USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : no HD1:sc= -2.77 K(o=-5.4,f=-7.8) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -2.6 K(o=-5.4,f=-7.4!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -153:sc= -2.92! (180deg=-5.24!) USER MOD Set 2.2: A 15 THR OG1 : rot -74:sc= 0.494 USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.0738 (180deg=-0.464) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.24) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.31 K(o=-1.3,f=-2) USER MOD Single : A 17 LYS NZ :NH3+ 133:sc= -0.2 (180deg=-0.801) USER MOD Single : A 21 GLN : amide:sc= -0.741 K(o=-0.74,f=-3.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -102:sc= -1.25! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 82:sc= 1.91 USER MOD Single : A 39 GLN : amide:sc= 0.0211 K(o=0.021,f=-1.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= -0.0705 (180deg=-1.33!) USER MOD Single : A 85 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -104:sc= 0.431 (180deg=-0.477) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 4.231 -4.105 -1.016 1.00 0.00 N ATOM 30 CA PHE A 3 3.963 -5.444 -0.504 1.00 0.00 C ATOM 31 C PHE A 3 5.096 -6.400 -0.861 1.00 0.00 C ATOM 32 O PHE A 3 5.762 -6.238 -1.884 1.00 0.00 O ATOM 33 CB PHE A 3 2.640 -5.971 -1.064 1.00 0.00 C ATOM 34 CG PHE A 3 2.052 -7.092 -0.256 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.465 -8.400 -0.458 1.00 0.00 C ATOM 36 CD2 PHE A 3 1.086 -6.839 0.705 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.924 -9.433 0.283 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.543 -7.869 1.450 1.00 0.00 C ATOM 39 CZ PHE A 3 0.963 -9.168 1.239 1.00 0.00 C ATOM 0 HA PHE A 3 3.892 -5.383 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.922 -5.152 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.798 -6.315 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.218 -8.614 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.754 -5.825 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.253 -10.448 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.209 -7.658 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.541 -9.974 1.820 1.00 0.00 H new ATOM 49 N LYS A 4 5.311 -7.398 -0.010 1.00 0.00 N ATOM 50 CA LYS A 4 6.363 -8.382 -0.234 1.00 0.00 C ATOM 51 C LYS A 4 5.911 -9.771 0.205 1.00 0.00 C ATOM 52 O LYS A 4 5.128 -9.912 1.145 1.00 0.00 O ATOM 53 CB LYS A 4 7.632 -7.984 0.524 1.00 0.00 C ATOM 54 CG LYS A 4 8.557 -7.080 -0.272 1.00 0.00 C ATOM 55 CD LYS A 4 9.374 -7.868 -1.282 1.00 0.00 C ATOM 56 CE LYS A 4 10.507 -8.629 -0.609 1.00 0.00 C ATOM 57 NZ LYS A 4 11.505 -7.710 0.004 1.00 0.00 N ATOM 0 H LYS A 4 4.770 -7.546 0.842 1.00 0.00 H new ATOM 0 HA LYS A 4 6.579 -8.410 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.350 -7.479 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.174 -8.886 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.969 -6.322 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.227 -6.554 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.726 -8.569 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.784 -7.189 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.098 -9.285 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.002 -9.266 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.407 -8.212 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.650 -6.890 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.156 -7.386 0.929 1.00 0.00 H new ATOM 71 N PHE A 5 6.410 -10.795 -0.480 1.00 0.00 N ATOM 72 CA PHE A 5 6.057 -12.173 -0.160 1.00 0.00 C ATOM 73 C PHE A 5 6.350 -12.484 1.305 1.00 0.00 C ATOM 74 O PHE A 5 7.492 -12.394 1.754 1.00 0.00 O ATOM 75 CB PHE A 5 6.826 -13.141 -1.062 1.00 0.00 C ATOM 76 CG PHE A 5 6.774 -12.774 -2.517 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.637 -12.197 -3.059 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.862 -13.007 -3.343 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.586 -11.858 -4.398 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.816 -12.670 -4.683 1.00 0.00 C ATOM 81 CZ PHE A 5 6.677 -12.096 -5.211 1.00 0.00 C ATOM 0 H PHE A 5 7.060 -10.696 -1.260 1.00 0.00 H new ATOM 0 HA PHE A 5 4.988 -12.297 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.867 -13.175 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.420 -14.145 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.781 -12.010 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.755 -13.457 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.694 -11.408 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.671 -12.856 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.639 -11.833 -6.258 1.00 0.00 H new ATOM 91 N GLY A 6 5.308 -12.849 2.046 1.00 0.00 N ATOM 92 CA GLY A 6 5.473 -13.166 3.453 1.00 0.00 C ATOM 93 C GLY A 6 6.365 -14.372 3.674 1.00 0.00 C ATOM 94 O GLY A 6 6.948 -14.905 2.730 1.00 0.00 O ATOM 0 H GLY A 6 4.353 -12.931 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.897 -12.305 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.496 -13.354 3.897 1.00 0.00 H new ATOM 98 N LYS A 7 6.472 -14.805 4.926 1.00 0.00 N ATOM 99 CA LYS A 7 7.299 -15.955 5.270 1.00 0.00 C ATOM 100 C