16.204 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.490 -16.481 2.400 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.964 -18.862 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.713 -18.626 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.789 -17.299 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.560 -17.022 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.003 -19.708 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.863 -18.146 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.293 -19.172 2.975 1.00 0.00 H new ATOM 186 N VAL A 13 -6.089 -15.571 3.716 1.00 0.00 N ATOM 187 CA VAL A 13 -6.282 -15.047 5.065 1.00 0.00 C ATOM 188 C VAL A 13 -7.715 -15.256 5.546 1.00 0.00 C ATOM 189 O VAL A 13 -8.044 -14.948 6.691 1.00 0.00 O ATOM 190 CB VAL A 13 -5.934 -13.548 5.147 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.461 -13.324 4.842 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.809 -12.741 4.201 1.00 0.00 C ATOM 0 H VAL A 13 -6.336 -14.921 2.969 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.604 -15.603 5.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.128 -13.206 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.234 -12.260 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.853 -13.868 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.239 -13.684 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.547 -11.685 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.652 -13.084 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.857 -12.875 4.471 1.00 0.00 H new ATOM 202 N LYS A 14 -8.563 -15.778 4.666 1.00 0.00 N ATOM 203 CA LYS A 14 -9.959 -16.026 5.006 1.00 0.00 C ATOM 204 C LYS A 14 -10.342 -17.478 4.736 1.00 0.00 C ATOM 205 O LYS A 14 -11.432 -17.761 4.237 1.00 0.00 O ATOM 206 CB LYS A 14 -10.872 -15.089 4.213 1.00 0.00 C ATOM 207 CG LYS A 14 -11.961 -14.448 5.055 1.00 0.00 C ATOM 208 CD LYS A 14 -13.316 -15.085 4.792 1.00 0.00 C ATOM 209 CE LYS A 14 -14.444 -14.254 5.381 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.555 -14.058 4.409 1.00 0.00 N ATOM 0 H LYS A 14 -8.308 -16.037 3.713 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.085 -15.832 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.267 -14.305 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.334 -15.648 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.711 -14.546 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.011 -13.381 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.466 -15.195 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.338 -16.087 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.827 -14.744 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.057 -13.283 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.304 -13.486 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.196 -13.567 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.942 -14.983 4.133 1.00 0.00 H new ATOM 224 N GLN A 15 -9.441 -18.397 5.069 1.00 0.00 N ATOM 225 CA GLN A 15 -9.689 -19.820 4.862 1.00 0.00 C ATOM 226 C GLN A 15 -9.733 -20.566 6.192 1.00 0.00 C ATOM 227 O GLN A 15 -10.643 -21.358 6.439 1.00 0.00 O ATOM 228 CB GLN A 15 -8.612 -20.425 3.959 1.00 0.00 C ATOM 229 CG GLN A 15 -7.197 -20.031 4.351 1.00 0.00 C ATOM 230 CD GLN A 15 -6.143 -20.740 3.524 1.00 0.00 C ATOM 231 OE1 GLN A 15 -5.224 -21.357 4.064 1.00 0.00 O ATOM 232 NE2 GLN A 15 -6.270 -20.656 2.204 1.00 0.00 N ATOM 0 H GLN A 15 -8.534 -18.182 5.483 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.659 -19.924 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.698 -21.511 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.795 -20.114 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.079 -18.953 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.040 -20.258 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.047 -20.134 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.590 -21.113 1.596 1.00 0.00 H new ATOM 241 N LYS A 16 -8.747 -20.304 7.047 1.00 0.00 N ATOM 242 CA LYS A 16 -8.670 -20.950 8.353 1.00 0.00 C ATOM 243 C LYS A 16 -7.504 -20.391 9.159 1.00 0.00 C ATOM 244 O LYS A 16 -7.621 -20.160 10.363 1.00 0.00 O ATOM 245 CB LYS A 16 -8.516 -22.464 8.194 1.00 0.00 C ATOM 246 CG LYS A 16 -7.316 -22.870 7.354 1.00 0.00 C ATOM 247 CD LYS A 16 -7.036 -24.360 7.466 1.00 0.00 C ATOM 248 CE LYS A 16 -6.205 -24.861 6.296 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.980 -25.575 6.750 1.00 0.00 N ATOM 0 H LYS A 16 -7.990 -19.648 6.857 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.597 -20.745 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.428 -22.917 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.421 -22.867 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.496 -22.610 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.439 -22.309 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.511 -24.563 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.978 -24.906 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.808 -25.530 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.921 -24.019 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.441 -25.901 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.391 -24.930 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.251 -26.394 7.331 1.00 0.00 H new ATOM 263 N LYS A 17 -6.380 -20.169 8.482 1.00 0.00 N ATOM 264 CA LYS A 17 -5.189 -19.641 9.116 1.00 0.00 C ATOM 265 C LYS A 17 -4.330 -18.911 8.094 1.00 0.00 C ATOM 266 O LYS A 17 -4.422 -19.163 6.893 1.00 0.00 O ATOM 267 CB LYS A 17 -4.377 -20.765 9.766 1.00 0.00 C ATOM 268 CG LYS A 17 -4.958 -21.268 11.077 1.00 0.00 C ATOM 269 CD LYS A 17 -4.144 -22.421 11.641 1.00 0.00 C ATOM 270 CE LYS A 17 -4.710 -22.909 12.965 1.00 0.00 C ATOM 271 NZ LYS A 17 -3.910 -24.030 13.531 1.00 0.00 N ATOM 0 H LYS A 17 -6.276 -20.351 7.484 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.498 -18.940 9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.307 -21.599 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.362 -20.410 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.986 -20.453 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.987 -21.590 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.131 -23.243 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.111 -22.104 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.733 -22.084 13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.740 -23.234 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.328 -24.334 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.909 -24.828 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.933 -23.712 13.692 1.00 0.00 H new ATOM 285 N ALA A 18 -3.499 -18.011 8.585 1.00 0.00 N ATOM 286 CA ALA A 18 -2.613 -17.231 7.729 1.00 0.00 C ATOM 287 C ALA A 18 -1.587 -16.461 8.554 1.00 0.00 C ATOM 288 O ALA A 18 -0.463 -16.235 8.106 1.00 0.00 O ATOM 289 CB ALA A 18 -3.420 -16.273 6.864 1.00 0.00 C ATOM 0 H ALA A 18 -3.416 -17.798 9.579 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.075 -17.924 7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.745 -15.698 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.109 -16.840 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.985 -15.594 7.503 1.00 0.00 H new ATOM 295 N SER A 19 -1.989 -16.058 9.760 1.00 0.00 N ATOM 296 CA SER A 19 -1.117 -15.307 10.666 1.00 0.00 C ATOM 297 C SER A 19 -0.870 -13.884 10.163 1.00 0.00 C ATOM 298 O SER A 19 -0.510 -13.001 10.943 1.00 0.00 O ATOM 299 CB SER A 19 0.217 -16.034 10.854 1.00 0.00 C ATOM 300 OG SER A 19 0.026 -17.435 10.953 1.00 0.00 O ATOM 0 H SER A 19 -2.920 -16.241 10.135 1.00 0.00 H new ATOM 0 HA SER A 19 -1.627 -15.240 11.627 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.877 -15.812 10.015 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.711 -15.667 11.754 1.00 0.00 H new ATOM 0 HG SER A 19 0.893 -17.876 11.071 1.00 0.00 H new ATOM 306 N PHE A 20 -1.058 -13.671 8.862 1.00 0.00 N ATOM 307 CA PHE A 20 -0.855 -12.356 8.258 1.00 0.00 C ATOM 308 C PHE A 20 0.623 -11.977 8.294 1.00 0.00 C ATOM 309 O PHE A 20 0.998 -10.927 8.817 1.00 0.00 O ATOM 310 CB PHE A 20 -1.694 -11.295 8.979 1.00 0.00 C ATOM 311 CG PHE A 20 -2.067 -10.126 8.112 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.236 -10.141 7.368 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.248 -9.010 8.043 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.582 -9.065 6.572 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.589 -7.932 7.249 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.756 -7.959 6.512 1.00 0.00 C ATOM 0 H PHE A 20 -1.351 -14.394 8.205 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.178 -12.403 7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.604 -11.760 9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.139 -10.932 9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.884 -11.004 7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.333 -8.983 8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.496 -9.089 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.942 -7.068 7.205 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.023 -7.117 5.890 1.00 0.00 H new ATOM 326 N GLU A 21 1.457 -12.844 7.727 1.00 0.00 N ATOM 327 CA GLU A 21 2.897 -12.617 7.693 1.00 0.00 C ATOM 328 C GLU A 21 3.483 -13.070 6.361 1.00 0.00 C ATOM 329 O GLU A 21 4.108 -12.285 5.647 1.00 0.00 O ATOM 330 CB GLU A 21 3.579 -13.360 8.843 1.00 0.00 C ATOM 331 CG GLU A 21 4.342 -12.446 9.788 1.00 0.00 C ATOM 332 CD GLU A 21 5.122 -13.213 10.838 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.991 -14.025 10.457 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.864 -13.003 12.042 1.00 0.00 O ATOM 0 H GLU A 21 1.158 -13.713 7.284 1.00 0.00 H new ATOM 0 HA GLU A 21 3.076 -11.548 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.825 -13.907 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.266 -14.099 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.028 -11.825 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.641 -11.773 10.281 1.00 0.00 H new ATOM 341 N GLU A 22 3.284 -14.343 6.035 1.00 0.00 N ATOM 342 CA GLU A 22 3.786 -14.900 4.786 1.00 0.00 C ATOM 343 C GLU A 22 3.029 -14.320 3.597 1.00 0.00 C ATOM 344 O GLU A 22 3.626 -13.963 2.580 1.00 0.00 O ATOM 345 CB GLU A 22 3.656 -16.423 4.797 1.00 0.00 C ATOM 346 CG GLU A 22 4.079 -17.062 6.110 1.00 0.00 C ATOM 347 CD GLU A 22 5.064 -18.198 5.914 1.00 0.00 C ATOM 348 OE1 GLU A 22 4.622 -19.315 5.573 1.00 0.00 O ATOM 349 OE2 GLU A 22 6.277 -17.971 6.103 1.00 0.00 O ATOM 0 H GLU A 22 2.778 -15.008 6.620 1.00 0.00 H new ATOM 0 HA GLU A 22 4.839 -14.635 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.620 -16.692 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.261 -16.836 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.528 -16.303 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.196 -17.436 6.629 1.00 0.00 H new ATOM 356 N ALA A 23 1.709 -14.224 3.735 1.00 0.00 N ATOM 357 CA ALA A 23 0.865 -13.686 2.676 1.00 0.00 C ATOM 358 C ALA A 23 1.125 -12.198 2.475 1.00 0.00 C ATOM 359 O ALA A 23 1.000 -11.680 1.364 1.00 0.00 O ATOM 360 CB ALA A 23 -0.603 -13.929 2.997 1.00 0.00 C ATOM 0 H ALA A 23 1.202 -14.513 4.572 1.00 0.00 H new ATOM 0 HA ALA A 23 1.112 -14.202 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.222 -13.522 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.783 -15.000 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.856 -13.439 3.937 1.00 0.00 H new ATOM 366 N SER A 24 1.491 -11.515 3.556 1.00 0.00 N ATOM 367 CA SER A 24 1.774 -10.088 3.498 1.00 0.00 C ATOM 368 C SER A 24 3.150 -9.839 2.892 1.00 0.00 C ATOM 369 O SER A 24 3.281 -9.134 1.891 1.00 0.00 O ATOM 370 CB SER A 24 1.701 -9.476 4.897 1.00 0.00 C ATOM 371 OG SER A 24 0.413 -9.646 5.461 1.00 0.00 O ATOM 0 H SER A 24 1.598 -11.929 4.482 1.00 0.00 H new ATOM 0 HA SER A 24 1.023 -9.615 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.448 -9.942 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.942 -8.414 4.846 1.00 0.00 H new ATOM 0 HG SER A 24 0.223 -8.904 6.073 1.00 0.00 H new ATOM 377 N ASN A 25 4.174 -10.416 3.517 1.00 0.00 N ATOM 378 CA ASN A 25 5.546 -10.271 3.038 1.00 0.00 C ATOM 379 C ASN A 25 5.640 -10.615 1.555 1.00 0.00 C ATOM 380 O ASN A 25 6.288 -9.907 0.782 1.00 0.00 O ATOM 381 CB ASN A 25 6.488 -11.166 3.844 1.00 0.00 C ATOM 382 CG ASN A 25 7.137 -10.431 5.000 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.174 -9.788 4.838 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.528 -10.523 6.176 1.00 0.00 N ATOM 0 H ASN A 25 4.079 -10.988 4.356 1.00 0.00 H new ATOM 0 HA ASN A 25 5.845 -9.231 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.932 -12.022 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.263 -11.559 3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.918 -10.050 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.670 -11.067 6.265 1.00 0.00 H new ATOM 391 N GLN A 26 4.987 -11.706 1.165 1.00 0.00 N ATOM 392 CA GLN A 26 4.990 -12.141 -0.227 1.00 0.00 C ATOM 393 C GLN A 26 4.319 -11.096 -1.109 1.00 0.00 C ATOM 394 O GLN A 26 4.799 -10.787 -2.200 1.00 0.00 O ATOM 395 CB GLN A 26 4.274 -13.485 -0.369 1.00 0.00 C ATOM 396 CG GLN A 26 5.172 -14.683 -0.109 1.00 0.00 C ATOM 397 CD GLN A 26 4.490 -16.001 -0.421 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.869 -16.613 0.448 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.604 -16.444 -1.668 1.00 0.00 N ATOM 0 H GLN A 26 4.450 -12.304 1.793 1.00 0.00 H new ATOM 0 HA GLN A 26 6.025 -12.261 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.433 -13.514 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.861 -13.563 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.075 -14.593 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.485 -14.678 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.129 -15.903 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.167 -17.325 -1.938 1.00 0.00 H new ATOM 408 N LEU A 27 3.199 -10.561 -0.630 1.00 0.00 N ATOM 409 CA LEU A 27 2.463 -9.542 -1.366 1.00 0.00 C ATOM 410 C LEU A 27 3.355 -8.343 -1.658 1.00 0.00 C ATOM 411 O LEU A 27 3.401 -7.848 -2.786 1.00 0.00 O ATOM 412 CB LEU A 27 1.230 -9.094 -0.579 1.00 0.00 C ATOM 413 CG LEU A 27 -0.078 -9.075 -1.374 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.247 -8.718 -0.469 1.00 0.00 C ATOM 415 CD2 LEU A 27 0.016 -8.095 -2.535 1.00 0.00 C ATOM 0 H LEU A 27 2.783 -10.818 0.265 1.00 0.00 H new ATOM 0 HA LEU A 27 2.138 -9.977 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.106 -9.755 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.413 -8.094 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.248 -10.073 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.168 -8.709 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.329 -9.457 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.083 -7.732 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.923 -8.095 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.211 -7.094 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.828 -8.393 -3.198 1.00 0.00 H new ATOM 427 N ILE A 28 4.067 -7.874 -0.634 1.00 0.00 N ATOM 428 CA ILE A 28 4.961 -6.734 -0.791 1.00 0.00 C ATOM 429 C ILE A 28 6.089 -7.064 -1.763 1.00 0.00 C ATOM 430 O ILE A 28 6.558 -6.198 -2.505 1.00 0.00 O ATOM 431 CB ILE A 28 5.544 -6.281 0.570 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.488 -4.758 0.687 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.972 -6.779 0.757 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.117 -4.231 1.051 1.00 0.00 C ATOM 0 H ILE A 28 4.041 -8.265 0.308 1.00 0.00 H new ATOM 0 HA ILE A 28 4.375 -5.910 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 28 4.935 -6.719 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.205 -4.433 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.798 -4.317 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.351 -6.443 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.985 -7.868 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.603 -6.382 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.151 -3.144 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.399 -4.526 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.812 -4.643 2.013 1.00 0.00 H new ATOM 446 N ASN A 29 6.521 -8.323 -1.751 1.00 0.00 N ATOM 447 CA ASN A 29 7.581 -8.774 -2.641 1.00 0.00 C ATOM 448 C ASN A 29 7.110 -8.695 -4.085 1.00 0.00 C ATOM 449 O ASN A 29 7.836 -8.230 -4.965 1.00 0.00 O ATOM 450 CB ASN A 29 7.995 -10.206 -2.299 1.00 0.00 C ATOM 451 CG ASN A 29 9.498 -10.400 -2.339 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.187 -10.201 -1.339 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.014 -10.787 -3.499 1.00 0.00 N ATOM 0 H ASN A 29 6.152 -9.046 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 29 8.447 -8.125 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.625 -10.460 -1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.524 -10.895 -3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.020 -10.931 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.405 -10.940 -4.302 1.00 0.00 H new ATOM 460 N HIS A 30 5.883 -9.153 -4.318 1.00 0.00 N ATOM 461 CA HIS A 30 5.298 -9.122 -5.650 1.00 0.00 C ATOM 462 C HIS A 30 5.205 -7.684 -6.138 1.00 0.00 C ATOM 463 O HIS A 30 5.533 -7.382 -7.287 1.00 0.00 O ATOM 464 CB HIS A 30 3.912 -9.768 -5.643 1.00 0.00 C ATOM 465 CG HIS A 30 3.903 -11.169 -6.168 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.073 -11.476 -7.502 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.745 -12.354 -5.529 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.019 -12.786 -7.662 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.821 -13.342 -6.480 1.00 0.00 N ATOM 0 H HIS A 30 5.277 -9.549 -3.600 1.00 0.00 H new ATOM 0 HA HIS A 30 5.937 -9.689 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.525 -9.768 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.234 -9.160 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.589 -12.495 -4.470 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.120 -13.313 -8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.738 -14.343 -6.302 1.00 0.00 H new ATOM 478 N ILE A 31 4.753 -6.799 -5.253 1.00 0.00 N ATOM 479 CA ILE A 31 4.635 -5.385 -5.582 1.00 0.00 C ATOM 480 C ILE A 31 5.982 -4.839 -6.033 1.00 0.00 C ATOM 481 O ILE A 31 6.088 -4.204 -7.083 1.00 0.00 O ATOM 482 CB ILE A 31 4.131 -4.560 -4.380 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.709 -4.977 -4.000 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.184 -3.071 -4.697 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.259 -4.441 -2.658 1.00 0.00 C ATOM 0 H ILE A 31 4.463 -7.038 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 31 3.907 -5.297 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 31 4.784 -4.756 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.020 -4.631 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.650 -6.065 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.825 -2.503 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.211 -2.783 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.553 -2.860 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.242 -4.777 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.925 -4.808 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.285 -3.351 -2.674 1.00 0.00 H new ATOM 497 N GLU A 32 7.010 -5.092 -5.226 1.00 0.00 N ATOM 498 CA GLU A 32 8.360 -4.639 -5.539 1.00 0.00 C ATOM 499 C GLU A 32 8.774 -5.101 -6.931 1.00 0.00 C ATOM 500 O GLU A 32 9.339 -4.331 -7.709 1.00 0.00 O ATOM 501 CB GLU A 32 9.351 -5.164 -4.498 1.00 0.00 C ATOM 502 CG GLU A 32 9.725 -4.136 -3.443 1.00 0.00 C ATOM 503 CD GLU A 32 8.565 -3.788 -2.529 1.00 0.00 C ATOM 504 OE1 GLU A 32 7.761 -2.907 -2.899 1.00 0.00 O ATOM 505 OE2 GLU A 32 8.460 -4.398 -1.445 1.00 0.00 O ATOM 0 H GLU A 32 6.932 -5.609 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 32 8.368 -3.549 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.921 -6.037 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.256 -5.497 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.552 -4.519 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.080 -3.230 -3.934 1.00 0.00 H new ATOM 512 N GLN A 33 8.489 -6.363 -7.238 1.00 0.00 N ATOM 513 CA GLN A 33 8.822 -6.926 -8.539 1.00 0.00 C ATOM 514 C GLN A 33 8.122 -6.149 -9.646 1.00 0.00 C ATOM 515 O GLN A 33 8.729 -5.813 -10.664 1.00 0.00 O ATOM 516 CB GLN A 33 8.421 -8.402 -8.601 1.00 0.00 C ATOM 517 CG GLN A 33 9.290 -9.304 -7.741 1.00 0.00 C ATOM 518 CD GLN A 33 10.383 -9.992 -8.535 1.00 0.00 C ATOM 519 OE1 GLN A 33 10.136 -10.978 -9.229 1.00 0.00 O ATOM 520 NE2 GLN A 33 11.602 -9.473 -8.438 1.00 0.00 N ATOM 0 H GLN A 33 8.028 -7.014 -6.602 1.00 0.00 H new ATOM 0 HA GLN A 33 9.900 -6.850 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.383 -8.502 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.472 -8.741 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.742 -8.714 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.664 -10.058 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.763 -8.654 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.377 -9.893 -8.951 1.00 0.00 H new ATOM 529 N PHE A 34 6.837 -5.874 -9.445 1.00 0.00 N ATOM 530 CA PHE A 34 6.054 -5.124 -10.420 1.00 0.00 C ATOM 531 C PHE A 34 6.703 -3.773 -10.705 1.00 0.00 C ATOM 532 O PHE A 34 6.613 -3.253 -11.817 1.00 0.00 O ATOM 533 CB PHE A 34 4.623 -4.919 -9.916 1.00 0.00 C ATOM 534 CG PHE A 34 3.817 -6.187 -9.841 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.843 -7.109 -10.876 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.029 -6.455 -8.732 1.00 0.00 C ATOM 537 CE1 PHE A 34 3.100 -8.272 -10.806 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.284 -7.617 -8.656 1.00 0.00 C ATOM 539 CZ PHE A 34 2.321 -8.527 -9.695 1.00 0.00 C ATOM 0 H PHE A 34 6.316 -6.159 -8.616 1.00 0.00 H new ATOM 0 HA PHE A 34 6.022 -5.700 -11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.658 -4.463 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.114 -4.214 -10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.451 -6.916 -11.747 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.997 -5.747 -7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.129 -8.981 -11.620 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.674 -7.813 -7.786 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.741 -9.437 -9.638 1.00 0.00 H new ATOM 549 N LEU A 35 7.358 -3.209 -9.693 1.00 0.00 N ATOM 550 CA LEU A 35 8.025 -1.918 -9.838 1.00 0.00 C ATOM 551 C LEU A 35 9.401 -2.084 -10.478 1.00 0.00 C ATOM 552 O LEU A 35 9.976 -1.125 -10.994 1.00 0.00 O ATOM 553 CB LEU A 35 8.164 -1.237 -8.475 1.00 0.00 C ATOM 554 CG LEU A 35 6.846 -0.970 -7.746 1.00 0.00 C ATOM 555 CD1 LEU A 35 6.995 -1.243 -6.256 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.387 0.460 -7.984 1.00 0.00 C ATOM 0 H LEU A 35 7.441 -3.625 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 35 7.414 -1.293 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.794 -1.858 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.685 -0.289 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 35 6.089 -1.645 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.048 -1.048 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.279 -2.284 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.766 -0.593 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.448 0.633 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.143 1.151 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.240 0.622 -9.052 1.00 0.00 H new ATOM 568 N ASP A 36 9.920 -3.306 -10.439 1.00 0.00 N ATOM 569 CA ASP A 36 11.230 -3.601 -11.010 1.00 0.00 C ATOM 570 C ASP A 36 11.239 -3.329 -12.511 1.00 0.00 C ATOM 571 O ASP A 36 12.135 -2.658 -13.024 1.00 0.00 O ATOM 572 CB ASP A 36 11.618 -5.056 -10.740 1.00 0.00 C ATOM 573 CG ASP A 36 13.059 -5.348 -11.111 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.940 -5.183 -10.241 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.306 -5.741 -12.270 1.00 0.00 O ATOM 0 H ASP A 36 9.454 -4.109 -10.018 1.00 0.00 H new ATOM 0 HA ASP A 36 11.961 -2.948 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.465 -5.280 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.959 -5.716 -11.305 1.00 0.00 H new ATOM 580 N THR A 37 10.240 -3.862 -13.210 1.00 0.00 N ATOM 581 CA THR A 37 10.125 -3.675 -14.653 1.00 0.00 C ATOM 582 C THR A 37 10.255 -2.202 -15.031 1.00 0.00 C ATOM 583 O THR A 37 11.163 -1.831 -15.774 1.00 0.00 O ATOM 584 CB THR A 37 8.783 -4.212 -15.183 1.00 0.00 C ATOM 585 OG1 THR A 37 7.780 -4.111 -14.167 1.00 0.00 O ATOM 586 CG2 THR A 37 8.918 -5.661 -15.626 1.00 0.00 C ATOM 0 H THR A 37 9.497 -4.428 -12.799 1.00 0.00 H new ATOM 0 HA THR A 37 10.940 -4.237 -15.110 1.00 0.00 H new ATOM 0 HB THR A 37 8.490 -3.611 -16.044 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.902 -4.310 -14.554 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.958 -6.019 -15.997 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.662 -5.731 -16.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.231 -6.273 -14.780 1.00 0.00 H new ATOM 594 N ASN A 38 9.319 -1.385 -14.529 1.00 0.00 N ATOM 595 CA ASN A 38 9.295 0.064 -14.776 1.00 0.00 C ATOM 596 C ASN A 38 8.433 0.392 -15.992 1.00 0.00 C ATOM 597 O ASN A 38 8.911 0.961 -16.973 1.00 0.00 O ATOM 598 CB ASN A 38 10.703 0.645 -14.955 1.00 0.00 C ATOM 599 CG ASN A 38 11.622 0.313 -13.795 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.291 0.559 -12.635 1.00 0.00 O ATOM 601 ND2 ASN A 38 12.787 -0.247 -14.105 1.00 0.00 N ATOM 0 H ASN A 38 8.554 -1.711 -13.938 1.00 0.00 H new ATOM 0 HA ASN A 38 8.857 0.528 -13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.136 0.261 -15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.635 1.728 -15.061 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.448 -0.491 -13.367 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.020 -0.433 -15.080 1.00 0.00 H new ATOM 608 N GLU A 39 7.157 0.025 -15.914 1.00 0.00 N ATOM 609 CA GLU A 39 6.214 0.281 -16.997 1.00 0.00 C ATOM 610 C GLU A 39 4.931 0.905 -16.456 1.00 0.00 C ATOM 611 O GLU A 39 4.661 0.846 -15.256 1.00 0.00 O ATOM 612 CB GLU A 39 5.889 -1.018 -17.739 1.00 0.00 C ATOM 613 CG GLU A 39 7.114 -1.723 -18.297 1.00 0.00 C ATOM 614 CD GLU A 39 6.755 -2.837 -19.261 1.00 0.00 C ATOM 615 OE1 GLU A 39 6.272 -2.527 -20.371 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.957 -4.017 -18.908 1.00 0.00 O ATOM 0 H GLU A 39 6.752 -0.452 -15.109 1.00 0.00 H new ATOM 0 HA GLU A 39 6.676 0.980 -17.693 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.369 -1.694 -17.060 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.203 -0.798 -18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.747 -0.996 -18.806 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.699 -2.134 -17.474 1.00 0.00 H new ATOM 623 N THR A 40 4.145 1.500 -17.346 1.00 0.00 N ATOM 624 CA THR A 40 2.893 2.140 -16.953 1.00 0.00 C ATOM 625 C THR A 40 1.845 1.117 -16.502 1.00 0.00 C ATOM 626 O THR A 40 1.236 1.284 -15.444 1.00 0.00 O ATOM 627 CB THR A 40 2.313 2.996 -18.097 1.00 0.00 C ATOM 628 OG1 THR A 40 3.317 3.882 -18.605 1.00 0.00 O ATOM 629 CG2 THR A 40 1.116 3.802 -17.616 1.00 0.00 C ATOM 0 H THR A 40 4.351 1.553 -18.344 1.00 0.00 H new ATOM 0 HA THR A 40 3.131 2.788 -16.110 1.00 0.00 H new ATOM 0 HB THR A 40 1.985 2.326 -18.892 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.941 4.420 -19.332 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.724 4.398 -18.440 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.341 3.124 -17.257 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.424 4.462 -16.805 1.00 0.00 H new ATOM 637 N PRO A 41 1.612 0.043 -17.288 1.00 0.00 N ATOM 638 CA PRO A 41 0.624 -0.986 -16.937 1.00 0.00 C ATOM 639 C PRO A 41 1.035 -1.791 -15.708 1.00 0.00 C ATOM 640 O PRO A 41 0.249 -2.573 -15.174 1.00 0.00 O ATOM 641 CB PRO A 41 0.576 -1.895 -18.174 1.00 0.00 C ATOM 642 CG PRO A 41 1.271 -1.137 -19.255 1.00 0.00 C ATOM 643 CD PRO A 41 2.276 -0.264 -18.564 1.00 0.00 C ATOM 0 HA PRO A 41 -0.339 -0.543 -16.684 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.072 -2.846 -17.981 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.453 -2.123 -18.454 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.759 -1.815 -19.956 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.564 -0.539 -19.830 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.225 -0.779 -18.413 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.491 0.638 -19.137 1.00 0.00 H new ATOM 651 N TYR A 42 2.273 -1.593 -15.266 1.00 0.00 N ATOM 652 CA TYR A 42 2.792 -2.305 -14.104 1.00 0.00 C ATOM 653 C TYR A 42 2.452 -1.569 -12.810 1.00 0.00 C ATOM 654 O TYR A 42 2.357 -2.179 -11.746 1.00 0.00 O ATOM 655 CB TYR A 42 4.305 -2.490 -14.224 1.00 0.00 C ATOM 656 CG TYR A 42 4.705 -3.874 -14.686 1.00 0.00 C ATOM 657 CD1 TYR A 42 4.850 -4.915 -13.777 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.935 -4.139 -16.030 1.00 0.00 C ATOM 659 CE1 TYR A 42 5.213 -6.181 -14.195 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.299 -5.403 -16.455 1.00 0.00 C ATOM 661 CZ TYR A 42 5.437 -6.420 -15.535 1.00 0.00 C ATOM 662 OH TYR A 42 5.799 -7.678 -15.955 1.00 0.00 O ATOM 0 H TYR A 42 2.935 -0.946 -15.695 1.00 0.00 H new ATOM 0 HA TYR A 42 2.317 -3.286 -14.072 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.700 -1.753 -14.924 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.766 -2.290 -13.257 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.676 -4.732 -12.727 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.828 -3.345 -16.754 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.321 -6.980 -13.476 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.475 -5.593 -17.504 1.00 0.00 H new ATOM 0 HH TYR A 42 5.917 -7.677 -16.928 1.00 0.00 H new ATOM 672 N PHE A 43 2.269 -0.255 -12.909 1.00 0.00 N ATOM 673 CA PHE A 43 1.940 0.558 -11.743 1.00 0.00 C ATOM 674 C PHE A 43 0.493 0.331 -11.316 1.00 0.00 C ATOM 675 O PHE A 43 0.134 0.548 -10.159 1.00 0.00 O ATOM 676 CB PHE A 43 2.170 2.042 -12.041 1.00 0.00 C ATOM 677 CG PHE A 43 3.617 2.447 -12.006 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.372 2.274 -10.857 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.220 3.003 -13.122 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.703 2.646 -10.824 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.550 3.379 -13.094 1.00 0.00 C ATOM 682 CZ PHE A 43 6.292 3.200 -11.944 1.00 0.00 C ATOM 0 H PHE A 43 2.343 0.268 -13.782 1.00 0.00 H new ATOM 0 HA PHE A 43 2.595 0.257 -10.926 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.760 2.274 -13.024 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.617 2.639 -11.316 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.916 1.844 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.644 3.144 -14.025 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.282 2.504 -9.923 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.008 3.812 -13.971 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.331 3.493 -11.920 1.00 0.00 H new ATOM 692 N MET A 44 -0.334 -0.112 -12.259 1.00 0.00 N ATOM 693 CA MET A 44 -1.740 -0.373 -11.981 1.00 0.00 C ATOM 694 C MET A 44 -1.889 -1.554 -11.029 1.00 0.00 C ATOM 695 O MET A 44 -2.778 -1.572 -10.176 1.00 0.00 O ATOM 696 CB MET A 44 -2.498 -0.651 -13.281 1.00 0.00 C ATOM 697 CG MET A 44 -3.738 0.209 -13.459 1.00 0.00 C ATOM 698 SD MET A 44 -5.240 -0.613 -12.894 1.00 0.00 S ATOM 699 CE MET A 44 -6.229 0.795 -12.395 1.00 0.00 C ATOM 0 H MET A 44 -0.053 -0.297 -13.222 1.00 0.00 H new ATOM 0 HA MET A 44 -2.164 0.513 -11.507 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.828 -0.486 -14.125 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.788 -1.701 -13.305 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.610 1.142 -12.910 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.846 0.471 -14.512 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.192 0.449 -12.021 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.710 1.344 -11.609 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.387 1.451 -13.251 1.00 0.00 H new ATOM 709 N LYS A 45 -1.010 -2.539 -11.182 1.00 0.00 N ATOM 710 CA LYS A 45 -1.034 -3.727 -10.338 1.00 0.00 C ATOM 711 C LYS A 45 -0.572 -3.392 -8.924 1.00 0.00 C ATOM 712 O LYS A 45 -1.057 -3.969 -7.948 1.00 0.00 O ATOM 713 CB LYS A 45 -0.146 -4.820 -10.935 1.00 0.00 C ATOM 714 CG LYS A 45 -0.569 -6.227 -10.545 1.00 0.00 C ATOM 715 CD LYS A 45 -0.485 -7.181 -11.725 1.00 0.00 C ATOM 716 CE LYS A 45 -1.200 -8.490 -11.434 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.211 -8.816 -12.479 1.00 0.00 N ATOM 0 H LYS A 45 -0.271 -2.537 -11.885 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.060 -4.092 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.158 -4.734 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.883 -4.657 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.067 -6.589 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.590 -6.208 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.925 -6.712 -12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.561 -7.380 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.469 -9.297 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.690 -8.428 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.676 -9.716 -12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.923 -8.059 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.741 -8.901 -13.403 1.00 0.00 H new ATOM 731 N SER A 46 0.366 -2.454 -8.819 1.00 0.00 N ATOM 732 CA SER A 46 0.891 -2.041 -7.523 1.00 0.00 C ATOM 733 C SER A 46 -0.191 -1.338 -6.711 1.00 0.00 C ATOM 734 O SER A 46 -0.422 -1.670 -5.548 1.00 0.00 O ATOM 735 CB SER A 46 2.094 -1.116 -7.707 1.00 0.00 C ATOM 736 OG SER A 46 3.090 -1.728 -8.508 1.00 0.00 O ATOM 0 H SER A 46 0.777 -1.967 -9.615 1.00 0.00 H new ATOM 0 HA SER A 46 1.212 -2.931 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.772 -0.184 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.512 -0.860 -6.734 1.00 0.00 H new ATOM 0 HG SER A 46 2.765 -1.809 -9.429 1.00 0.00 H new ATOM 742 N ILE A 47 -0.846 -0.360 -7.331 1.00 0.00 N ATOM 743 CA ILE A 47 -1.912 0.380 -6.670 1.00 0.00 C ATOM 744 C ILE A 47 -3.019 -0.566 -6.221 1.00 0.00 C ATOM 745 O ILE A 47 -3.532 -0.453 -5.107 1.00 0.00 O ATOM 746 CB ILE A 47 -2.513 1.457 -7.594 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.409 2.352 -8.158 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.543 2.288 -6.842 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.754 2.963 -9.499 1.00 0.00 C ATOM 0 H ILE A 47 -0.656 -0.063 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.472 0.872 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.013 0.961 -8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.201 3.151 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.494 1.768 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.958 3.044 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.344 1.640 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.066 2.776 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.926 3.585 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.934 2.170 -10.225 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.651 3.574 -9.400 1.00 0.00 H new ATOM 761 N ASP A 48 -3.382 -1.498 -7.098 1.00 0.00 N ATOM 762 CA ASP A 48 -4.425 -2.472 -6.790 1.00 0.00 C ATOM 763 C ASP A 48 -4.005 -3.343 -5.611 1.00 0.00 C ATOM 764 O ASP A 48 -4.845 -3.890 -4.896 1.00 0.00 O ATOM 765 CB ASP A 48 -4.715 -3.347 -8.010 1.00 0.00 C ATOM 766 CG ASP A 48 -5.865 -2.815 -8.841 1.00 0.00 C ATOM 767 OD1 ASP A 48 -5.618 -1.963 -9.722 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.014 -3.251 -8.614 1.00 0.00 O ATOM 0 H ASP A 48 -2.970 -1.599 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.333 -1.932 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.821 -3.410 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.946 -4.360 -7.681 1.00 0.00 H new ATOM 773 N CYS A 49 -2.696 -3.462 -5.416 1.00 0.00 N ATOM 774 CA CYS A 49 -2.153 -4.257 -4.324 1.00 0.00 C ATOM 775 C CYS A 49 -2.194 -3.467 -3.022 1.00 0.00 C ATOM 776 O CYS A 49 -2.487 -4.016 -1.958 1.00 0.00 O ATOM 777 CB CYS A 49 -0.718 -4.684 -4.635 1.00 0.00 C ATOM 778 SG CYS A 49 -0.594 -6.207 -5.602 1.00 0.00 S ATOM 0 H CYS A 49 -1.991 -3.016 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.766 -5.151 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.221 -3.880 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.178 -4.817 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.726 -5.931 -6.865 1.00 0.00 H new ATOM 784 N ILE A 50 -1.893 -2.174 -3.112 1.00 0.00 N ATOM 785 CA ILE A 50 -1.904 -1.304 -1.944 1.00 0.00 C ATOM 786 C ILE A 50 -3.336 -1.023 -1.496 1.00 0.00 C ATOM 787 O ILE A 50 -3.589 -0.761 -0.321 1.00 0.00 O ATOM 788 CB ILE A 50 -1.172 0.031 -2.235 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.129 0.315 -1.151 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.153 1.192 -2.348 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.001 1.207 -1.621 1.00 0.00 C ATOM 0 H ILE A 50 -1.639 -1.708 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.376 -1.820 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.665 -0.069 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.621 0.783 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.286 -0.630 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.606 2.112 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.854 0.999 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.702 1.297 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.703 1.367 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.518 0.731 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.597 2.166 -1.945 1.00 0.00 H new ATOM 803 N ARG A 51 -4.269 -1.085 -2.443 1.00 0.00 N ATOM 804 CA ARG A 51 -5.677 -0.833 -2.152 1.00 0.00 C ATOM 805 C ARG A 51 -6.317 -2.035 -1.466 1.00 0.00 C ATOM 806 O ARG A 51 -7.233 -1.885 -0.655 1.00 0.00 O ATOM 807 CB ARG A 51 -6.434 -0.504 -3.440 1.00 0.00 C ATOM 808 CG ARG A 51 -6.145 0.889 -3.976 1.00 0.00 C ATOM 809 CD ARG A 51 -7.385 1.517 -4.593 1.00 0.00 C ATOM 810 NE ARG A 51 -8.319 1.998 -3.578 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.227 2.942 -3.800 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.326 3.504 -4.997 1.00 0.00 N ATOM 813 NH2 ARG A 51 -10.040 3.325 -2.825 1.00 0.00 N ATOM 0 H ARG A 51 -4.075 -1.308 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.734 0.020 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.174 -1.239 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.504 -0.599 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.779 1.522 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.353 0.836 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.090 2.346 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.885 0.785 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.271 1.586 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.704 3.212 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.024 4.228 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.969 2.895 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.737 4.050 -2.997 1.00 0.00 H new ATOM 827 N ALA A 52 -5.824 -3.226 -1.789 1.00 0.00 N ATOM 828 CA ALA A 52 -6.348 -4.453 -1.206 1.00 0.00 C ATOM 829 C ALA A 52 -5.749 -4.689 0.174 1.00 0.00 C ATOM 830 O ALA A 52 -6.407 -5.216 1.070 1.00 0.00 O ATOM 831 CB ALA A 52 -6.067 -5.637 -2.118 1.00 0.00 C ATOM 0 H ALA A 52 -5.062 -3.366 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.428 -4.348 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.465 -6.546 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.543 -5.473 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.991 -5.742 -2.257 1.00 0.00 H new ATOM 837 N PHE A 53 -4.489 -4.299 0.332 1.00 0.00 N ATOM 838 CA PHE A 53 -3.797 -4.455 1.604 1.00 0.00 C ATOM 839 C PHE A 53 -4.221 -3.370 2.589 1.00 0.00 C ATOM 840 O PHE A 53 -4.541 -3.658 3.744 1.00 0.00 O ATOM 841 CB PHE A 53 -2.283 -4.409 1.391 1.00 0.00 C ATOM 842 CG PHE A 53 -1.503 -5.166 2.431 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.566 -4.802 3.768 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.707 -6.240 2.070 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.849 -5.496 4.722 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.012 -6.938 3.022 1.00 0.00 C ATOM 847 CZ PHE A 53 -0.059 -6.565 4.349 1.00 0.00 C ATOM 0 H PHE A 53 -3.927 -3.873 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.067 -5.424 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.051 -4.817 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.956 -3.369 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.183 -3.967 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.647 -6.536 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.906 -5.203 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.629 -7.774 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.503 -7.109 5.094 1.00 0.00 H new ATOM 857 N ARG A 54 -4.213 -2.120 2.129 1.00 0.00 N ATOM 858 CA ARG A 54 -4.597 -0.991 2.973 1.00 0.00 C ATOM 859 C ARG A 54 -5.950 -1.225 3.637 1.00 0.00 C ATOM 860 O ARG A 54 -6.122 -0.937 4.819 1.00 0.00 O ATOM 861 CB ARG A 54 -4.641 0.300 2.154 1.00 0.00 C ATOM 862 CG ARG A 54 -4.596 1.562 3.001 1.00 0.00 C ATOM 863 CD ARG A 54 -5.992 2.100 3.275 1.00 0.00 C ATOM 864 NE ARG A 54 -6.362 3.163 2.345 1.00 0.00 N ATOM 865 CZ ARG A 54 -7.608 3.598 2.180 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.599 3.062 2.879 1.00 0.00 N ATOM 867 NH2 ARG A 54 -7.864 4.570 1.315 1.00 0.00 N ATOM 0 H ARG A 54 -3.945 -1.864 1.179 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.844 -0.896 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.801 0.309 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.551 0.308 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.095 1.350 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.005 2.323 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.714 1.287 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.040 2.479 4.296 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.623 3.596 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.407 2.314 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.554 3.398 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.105 4.985 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.820 4.902 1.190 1.00 0.00 H new ATOM 881 N GLU A 55 -6.906 -1.748 2.874 1.00 0.00 N ATOM 882 CA GLU A 55 -8.243 -2.005 3.403 1.00 0.00 C ATOM 883 C GLU A 55 -8.229 -3.136 4.429 1.00 0.00 C ATOM 884 O GLU A 55 -8.816 -3.017 5.506 1.00 0.00 O ATOM 885 CB GLU A 55 -9.214 -2.337 2.265 1.00 0.00 C ATOM 886 CG GLU A 55 -8.775 -3.513 1.409 1.00 0.00 C ATOM 887 CD GLU A 55 -9.665 -3.716 0.199 1.00 0.00 C ATOM 888 OE1 GLU A 55 -9.941 -2.725 -0.510 1.00 0.00 O ATOM 889 OE2 GLU A 55 -10.086 -4.868 -0.042 1.00 0.00 O ATOM 0 H GLU A 55 -6.782 -2.001 1.894 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.580 -1.098 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.195 -2.554 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.328 -1.459 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.749 -3.354 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.778 -4.420 2.014 1.00 0.00 H new ATOM 896 N GLU A 56 -7.553 -4.230 4.093 1.00 0.00 N ATOM 897 CA GLU A 56 -7.468 -5.382 4.984 1.00 0.00 C ATOM 898 C GLU A 56 -6.726 -5.030 6.269 1.00 0.00 C ATOM 899 O GLU A 56 -6.953 -5.640 7.317 1.00 0.00 O ATOM 900 CB GLU A 56 -6.767 -6.548 4.284 1.00 0.00 C ATOM 901 CG GLU A 56 -7.653 -7.280 3.290 1.00 0.00 C ATOM 902 CD GLU A 56 -7.982 -8.693 3.732 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.052 -9.418 4.141 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.170 -9.073 3.670 1.00 0.00 O ATOM 0 H GLU A 56 -7.056 -4.343 3.210 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.485 -5.678 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.885 -6.172 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.417 -7.255 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.579 -6.721 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.155 -7.313 2.321 1.00 0.00 H new ATOM 911 N ALA A 57 -5.847 -4.036 6.186 1.00 0.00 N ATOM 912 CA ALA A 57 -5.066 -3.608 7.341 1.00 0.00 C ATOM 913 C ALA A 57 -5.847 -2.620 8.198 1.00 0.00 C ATOM 914 O ALA A 57 -6.046 -2.843 9.394 1.00 0.00 O ATOM 915 CB ALA A 57 -3.752 -2.992 6.886 1.00 0.00 C ATOM 0 H ALA A 57 -5.658 -3.512 5.331 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.853 -4.486 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.177 -2.676 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.181 -3.729 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.955 -2.128 6.253 1.00 0.00 H new ATOM 921 N ILE A 58 -6.289 -1.527 7.579 1.00 0.00 N ATOM 922 CA ILE A 58 -7.047 -0.507 8.296 1.00 0.00 C ATOM 923 C ILE A 58 -8.272 -1.117 8.958 1.00 0.00 C ATOM 924 O ILE A 58 -8.606 -0.782 10.096 1.00 0.00 O ATOM 925 CB ILE A 58 -7.488 0.646 7.369 1.00 0.00 C ATOM 926 CG1 ILE A 58 -8.411 0.133 6.262 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.274 1.338 6.772 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.829 0.651 6.368 1.00 0.00 C ATOM 0 H ILE A 58 -6.136 -1.327 6.591 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.383 -0.097 9.057 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.044 1.370 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.999 0.421 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.428 -0.957 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.601 2.149 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.656 1.743 7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.693 0.619 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.426 0.246 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.259 0.341 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.824 1.739 6.309 1.00 0.00 H new ATOM 940 N LYS A 59 -8.943 -2.009 8.236 1.00 0.00 N ATOM 941 CA LYS A 59 -10.126 -2.677 8.756 1.00 0.00 C ATOM 942 C LYS A 59 -9.850 -3.268 10.131 1.00 0.00 C ATOM 943 O LYS A 59 -10.546 -2.952 11.096 1.00 0.00 O ATOM 944 CB LYS A 59 -10.587 -3.777 7.798 1.00 0.00 C ATOM 945 CG LYS A 59 -11.665 -3.325 6.827 1.00 0.00 C ATOM 946 CD LYS A 59 -13.041 -3.804 7.261 1.00 0.00 C ATOM 947 CE LYS A 59 -14.124 -3.328 6.306 1.00 0.00 C ATOM 948 NZ LYS A 59 -15.487 -3.666 6.799 1.00 0.00 N ATOM 0 H LYS A 59 -8.685 -2.285 7.288 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.919 -1.935 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.728 -4.138 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.963 -4.619 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.662 -2.237 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.443 -3.708 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.050 -4.893 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.254 -3.439 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.043 -2.249 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.969 -3.781 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.196 -3.324 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.573 -4.697 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.645 -3.213 7.722 1.00 0.00 H new ATOM 962 N PHE A 60 -8.827 -4.122 10.221 1.00 0.00 N ATOM 963 CA PHE A 60 -8.478 -4.752 11.494 1.00 0.00 C ATOM 964 C PHE A 60 -7.268 -5.667 11.347 1.00 0.00 C ATOM 965 O PHE A 60 -7.406 -6.889 11.290 1.00 0.00 O ATOM 966 CB PHE A 60 -9.663 -5.553 12.056 1.00 0.00 C ATOM 967 CG PHE A 60 -10.583 -6.124 11.009 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.090 -6.905 9.974 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.946 -5.879 11.066 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.938 -7.428 9.018 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.799 -6.399 10.112 1.00 0.00 C ATOM 972 CZ PHE A 60 -12.295 -7.175 9.086 1.00 0.00 C ATOM 0 H PHE A 60 -8.233 -4.390 9.436 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.228 -3.952 12.190 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.277 -6.369 12.666 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.241 -4.907 12.717 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.031 -7.106 9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.346 -5.274 11.866 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.541 -8.035 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.859 -6.199 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.960 -7.583 8.339 1.00 0.00 H new ATOM 982 N SER A 61 -6.081 -5.075 11.293 1.00 0.00 N ATOM 983 CA SER A 61 -4.859 -5.855 11.160 1.00 0.00 C ATOM 984 C SER A 61 -3.642 -5.068 11.629 1.00 0.00 C ATOM 985 O SER A 61 -3.381 -4.974 12.828 1.00 0.00 O ATOM 986 CB SER A 61 -4.676 -6.316 9.712 1.00 0.00 C ATOM 987 OG SER A 61 -5.014 -7.684 9.565 1.00 0.00 O ATOM 0 H SER A 61 -5.940 -4.066 11.339 1.00 0.00 H new ATOM 0 HA SER A 61 -4.951 -6.733 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.299 -5.711 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.642 -6.159 9.405 1.00 0.00 H new ATOM 0 HG SER A 61 -5.839 -7.872 10.059 1.00 0.00 H new ATOM 993 N GLU A 62 -2.899 -4.505 10.684 1.00 0.00 N ATOM 994 CA GLU A 62 -1.703 -3.741 11.017 1.00 0.00 C ATOM 995 C GLU A 62 -1.690 -2.400 10.295 1.00 0.00 C ATOM 996 O GLU A 62 -0.828 -2.142 9.455 1.00 0.00 O ATOM 997 CB GLU A 62 -0.450 -4.542 10.661 1.00 0.00 C ATOM 998 CG GLU A 62 -0.406 -5.919 11.301 1.00 0.00 C ATOM 999 CD GLU A 62 1.010 -6.421 11.508 1.00 0.00 C ATOM 1000 OE1 GLU A 62 1.801 -5.711 12.163 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.327 -7.524 11.016 1.00 0.00 O ATOM 0 H GLU A 62 -3.102 -4.562 9.686 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.712 -3.549 12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.395 -4.652 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.431 -3.979 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.920 -5.886 12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.950 -6.625 10.673 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.660 -1.556 10.622 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.762 -0.231 10.014 1.00 0.00 C ATOM 1010 C GLU A 63 -1.448 0.543 10.141 1.00 0.00 C ATOM 1011 O GLU A 63 -1.064 1.280 9.231 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.897 0.562 10.664 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.852 0.559 12.183 1.00 0.00 C ATOM 1014 CD GLU A 63 -5.112 1.129 12.804 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.161 2.359 13.025 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -6.049 0.348 13.071 1.00 0.00 O ATOM 0 H GLU A 63 -3.389 -1.763 11.305 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.976 -0.366 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.858 1.592 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.851 0.149 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.707 -0.462 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.992 1.138 12.519 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.761 0.368 11.267 1.00 0.00 N ATOM 1024 CA GLN A 64 0.505 1.057 11.511 1.00 0.00 C ATOM 1025 C GLN A 64 1.619 0.485 10.639 1.00 0.00 C ATOM 1026 O GLN A 64 2.612 1.158 10.360 1.00 0.00 O ATOM 1027 CB GLN A 64 0.894 0.951 12.988 1.00 0.00 C ATOM 1028 CG GLN A 64 0.080 1.856 13.898 1.00 0.00 C ATOM 1029 CD GLN A 64 0.853 3.083 14.341 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.791 2.988 15.133 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.461 4.245 13.832 1.00 0.00 N ATOM 0 H GLN A 64 -1.059 -0.245 12.026 1.00 0.00 H new ATOM 0 HA GLN A 64 0.370 2.107 11.251 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.773 -0.082 13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.950 1.197 13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.825 2.169 13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.236 1.293 14.776 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.322 4.278 13.179 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.942 5.105 14.094 1.00 0.00 H new ATOM 1040 N ARG A 65 1.451 -0.761 10.213 1.00 0.00 N ATOM 1041 CA ARG A 65 2.439 -1.409 9.362 1.00 0.00 C ATOM 1042 C ARG A 65 2.377 -0.815 7.961 1.00 0.00 C ATOM 1043 O ARG A 65 3.326 -0.918 7.179 1.00 0.00 O ATOM 1044 CB ARG A 65 2.195 -2.918 9.310 1.00 0.00 C ATOM 1045 CG ARG A 65 3.067 -3.647 8.300 1.00 0.00 C ATOM 1046 CD ARG A 65 2.723 -5.126 8.232 1.00 0.00 C ATOM 1047 NE ARG A 65 3.905 -5.950 7.984 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.552 -6.616 8.936 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.134 -6.556 10.193 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.619 -7.342 8.630 1.00 0.00 N ATOM 0 H ARG A 65 0.643 -1.340 10.442 1.00 0.00 H new ATOM 0 HA ARG A 65 3.431 -1.238 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.372 -3.339 10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.147 -3.099 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.939 -3.197 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.116 -3.528 8.571 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.256 -5.433 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.992 -5.293 7.441 1.00 0.00 H new ATOM 0 HE ARG A 65 4.253 -6.018 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.314 -5.998 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.632 -7.068 10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.944 -7.390 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.115 -7.853 9.360 1.00 0.00 H new ATOM 1064 N PHE A 66 1.250 -0.174 7.662 1.00 0.00 N ATOM 1065 CA PHE A 66 1.043 0.448 6.365 1.00 0.00 C ATOM 1066 C PHE A 66 1.587 1.870 6.361 1.00 0.00 C ATOM 1067 O PHE A 66 2.274 2.273 5.425 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.438 0.449 5.995 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.689 0.062 4.566 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.505 -1.246 4.150 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.096 1.006 3.639 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.728 -1.606 2.836 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.317 0.652 2.323 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.133 -0.656 1.920 1.00 0.00 C ATOM 0 H PHE A 66 0.465 -0.074 8.306 1.00 0.00 H new ATOM 0 HA PHE A 66 1.584 -0.135 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.970 -0.240 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.850 1.442 6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.184 -1.993 4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.242 2.030 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.586 -2.630 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.634 1.398 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.305 -0.935 0.891 1.00 0.00 H new ATOM 1084 N ASN A 67 1.286 2.626 7.418 1.00 0.00 N ATOM 1085 CA ASN A 67 1.772 3.996 7.521 1.00 0.00 C ATOM 1086 C ASN A 67 3.274 3.974 7.766 1.00 0.00 C ATOM 1087 O ASN A 67 3.976 4.963 7.548 1.00 0.00 O ATOM 1088 CB ASN A 67 1.056 4.773 8.634 1.00 0.00 C ATOM 1089 CG ASN A 67 0.734 3.934 9.845 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.632 3.506 10.567 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.555 3.717 10.086 1.00 0.00 N ATOM 0 H ASN A 67 0.715 2.315 8.204 1.00 0.00 H new ATOM 0 HA ASN A 67 1.557 4.511 6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.681 5.612 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.132 5.192 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.837 3.173 10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.262 4.094 9.455 1.00 0.00 H new ATOM 1098 N ASN A 68 3.752 2.819 8.219 1.00 0.00 N ATOM 1099 CA ASN A 68 5.174 2.631 8.471 1.00 0.00 C ATOM 1100 C ASN A 68 5.903 2.514 7.140 1.00 0.00 C ATOM 1101 O ASN A 68 6.812 3.291 6.841 1.00 0.00 O ATOM 1102 CB ASN A 68 5.413 1.378 9.316 1.00 0.00 C ATOM 1103 CG ASN A 68 6.877 1.177 9.652 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.660 0.721 8.818 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.256 1.517 10.878 1.00 0.00 N ATOM 0 H ASN A 68 3.176 2.001 8.418 1.00 0.00 H new ATOM 0 HA ASN A 68 5.556 3.489 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.838 1.451 10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.043 0.505 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.230 1.404 11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.574 1.891 11.537 1.00 0.00 H new ATOM 1112 N PHE A 69 5.494 1.529 6.345 1.00 0.00 N ATOM 1113 CA PHE A 69 6.079 1.319 5.025 1.00 0.00 C ATOM 1114 C PHE A 69 5.765 2.499 4.110 1.00 0.00 C ATOM 1115 O PHE A 69 6.524 2.804 3.191 1.00 0.00 O ATOM 1116 CB PHE A 69 5.550 0.022 4.408 1.00 0.00 C ATOM 1117 CG PHE A 69 6.524 -0.640 3.477 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.468 -1.531 3.962 1.00 0.00 C ATOM 1119 CD2 PHE A 69 6.497 -0.371 2.118 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.366 -2.144 3.108 1.00 0.00 C ATOM 1121 CE2 PHE A 69 7.394 -0.979 1.259 1.00 0.00 C ATOM 1122 CZ PHE A 69 8.329 -1.866 1.755 1.00 0.00 C ATOM 0 H PHE A 69 4.761 0.865 6.592 1.00 0.00 H new ATOM 0 HA PHE A 69 7.160 1.240 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.294 -0.673 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.629 0.236 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.503 -1.749 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.767 0.321 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.095 -2.839 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.363 -0.760 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.031 -2.342 1.086 1.00 0.00 H new ATOM 1132 N LEU A 70 4.635 3.151 4.371 1.00 0.00 N ATOM 1133 CA LEU A 70 4.217 4.306 3.582 1.00 0.00 C ATOM 1134 C LEU A 70 5.175 5.468 3.797 1.00 0.00 C ATOM 1135 O LEU A 70 5.611 6.112 2.843 1.00 0.00 O ATOM 1136 CB LEU A 70 2.796 4.734 3.953 1.00 0.00 C ATOM 1137 CG LEU A 70 1.684 4.147 3.079 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.328 4.652 3.542 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.907 4.493 1.615 1.00 0.00 C ATOM 0 H LEU A 70 3.993 2.899 5.122 1.00 0.00 H new ATOM 0 HA LEU A 70 4.232 4.019 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.608 4.451 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.738 5.821 3.904 1.00 0.00 H new ATOM 0 HG LEU A 70 1.707 3.062 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.453 4.227 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.162 4.353 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.301 5.739 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.105 4.065 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.913 5.576 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.863 4.086 1.286 1.00 0.00 H new ATOM 1151 N LYS A 71 5.491 5.738 5.060 1.00 0.00 N ATOM 1152 CA LYS A 71 6.407 6.816 5.405 1.00 0.00 C ATOM 1153 C LYS A 71 7.740 6.633 4.691 1.00 0.00 C ATOM 1154 O LYS A 71 8.321 7.593 4.182 1.00 0.00 O ATOM 1155 CB LYS A 71 6.629 6.863 6.918 1.00 0.00 C ATOM 1156 CG LYS A 71 5.628 7.737 7.655 1.00 0.00 C ATOM 1157 CD LYS A 71 5.981 7.867 9.127 1.00 0.00 C ATOM 1158 CE LYS A 71 4.994 8.761 9.860 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.331 8.894 11.305 1.00 0.00 N ATOM 0 H LYS A 71 5.125 5.224 5.861 1.00 0.00 H new ATOM 0 HA LYS A 71 5.963 7.758 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.575 5.850 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.635 7.231 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.601 8.726 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.629 7.312 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.991 6.880 9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.987 8.275 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.985 9.748 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.989 8.352 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.634 9.511 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.315 7.956 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.280 9.308 11.403 1.00 0.00 H new ATOM 1173 N ALA A 72 8.220 5.393 4.656 1.00 0.00 N ATOM 1174 CA ALA A 72 9.488 5.086 4.004 1.00 0.00 C ATOM 1175 C ALA A 72 9.349 5.110 2.484 1.00 0.00 C ATOM 1176 O ALA A 72 10.203 5.652 1.781 1.00 0.00 O ATOM 1177 CB ALA A 72 10.002 3.731 4.466 1.00 0.00 C ATOM 0 H ALA A 72 7.751 4.587 5.070 1.00 0.00 H new ATOM 0 HA ALA A 72 10.208 5.854 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.949 3.513 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.151 3.747 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.275 2.960 4.212 1.00 0.00 H new ATOM 1183 N LEU A 73 8.269 4.518 1.988 1.00 0.00 N ATOM 1184 CA LEU A 73 8.006 4.465 0.554 1.00 0.00 C ATOM 1185 C LEU A 73 7.955 5.867 -0.041 1.00 0.00 C ATOM 1186 O LEU A 73 8.593 6.145 -1.054 1.00 0.00 O ATOM 1187 CB LEU A 73 6.688 3.730 0.288 1.00 0.00 C ATOM 1188 CG LEU A 73 6.084 3.944 -1.102 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.755 3.039 -2.122 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.583 3.694 -1.071 1.00 0.00 C ATOM 0 H LEU A 73 7.557 4.065 2.561 1.00 0.00 H new ATOM 0 HA LEU A 73 8.820 3.921 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.852 2.662 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.959 4.045 1.034 1.00 0.00 H new ATOM 0 HG LEU A 73 6.257 4.979 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.312 3.206 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.821 3.263 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.614 1.998 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.168 3.850 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.391 2.669 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.114 4.384 -0.370 1.00 0.00 H new ATOM 1202 N GLN A 74 7.186 6.742 0.594 1.00 0.00 N ATOM 1203 CA GLN A 74 7.044 8.119 0.129 1.00 0.00 C ATOM 1204 C GLN A 74 8.404 8.802 0.016 1.00 0.00 C ATOM 1205 O GLN A 74 8.742 9.369 -1.025 1.00 0.00 O ATOM 1206 CB GLN A 74 6.142 8.908 1.079 1.00 0.00 C ATOM 1207 CG GLN A 74 5.574 10.177 0.464 1.00 0.00 C ATOM 1208 CD GLN A 74 6.472 11.379 0.674 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.821 11.717 1.805 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.851 12.034 -0.418 1.00 0.00 N ATOM 0 H GLN A 74 6.650 6.524 1.434 1.00 0.00 H new ATOM 0 HA GLN A 74 6.588 8.096 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.319 8.269 1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.709 9.169 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.424 10.023 -0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.595 10.380 0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.538 11.719 -1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.455 12.852 -0.338 1.00 0.00 H new ATOM 1219 N GLU A 75 9.182 8.739 1.091 1.00 0.00 N ATOM 1220 CA GLU A 75 10.502 9.358 1.117 1.00 0.00 C ATOM 1221 C GLU A 75 11.474 8.631 0.192 1.00 0.00 C ATOM 1222 O GLU A 75 12.445 9.216 -0.287 1.00 0.00 O ATOM 1223 CB GLU A 75 11.053 9.369 2.544 1.00 0.00 C ATOM 1224 CG GLU A 75 10.862 10.698 3.259 1.00 0.00 C ATOM 1225 CD GLU A 75 11.540 10.732 4.615 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.043 10.065 5.546 1.00 0.00 O ATOM 1227 OE2 GLU A 75 12.569 11.430 4.747 1.00 0.00 O ATOM 0 H GLU A 75 8.921 8.265 1.956 1.00 0.00 H new ATOM 0 HA GLU A 75 10.397 10.383 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.565 8.583 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.116 9.130 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.259 11.501 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.796 10.889 3.385 1.00 0.00 H new ATOM 1234 N LYS A 76 11.204 7.354 -0.060 1.00 0.00 N ATOM 1235 CA LYS A 76 12.062 6.549 -0.922 1.00 0.00 C ATOM 1236 C LYS A 76 11.857 6.902 -2.390 1.00 0.00 C ATOM 1237 O LYS A 76 12.813 7.214 -3.101 1.00 0.00 O ATOM 1238 CB LYS A 76 11.792 5.060 -0.702 1.00 0.00 C ATOM 1239 CG LYS A 76 12.704 4.422 0.333 1.00 0.00 C ATOM 1240 CD LYS A 76 12.510 2.915 0.394 1.00 0.00 C ATOM 1241 CE LYS A 76 13.529 2.259 1.311 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.324 0.787 1.407 1.00 0.00 N ATOM 0 H LYS A 76 10.399 6.855 0.320 1.00 0.00 H new ATOM 0 HA LYS A 76 13.097 6.768 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.756 4.930 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.908 4.534 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.743 4.647 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.503 4.856 1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.504 2.691 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.597 2.495 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.534 2.462 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.460 2.701 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.039 0.378 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.374 0.593 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.415 0.361 0.462 1.00 0.00 H new ATOM 1256 N VAL A 77 10.605 6.857 -2.839 1.00 0.00 N ATOM 1257 CA VAL A 77 10.291 7.171 -4.228 1.00 0.00 C ATOM 1258 C VAL A 77 10.641 8.620 -4.541 1.00 0.00 C ATOM 1259 O VAL A 77 10.948 8.965 -5.684 1.00 0.00 O ATOM 1260 CB VAL A 77 8.803 6.914 -4.559 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.326 5.617 -3.927 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.935 8.080 -4.113 1.00 0.00 C ATOM 0 H VAL A 77 9.799 6.608 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 77 10.894 6.508 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 77 8.712 6.821 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.276 5.457 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.919 4.786 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.440 5.676 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.893 7.873 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.034 8.216 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.254 8.988 -4.625 1.00 0.00 H new ATOM 1272 N GLU A 78 10.593 9.464 -3.516 1.00 0.00 N ATOM 1273 CA GLU A 78 10.917 10.875 -3.672 1.00 0.00 C ATOM 1274 C GLU A 78 12.392 11.043 -4.007 1.00 0.00 C ATOM 1275 O GLU A 78 12.750 11.722 -4.969 1.00 0.00 O ATOM 1276 CB GLU A 78 10.579 11.644 -2.394 1.00 0.00 C ATOM 1277 CG GLU A 78 9.360 12.543 -2.529 1.00 0.00 C ATOM 1278 CD GLU A 78 9.429 13.758 -1.625 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.493 13.577 -0.391 1.00 0.00 O ATOM 1280 OE2 GLU A 78 9.420 14.890 -2.151 1.00 0.00 O ATOM 0 H GLU A 78 10.332 9.194 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 78 10.321 11.278 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.408 10.932 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.438 12.251 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.267 12.870 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.463 11.970 -2.294 1.00 0.00 H new ATOM 1287 N ILE A 79 13.244 10.417 -3.201 1.00 0.00 N ATOM 1288 CA ILE A 79 14.685 10.489 -3.410 1.00 0.00 C ATOM 1289 C ILE A 79 15.180 9.322 -4.261 1.00 0.00 C ATOM 1290 O ILE A 79 16.096 8.598 -3.872 1.00 0.00 O ATOM 1291 CB ILE A 79 15.445 10.500 -2.069 1.00 0.00 C ATOM 1292 CG1 ILE A 79 14.795 11.491 -1.101 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.910 10.851 -2.290 1.00 0.00 C ATOM 1294 CD1 ILE A 79 14.730 10.991 0.324 1.00 0.00 C ATOM 0 H ILE A 79 12.961 9.855 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 79 14.883 11.422 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 79 15.394 9.503 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.353 12.427 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.785 11.713 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.432 10.854 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.366 10.112 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.983 11.838 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.257 11.745 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.147 10.071 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.739 10.796 0.687 1.00 0.00 H new ATOM 1306 N LYS A 80 14.560 9.137 -5.422 1.00 0.00 N ATOM 1307 CA LYS A 80 14.952 8.067 -6.323 1.00 0.00 C ATOM 1308 C LYS A 80 14.559 8.392 -7.765 1.00 0.00 C ATOM 1309 O LYS A 80 15.384 8.879 -8.539 1.00 0.00 O ATOM 1310 CB LYS A 80 14.318 6.752 -5.874 1.00 0.00 C ATOM 1311 CG LYS A 80 15.163 5.533 -6.197 1.00 0.00 C ATOM 1312 CD LYS A 80 14.558 4.265 -5.617 1.00 0.00 C ATOM 1313 CE LYS A 80 15.509 3.086 -5.745 1.00 0.00 C ATOM 1314 NZ LYS A 80 14.860 1.804 -5.357 1.00 0.00 N ATOM 0 H LYS A 80 13.788 9.713 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 80 16.037 7.966 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.144 6.790 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.344 6.646 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.257 5.431 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.169 5.671 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.314 4.424 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.624 4.038 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.864 3.016 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.383 3.255 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.542 1.025 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.543 1.861 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.041 1.629 -5.973 1.00 0.00 H new ATOM 1328 N GLN A 81 13.301 8.128 -8.119 1.00 0.00 N ATOM 1329 CA GLN A 81 12.815 8.395 -9.469 1.00 0.00 C ATOM 1330 C GLN A 81 11.328 8.077 -9.598 1.00 0.00 C ATOM 1331 O GLN A 81 10.602 8.761 -10.318 1.00 0.00 O ATOM 1332 CB GLN A 81 13.606 7.577 -10.491 1.00 0.00 C ATOM 1333 CG GLN A 81 14.470 8.424 -11.408 1.00 0.00 C ATOM 1334 CD GLN A 81 15.402 7.592 -12.267 1.00 0.00 C ATOM 1335 OE1 GLN A 81 16.243 6.854 -11.755 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.257 7.708 -13.582 1.00 0.00 N ATOM 0 H GLN A 81 12.603 7.731 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 81 12.957 9.457 -9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.240 6.866 -9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.910 6.995 -11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.828 9.025 -12.052 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.058 9.118 -10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.546 8.332 -13.964 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.856 7.173 -14.210 1.00 0.00 H new ATOM 1345 N LEU A 82 10.885 7.029 -8.907 1.00 0.00 N ATOM 1346 CA LEU A 82 9.482 6.617 -8.952 1.00 0.00 C ATOM 1347 C LEU A 82 8.581 7.560 -8.156 1.00 0.00 C ATOM 1348 O LEU A 82 7.627 7.121 -7.511 1.00 0.00 O ATOM 1349 CB LEU A 82 9.329 5.185 -8.426 1.00 0.00 C ATOM 1350 CG LEU A 82 10.356 4.755 -7.377 1.00 0.00 C ATOM 1351 CD1 LEU A 82 9.738 3.769 -6.399 1.00 0.00 C ATOM 1352 CD2 LEU A 82 11.578 4.145 -8.047 1.00 0.00 C ATOM 0 H LEU A 82 11.475 6.450 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 82 9.168 6.658 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.332 5.078 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.389 4.498 -9.270 1.00 0.00 H new ATOM 0 HG LEU A 82 10.672 5.638 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.483 3.474 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.893 4.238 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.394 2.887 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.298 3.845 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.277 3.272 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.035 4.880 -8.709 1.00 0.00 H new ATOM 1364 N ASN A 83 8.878 8.854 -8.206 1.00 0.00 N ATOM 1365 CA ASN A 83 8.079 9.848 -7.500 1.00 0.00 C ATOM 1366 C ASN A 83 6.664 9.896 -8.076 1.00 0.00 C ATOM 1367 O ASN A 83 5.745 10.438 -7.460 1.00 0.00 O ATOM 1368 CB ASN A 83 8.745 11.224 -7.599 1.00 0.00 C ATOM 1369 CG ASN A 83 7.747 12.366 -7.561 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.241 12.726 -6.498 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.458 12.939 -8.723 1.00 0.00 N ATOM 0 H ASN A 83 9.666 9.239 -8.728 1.00 0.00 H new ATOM 0 HA ASN A 83 8.014 9.567 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.453 11.339 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.318 11.279 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.792 13.711 -8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.902 12.607 -9.579 1.00 0.00 H new ATOM 1378 N HIS A 84 6.499 9.313 -9.260 1.00 0.00 N ATOM 1379 CA HIS A 84 5.201 9.284 -9.928 1.00 0.00 C ATOM 1380 C HIS A 84 4.205 8.430 -9.149 1.00 0.00 C ATOM 1381 O HIS A 84 3.001 8.690 -9.169 1.00 0.00 O ATOM 1382 CB HIS A 84 5.345 8.741 -11.352 1.00 0.00 C ATOM 1383 CG HIS A 84 6.636 9.118 -12.013 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.706 8.254 -12.121 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.026 10.273 -12.603 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.697 8.861 -12.748 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.310 10.086 -13.051 1.00 0.00 N ATOM 0 H HIS A 84 7.249 8.854 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 84 4.824 10.306 -9.971 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.264 7.654 -11.327 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.516 9.109 -11.957 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.437 11.173 -12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.660 8.429 -12.974 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.874 10.782 -13.539 1.00 0.00 H new ATOM 1396 N PHE A 85 4.713 7.408 -8.463 1.00 0.00 N ATOM 1397 CA PHE A 85 3.859 6.523 -7.678 1.00 0.00 C ATOM 1398 C PHE A 85 3.075 7.317 -6.644 1.00 0.00 C ATOM 1399 O PHE A 85 1.936 6.978 -6.318 1.00 0.00 O ATOM 1400 CB PHE A 85 4.689 5.440 -6.986 1.00 0.00 C ATOM 1401 CG PHE A 85 3.871 4.267 -6.522 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.399 3.333 -7.431 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.571 4.099 -5.178 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.645 2.255 -7.010 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.816 3.021 -4.751 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.353 2.099 -5.669 1.00 0.00 C ATOM 0 H PHE A 85 5.705 7.174 -8.435 1.00 0.00 H new ATOM 0 HA PHE A 85 3.157 6.041 -8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.459 5.088 -7.673 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.202 5.877 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.623 3.450 -8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.931 4.818 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.284 1.534 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.589 2.901 -3.702 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.763 1.257 -5.339 1.00 0.00 H new ATOM 1416 N TRP A 86 3.691 8.378 -6.131 1.00 0.00 N ATOM 1417 CA TRP A 86 3.046 9.225 -5.140 1.00 0.00 C ATOM 1418 C TRP A 86 2.034 10.145 -5.808 1.00 0.00 C ATOM 1419 O TRP A 86 0.912 10.296 -5.327 1.00 0.00 O ATOM 1420 CB TRP A 86 4.084 10.047 -4.379 1.00 0.00 C ATOM 1421 CG TRP A 86 3.509 10.752 -3.194 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.362 12.097 -3.034 1.00 0.00 C ATOM 1423 CD2 TRP A 86 2.993 10.144 -2.006 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.786 12.367 -1.814 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.551 11.181 -1.165 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.864 8.821 -1.573 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 1.988 10.936 0.084 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.305 8.580 -0.334 1.00 0.00 C ATOM 1429 CH2 TRP A 86 1.873 9.632 0.483 1.00 0.00 C ATOM 0 H TRP A 86 4.635 8.669 -6.386 1.00 0.00 H new ATOM 0 HA TRP A 86 2.523 8.585 -4.430 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.890 9.391 -4.050 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.525 10.781 -5.054 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.655 12.842 -3.759 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.569 13.296 -1.452 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.195 8.003 -2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.654 11.746 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.199 7.562 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.440 9.410 1.447 1.00 0.00 H new ATOM 1440 N GLU A 87 2.433 10.746 -6.926 1.00 0.00 N ATOM 1441 CA GLU A 87 1.549 11.639 -7.663 1.00 0.00 C ATOM 1442 C GLU A 87 0.343 10.859 -8.165 1.00 0.00 C ATOM 1443 O GLU A 87 -0.707 11.428 -8.461 1.00 0.00 O ATOM 1444 CB GLU A 87 2.290 12.279 -8.839 1.00 0.00 C ATOM 1445 CG GLU A 87 2.930 13.616 -8.499 1.00 0.00 C ATOM 1446 CD GLU A 87 3.606 14.259 -9.694 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.734 13.840 -10.035 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.011 15.180 -10.288 1.00 0.00 O ATOM 0 H GLU A 87 3.359 10.630 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 87 1.214 12.434 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.063 11.594 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.592 12.419 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.168 14.291 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.663 13.472 -7.705 1.00 0.00 H new ATOM 1455 N ILE A 88 0.517 9.545 -8.257 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.549 8.660 -8.706 1.00 0.00 C ATOM 1457 C ILE A 88 -1.439 8.267 -7.531 1.00 0.00 C ATOM 1458 O ILE A 88 -2.633 8.568 -7.512 1.00 0.00 O ATOM 1459 CB ILE A 88 0.012 7.388 -9.375 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.650 7.734 -10.722 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.087 6.350 -9.559 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.645 6.700 -11.203 1.00 0.00 C ATOM 0 H ILE A 88 1.389 9.069 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.136 9.204 -9.446 1.00 0.00 H new ATOM 0 HB ILE A 88 0.778 6.965 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.136 7.845 -11.469 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.151 8.698 -10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.672 5.460 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.502 6.084 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.875 6.762 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.057 7.011 -12.163 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.451 6.605 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.144 5.739 -11.317 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.843 7.586 -6.556 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.566 7.146 -5.364 1.00 0.00 C ATOM 1476 C VAL A 89 -2.339 8.298 -4.726 1.00 0.00 C ATOM 1477 O VAL A 89 -3.384 8.089 -4.109 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.606 6.535 -4.321 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.323 6.281 -3.003 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.007 5.248 -4.852 1.00 0.00 C ATOM 0 H VAL A 89 0.143 7.325 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.273 6.382 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 89 0.195 7.251 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.624 5.850 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.710 7.222 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.149 5.588 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.681 4.830 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.784 4.530 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.564 5.460 -5.765 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.827 9.513 -4.884 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.476 10.690 -4.319 1.00 0.00 C ATOM 1492 C VAL A 90 -3.606 11.169 -5.229 1.00 0.00 C ATOM 1493 O VAL A 90 -4.727 11.394 -4.773 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.456 11.830 -4.071 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.908 13.142 -4.697 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -1.211 12.005 -2.580 1.00 0.00 C ATOM 0 H VAL A 90 -0.967 9.709 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.902 10.407 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.521 11.546 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.165 13.914 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.019 13.012 -5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.864 13.440 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.492 12.809 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.149 12.253 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.816 11.078 -2.165 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.298 11.333 -6.513 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.289 11.772 -7.492 1.00 0.00 C ATOM 1508 C GLN A 91 -5.535 10.892 -7.445 1.00 0.00 C ATOM 1509 O GLN A 91 -6.640 11.350 -7.740 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.693 11.753 -8.900 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.165 13.103 -9.356 1.00 0.00 C ATOM 1512 CD GLN A 91 -2.822 13.127 -10.833 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -1.656 13.247 -11.210 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.840 13.011 -11.678 1.00 0.00 N ATOM 0 H GLN A 91 -2.369 11.168 -6.900 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.578 12.792 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.882 11.025 -8.932 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.454 11.414 -9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.911 13.870 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.277 13.356 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.791 12.914 -11.321 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.671 13.019 -12.684 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.352 9.627 -7.073 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.464 8.685 -6.988 1.00 0.00 C ATOM 1525 C ASP A 92 -7.357 8.987 -5.785 1.00 0.00 C ATOM 1526 O ASP A 92 -8.248 8.205 -5.451 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.936 7.252 -6.897 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.662 6.650 -8.262 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.637 7.015 -8.876 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.472 5.816 -8.717 1.00 0.00 O ATOM 0 H ASP A 92 -4.445 9.232 -6.826 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.063 8.793 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.019 7.242 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.661 6.633 -6.369 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.113 10.123 -5.140 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.903 10.511 -3.987 1.00 0.00 C ATOM 1537 C GLY A 93 -7.609 9.672 -2.757 1.00 0.00 C ATOM 1538 O GLY A 93 -8.293 9.793 -1.741 1.00 0.00 O ATOM 0 H GLY A 93 -6.379 10.784 -5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.712 11.560 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.961 10.426 -4.233 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.593 8.818 -2.846 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.221 7.961 -1.727 1.00 0.00 C ATOM 1544 C ILE A 94 -5.358 8.713 -0.720 1.00 0.00 C ATOM 1545 O ILE A 94 -4.524 9.537 -1.096 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.457 6.707 -2.200 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -6.081 6.150 -3.481 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -5.448 5.650 -1.105 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -5.219 5.115 -4.173 1.00 0.00 C ATOM 0 H ILE A 94 -6.015 8.702 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.151 7.652 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.427 6.989 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.047 5.705 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.271 6.973 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.906 4.771 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.959 6.050 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.473 5.371 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.724 4.764 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.262 5.561 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.050 4.274 -3.501 1.00 0.00 H new ATOM 1561 N THR A 95 -5.564 8.422 0.561 1.00 0.00 N ATOM 1562 CA THR A 95 -4.804 9.067 1.627 1.00 0.00 C ATOM 1563 C THR A 95 -4.230 8.028 2.583 1.00 0.00 C ATOM 1564 O THR A 95 -4.604 6.856 2.536 1.00 0.00 O ATOM 1565 CB THR A 95 -5.676 10.058 2.420 1.00 0.00 C ATOM 1566 OG1 THR A 95 -4.919 10.629 3.495 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.913 9.369 2.976 1.00 0.00 C ATOM 0 H THR A 95 -6.252 7.743 0.886 1.00 0.00 H new ATOM 0 HA THR A 95 -3.990 9.617 1.155 1.00 0.00 H new ATOM 0 HB THR A 95 -5.994 10.848 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.481 11.259 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.512 10.090 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.503 8.963 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.611 8.559 3.640 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.317 8.460 3.450 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.695 7.555 4.410 1.00 0.00 C ATOM 1577 C LEU A 96 -3.720 6.969 5.364 1.00 0.00 C ATOM 1578 O LEU A 96 -4.919 7.231 5.256 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.614 8.273 5.220 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.221 7.652 5.118 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.483 8.122 3.855 1.00 0.00 C ATOM 1582 CD2 LEU A 96 0.606 7.986 6.348 1.00 0.00 C ATOM 0 H LEU A 96 -2.994 9.426 3.507 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.241 6.747 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.560 9.310 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.914 8.288 6.268 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.332 6.569 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.473 7.669 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.100 7.827 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.581 9.207 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.594 7.535 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.708 9.068 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.110 7.595 7.237 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.230 6.172 6.303 1.00 0.00 N ATOM 1595 CA ILE A 97 -4.081 5.546 7.298 1.00 0.00 C ATOM 1596 C ILE A 97 -4.670 6.605 8.226 1.00 0.00 C ATOM 1597 O ILE A 97 -3.952 7.235 9.002 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.284 4.501 8.114 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.305 3.143 7.405 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.831 4.376 9.529 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.703 3.169 6.012 1.00 0.00 C ATOM 0 H ILE A 97 -2.240 5.944 6.394 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.896 5.034 6.786 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.251 4.842 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.762 2.419 8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.336 2.794 7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.251 3.635 10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.759 5.340 10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.875 4.064 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.754 2.172 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.260 3.868 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.662 3.486 6.071 1.00 0.00 H new ATOM 1613 N THR A 98 -5.981 6.805 8.131 1.00 0.00 N ATOM 1614 CA THR A 98 -6.662 7.797 8.954 1.00 0.00 C ATOM 1615 C THR A 98 -7.277 7.161 10.195 1.00 0.00 C ATOM 1616 O THR A 98 -7.804 6.049 10.141 1.00 0.00 O ATOM 1617 CB THR A 98 -7.765 8.522 8.164 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.462 8.500 6.764 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.909 9.963 8.633 1.00 0.00 C ATOM 0 H THR A 98 -6.591 6.294 7.493 1.00 0.00 H new ATOM 0 HA THR A 98 -5.907 8.521 9.259 1.00 0.00 H new ATOM 0 HB THR A 98 -8.707 8.002 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.170 8.962 6.269 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.695 10.455 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.169 9.977 9.691 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.967 10.490 8.484 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.196 7.876 11.313 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.745 7.399 12.577 1.00 0.00 C ATOM 1629 C LYS A 99 -9.162 6.860 12.402 1.00 0.00 C ATOM 1630 O LYS A 99 -9.428 5.691 12.680 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.740 8.528 13.613 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.997 9.904 13.021 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.686 10.821 14.019 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.695 11.752 14.698 1.00 0.00 C ATOM 1635 NZ LYS A 99 -8.264 12.367 15.930 1.00 0.00 N ATOM 0 H LYS A 99 -6.753 8.793 11.369 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.114 6.582 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.499 8.320 14.367 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.777 8.536 14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.052 10.349 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.614 9.807 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.448 11.410 13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.198 10.222 14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.792 11.197 14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.400 12.538 14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.557 12.995 16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.111 12.918 15.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.522 11.618 16.605 1.00 0.00 H new ATOM 1649 N GLU A 100 -10.066 7.716 11.940 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.457 7.323 11.736 1.00 0.00 C ATOM 1651 C GLU A 100 -11.574 6.241 10.666 1.00 0.00 C ATOM 1652 O GLU A 100 -12.481 5.410 10.712 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.300 8.541 11.356 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.730 8.200 10.968 1.00 0.00 C ATOM 1655 CD GLU A 100 -13.982 8.349 9.480 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -13.998 9.499 8.993 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.162 7.316 8.803 1.00 0.00 O ATOM 0 H GLU A 100 -9.862 8.686 11.699 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.833 6.911 12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.317 9.236 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.821 9.058 10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.950 7.176 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.415 8.847 11.515 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.653 6.252 9.706 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.658 5.260 8.635 1.00 0.00 C ATOM 1666 C GLU A 101 -10.447 3.858 9.200 1.00 0.00 C ATOM 1667 O GLU A 101 -10.515 2.865 8.475 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.572 5.577 7.604 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.062 6.440 6.453 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.371 6.112 5.144 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -9.462 4.947 4.701 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -8.741 7.018 4.561 1.00 0.00 O ATOM 0 H GLU A 101 -9.897 6.934 9.648 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.630 5.297 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.746 6.085 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.177 4.643 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.137 6.306 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.896 7.490 6.694 1.00 0.00 H new ATOM 1679 N ALA A 102 -10.191 3.792 10.503 1.00 0.00 N ATOM 1680 CA ALA A 102 -9.974 2.523 11.182 1.00 0.00 C ATOM 1681 C ALA A 102 -11.042 2.297 12.247 1.00 0.00 C ATOM 1682 O ALA A 102 -12.078 2.961 12.247 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.586 2.484 11.802 1.00 0.00 C ATOM 0 H ALA A 102 -10.129 4.609 11.111 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.047 1.721 10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.439 1.529 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.835 2.601 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.487 3.294 12.524 1.00 0.00 H new ATOM 1689 N SER A 103 -10.786 1.359 13.151 1.00 0.00 N ATOM 1690 CA SER A 103 -11.732 1.054 14.218 1.00 0.00 C ATOM 1691 C SER A 103 -11.164 1.444 15.580 1.00 0.00 C ATOM 1692 O SER A 103 -10.671 0.595 16.323 1.00 0.00 O ATOM 1693 CB SER A 103 -12.084 -0.436 14.207 1.00 0.00 C ATOM 1694 OG SER A 103 -13.167 -0.711 15.077 1.00 0.00 O ATOM 0 H SER A 103 -9.934 0.798 13.167 1.00 0.00 H new ATOM 0 HA SER A 103 -12.637 1.636 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.340 -0.745 13.194 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.214 -1.020 14.508 1.00 0.00 H new ATOM 0 HG SER A 103 -13.373 -1.669 15.050 1.00 0.00 H new ATOM 1700 N GLY A 104 -11.234 2.734 15.901 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.724 3.204 17.177 1.00 0.00 C ATOM 1702 C GLY A 104 -10.150 4.609 17.108 1.00 0.00 C ATOM 1703 O GLY A 104 -9.658 5.127 18.111 1.00 0.00 O ATOM 0 H GLY A 104 -11.633 3.458 15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.528 3.182 17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.952 2.519 17.527 1.00 0.00 H new ATOM 1707 N SER A 105 -10.219 5.232 15.931 1.00 0.00 N ATOM 1708 CA SER A 105 -9.697 6.584 15.745 1.00 0.00 C ATOM 1709 C SER A 105 -8.309 6.732 16.364 1.00 0.00 C ATOM 1710 O SER A 105 -8.121 7.496 17.311 1.00 0.00 O ATOM 1711 CB SER A 105 -10.654 7.608 16.356 1.00 0.00 C ATOM 1712 OG SER A 105 -11.945 7.507 15.781 1.00 0.00 O ATOM 0 H SER A 105 -10.631 4.821 15.093 1.00 0.00 H new ATOM 0 HA SER A 105 -9.612 6.766 14.674 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.719 7.452 17.433 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.262 8.613 16.203 1.00 0.00 H new ATOM 0 HG SER A 105 -12.538 8.171 16.190 1.00 0.00 H new ATOM 1718 N SER A 106 -7.339 5.996 15.826 1.00 0.00 N ATOM 1719 CA SER A 106 -5.973 6.051 16.340 1.00 0.00 C ATOM 1720 C SER A 106 -4.969 6.417 15.248 1.00 0.00 C ATOM 1721 O SER A 106 -4.409 5.540 14.593 1.00 0.00 O ATOM 1722 CB SER A 106 -5.593 4.708 16.965 1.00 0.00 C ATOM 1723 OG SER A 106 -6.364 3.653 16.416 1.00 0.00 O ATOM 0 H SER A 106 -7.472 5.359 15.040 1.00 0.00 H new ATOM 0 HA SER A 106 -5.939 6.832 17.100 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.534 4.513 16.799 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.744 4.750 18.044 1.00 0.00 H new ATOM 0 HG SER A 106 -6.101 2.805 16.831 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.740 7.720 15.075 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.787 8.224 14.085 1.00 0.00 C ATOM 1731 C VAL A 107 -3.631 9.733 14.220 1.00 0.00 C ATOM 1732 O VAL A 107 -4.614 10.469 14.294 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.185 7.859 12.631 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.909 9.006 11.664 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.441 6.614 12.183 1.00 0.00 C ATOM 0 H VAL A 107 -5.206 8.451 15.613 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.833 7.737 14.289 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.258 7.666 12.621 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.201 8.711 10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.482 9.882 11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.846 9.246 11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.728 6.367 11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.367 6.797 12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.693 5.783 12.842 1.00 0.00 H new ATOM 1745 N THR A 108 -2.383 10.180 14.251 1.00 0.00 N ATOM 1746 CA THR A 108 -2.073 11.594 14.392 1.00 0.00 C ATOM 1747 C THR A 108 -2.480 12.392 13.158 1.00 0.00 C ATOM 1748 O THR A 108 -2.536 11.863 12.048 1.00 0.00 O ATOM 1749 CB THR A 108 -0.572 11.800 14.648 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.037 10.559 15.023 1.00 0.00 O ATOM 1751 CG2 THR A 108 -0.348 12.829 15.743 1.00 0.00 C ATOM 0 H THR A 108 -1.563 9.577 14.180 1.00 0.00 H new ATOM 0 HA THR A 108 -2.646 11.957 15.245 1.00 0.00 H new ATOM 0 HB THR A 108 -0.116 12.165 13.728 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.994 10.699 15.183 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.722 12.959 15.907 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.787 13.781 15.443 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.818 12.487 16.665 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.762 13.676 13.368 1.00 0.00 N ATOM 1760 CA ALA A 109 -3.151 14.571 12.284 1.00 0.00 C ATOM 1761 C ALA A 109 -1.988 14.785 11.323 1.00 0.00 C ATOM 1762 O ALA A 109 -2.161 15.297 10.219 1.00 0.00 O ATOM 1763 CB ALA A 109 -3.633 15.902 12.843 1.00 0.00 C ATOM 0 H ALA A 109 -2.728 14.121 14.285 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.970 14.110 11.733 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.920 16.559 12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.493 15.734 13.491 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.832 16.367 13.417 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.800 14.390 11.763 1.00 0.00 N ATOM 1770 CA GLU A 110 0.407 14.532 10.960 1.00 0.00 C ATOM 1771 C GLU A 110 0.548 13.357 9.998 1.00 0.00 C ATOM 1772 O GLU A 110 1.300 13.417 9.026 1.00 0.00 O ATOM 1773 CB GLU A 110 1.640 14.623 11.862 1.00 0.00 C ATOM 1774 CG GLU A 110 2.570 15.771 11.505 1.00 0.00 C ATOM 1775 CD GLU A 110 3.728 15.903 12.476 1.00 0.00 C ATOM 1776 OE1 GLU A 110 4.676 15.094 12.383 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.689 16.815 13.327 1.00 0.00 O ATOM 0 H GLU A 110 -0.647 13.966 12.678 1.00 0.00 H new ATOM 0 HA GLU A 110 0.328 15.452 10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.316 14.737 12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.193 13.686 11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.959 15.619 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.004 16.702 11.491 1.00 0.00 H new ATOM 1784 N GLU A 111 -0.179 12.286 10.285 1.00 0.00 N ATOM 1785 CA GLU A 111 -0.132 11.089 9.466 1.00 0.00 C ATOM 1786 C GLU A 111 -1.082 11.198 8.277 1.00 0.00 C ATOM 1787 O GLU A 111 -0.694 10.952 7.135 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.481 9.858 10.310 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.973 8.677 9.494 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.757 7.349 10.195 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.066 7.299 11.133 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.410 6.359 9.804 1.00 0.00 O ATOM 0 H GLU A 111 -0.811 12.225 11.084 1.00 0.00 H new ATOM 0 HA GLU A 111 0.882 10.982 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.400 9.555 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.247 10.131 11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.035 8.803 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.457 8.664 8.534 1.00 0.00 H new ATOM 1799 N ALA A 112 -2.326 11.575 8.548 1.00 0.00 N ATOM 1800 CA ALA A 112 -3.334 11.682 7.501 1.00 0.00 C ATOM 1801 C ALA A 112 -3.357 13.049 6.815 1.00 0.00 C ATOM 1802 O ALA A 112 -3.538 13.129 5.600 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.707 11.364 8.069 1.00 0.00 C ATOM 0 H ALA A 112 -2.660 11.811 9.482 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.064 10.955 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.455 11.446 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.710 10.349 8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.943 12.068 8.867 1.00 0.00 H new ATOM 1809 N LYS A 113 -3.174 14.118 7.582 1.00 0.00 N ATOM 1810 CA LYS A 113 -3.228 15.467 7.019 1.00 0.00 C ATOM 1811 C LYS A 113 -1.885 15.930 6.457 1.00 0.00 C ATOM 1812 O LYS A 113 -1.821 16.422 5.331 1.00 0.00 O ATOM 1813 CB LYS A 113 -3.720 16.463 8.069 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.866 15.939 8.918 1.00 0.00 C ATOM 1815 CD LYS A 113 -5.533 17.055 9.705 1.00 0.00 C ATOM 1816 CE LYS A 113 -7.036 16.845 9.803 1.00 0.00 C ATOM 1817 NZ LYS A 113 -7.675 17.826 10.724 1.00 0.00 N ATOM 0 H LYS A 113 -2.989 14.081 8.584 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.931 15.429 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.889 16.730 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.039 17.377 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.602 15.454 8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.493 15.180 9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.105 17.102 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.329 18.012 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.480 16.935 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.239 15.833 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.699 17.649 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.269 17.724 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.503 18.791 10.377 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.817 15.778 7.233 1.00 0.00 N ATOM 1832 CA LYS A 114 0.503 16.224 6.794 1.00 0.00 C ATOM 1833 C LYS A 114 0.942 15.517 5.517 1.00 0.00 C ATOM 1834 O LYS A 114 1.671 16.086 4.704 1.00 0.00 O ATOM 1835 CB LYS A 114 1.537 16.002 7.896 1.00 0.00 C ATOM 1836 CG LYS A 114 2.541 17.136 8.027 1.00 0.00 C ATOM 1837 CD LYS A 114 3.667 17.004 7.015 1.00 0.00 C ATOM 1838 CE LYS A 114 4.797 17.976 7.310 1.00 0.00 C ATOM 1839 NZ LYS A 114 4.465 19.363 6.878 1.00 0.00 N ATOM 0 H LYS A 114 -0.837 15.354 8.160 1.00 0.00 H new ATOM 0 HA LYS A 114 0.431 17.290 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.020 15.874 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.074 15.074 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.034 18.090 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.955 17.142 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.051 15.984 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.280 17.187 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.011 17.970 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.703 17.645 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.262 19.995 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.286 19.374 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.616 19.690 7.382 1.00 0.00 H new ATOM 1853 N PHE A 115 0.499 14.279 5.343 1.00 0.00 N ATOM 1854 CA PHE A 115 0.856 13.505 4.160 1.00 0.00 C ATOM 1855 C PHE A 115 0.102 13.999 2.930 1.00 0.00 C ATOM 1856 O PHE A 115 0.632 13.984 1.818 1.00 0.00 O ATOM 1857 CB PHE A 115 0.566 12.024 4.390 1.00 0.00 C ATOM 1858 CG PHE A 115 1.792 11.218 4.705 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.586 10.718 3.687 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.148 10.956 6.018 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.712 9.972 3.970 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.273 10.209 6.308 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.055 9.717 5.282 1.00 0.00 C ATOM 0 H PHE A 115 -0.106 13.790 6.003 1.00 0.00 H new ATOM 0 HA PHE A 115 1.923 13.637 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.146 11.924 5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.088 11.613 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.321 10.914 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.539 11.340 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.323 9.589 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.540 10.010 7.335 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.935 9.133 5.506 1.00 0.00 H new ATOM 1873 N LEU A 116 -1.137 14.435 3.134 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.962 14.932 2.037 1.00 0.00 C ATOM 1875 C LEU A 116 -2.577 16.283 2.385 1.00 0.00 C ATOM 1876 O LEU A 116 -3.723 16.358 2.831 1.00 0.00 O ATOM 1877 CB LEU A 116 -3.066 13.926 1.706 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.630 12.748 0.833 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.216 11.567 1.697 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.749 12.350 -0.119 1.00 0.00 C ATOM 0 H LEU A 116 -1.592 14.455 4.047 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.322 15.060 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.472 13.536 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.876 14.452 1.201 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.768 13.057 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.909 10.739 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.384 11.859 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.058 11.256 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.423 11.511 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.629 12.059 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.998 13.195 -0.762 1.00 0.00 H new ATOM 1892 N ALA A 117 -1.809 17.349 2.179 1.00 0.00 N ATOM 1893 CA ALA A 117 -2.280 18.698 2.470 1.00 0.00 C ATOM 1894 C ALA A 117 -2.728 19.409 1.195 1.00 0.00 C ATOM 1895 O ALA A 117 -2.203 19.144 0.114 1.00 0.00 O ATOM 1896 CB ALA A 117 -1.190 19.497 3.168 1.00 0.00 C ATOM 0 H ALA A 117 -0.858 17.304 1.812 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.141 18.622 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.555 20.502 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.920 19.005 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.313 19.557 2.523 1.00 0.00 H new