LYS A 7 6.847 -17.197 4.509 1.00 0.00 C ATOM 101 O LYS A 7 7.670 -17.984 4.042 1.00 0.00 O ATOM 102 CB LYS A 7 7.242 -16.218 6.777 1.00 0.00 C ATOM 103 CG LYS A 7 8.578 -16.621 7.375 1.00 0.00 C ATOM 104 CD LYS A 7 8.917 -18.068 7.059 1.00 0.00 C ATOM 105 CE LYS A 7 10.067 -18.168 6.069 1.00 0.00 C ATOM 106 NZ LYS A 7 11.388 -18.205 6.756 1.00 0.00 N ATOM 0 H LYS A 7 5.996 -14.376 5.719 1.00 0.00 H new ATOM 0 HA LYS A 7 8.327 -15.730 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.884 -15.320 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.514 -17.005 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.362 -15.970 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.551 -16.480 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.181 -18.590 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.039 -18.567 6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.947 -19.066 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.035 -17.317 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.146 -18.273 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.513 -17.337 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.428 -19.031 7.387 1.00 0.00 H new ATOM 120 N ASN A 8 5.534 -17.366 4.387 1.00 0.00 N ATOM 121 CA ASN A 8 4.973 -18.513 3.682 1.00 0.00 C ATOM 122 C ASN A 8 5.072 -18.323 2.171 1.00 0.00 C ATOM 123 O ASN A 8 5.462 -19.237 1.445 1.00 0.00 O ATOM 124 CB ASN A 8 3.513 -18.722 4.086 1.00 0.00 C ATOM 125 CG ASN A 8 3.293 -18.537 5.575 1.00 0.00 C ATOM 126 OD1 ASN A 8 2.942 -17.449 6.032 1.00 0.00 O ATOM 127 ND2 ASN A 8 3.499 -19.603 6.340 1.00 0.00 N ATOM 0 H ASN A 8 4.839 -16.723 4.767 1.00 0.00 H new ATOM 0 HA ASN A 8 5.549 -19.396 3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.883 -18.021 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.199 -19.725 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.367 -19.540 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.789 -20.485 5.918 1.00 0.00 H new ATOM 134 N SER A 9 4.717 -17.130 1.705 1.00 0.00 N ATOM 135 CA SER A 9 4.763 -16.821 0.281 1.00 0.00 C ATOM 136 C SER A 9 6.155 -17.081 -0.287 1.00 0.00 C ATOM 137 O SER A 9 6.309 -17.797 -1.276 1.00 0.00 O ATOM 138 CB SER A 9 4.366 -15.363 0.041 1.00 0.00 C ATOM 139 OG SER A 9 3.108 -15.074 0.626 1.00 0.00 O ATOM 0 H SER A 9 4.394 -16.362 2.293 1.00 0.00 H new ATOM 0 HA SER A 9 4.054 -17.472 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.125 -14.702 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.327 -15.165 -1.030 1.00 0.00 H new ATOM 0 HG SER A 9 2.878 -14.136 0.460 1.00 0.00 H new ATOM 145 N GLU A 10 7.165 -16.494 0.347 1.00 0.00 N ATOM 146 CA GLU A 10 8.544 -16.661 -0.096 1.00 0.00 C ATOM 147 C GLU A 10 8.879 -18.138 -0.287 1.00 0.00 C ATOM 148 O GLU A 10 9.569 -18.512 -1.235 1.00 0.00 O ATOM 149 CB GLU A 10 9.507 -16.035 0.915 1.00 0.00 C ATOM 150 CG GLU A 10 10.971 -16.201 0.545 1.00 0.00 C ATOM 151 CD GLU A 10 11.229 -15.967 -0.931 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.867 -14.881 -1.431 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.793 -16.869 -1.586 1.00 0.00 O ATOM 0 H GLU A 10 7.054 -15.899 1.168 1.00 0.00 H new ATOM 0 HA GLU A 10 8.655 -16.154 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.283 -14.972 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.335 -16.484 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.571 -15.504 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.298 -17.206 0.813 1.00 0.00 H new ATOM 160 N LYS A 11 8.385 -18.972 0.622 1.00 0.00 N ATOM 161 CA LYS A 11 8.630 -20.408 0.555 1.00 0.00 C ATOM 162 C LYS A 11 7.773 -21.057 -0.527 1.00 0.00 C ATOM 163 O LYS A 11 8.204 -21.998 -1.192 1.00 0.00 O ATOM 164 CB LYS A 11 8.339 -21.059 1.909 1.00 0.00 C ATOM 165 CG LYS A 11 8.432 -22.575 1.888 1.00 0.00 C ATOM 166 CD LYS A 11 7.124 -23.220 2.315 1.00 0.00 C ATOM 167 CE LYS A 11 6.317 -23.691 1.115 1.00 0.00 C ATOM 168 NZ LYS A 11 6.573 -25.124 0.802 1.00 0.00 N ATOM 0 H LYS A 11 7.813 -18.678 1.414 1.00 0.00 H new ATOM 0 HA LYS A 11 9.679 -20.561 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.040 -20.671 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.340 -20.769 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.694 -22.910 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.233 -22.901 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.331 -24.066 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.537 -22.506 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.255 -23.547 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.566 -23.080 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.406 -25.293 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.559 -25.359 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.933 -25.722 1.363 1.00 0.00 H new ATOM 182 N GLN A 12 6.558 -20.546 -0.699 1.00 0.00 N ATOM 183 CA GLN A 12 5.641 -21.075 -1.701 1.00 0.00 C ATOM 184 C GLN A 12 6.275 -21.045 -3.088 1.00 0.00 C ATOM 185 O GLN A 12 6.294 -22.053 -3.796 1.00 0.00 O ATOM 186 CB GLN A 12 4.338 -20.274 -1.706 1.00 0.00 C ATOM 187 CG GLN A 12 3.448 -20.554 -0.506 1.00 0.00 C ATOM 188 CD GLN A 12 2.488 -19.418 -0.214 1.00 0.00 C ATOM 189 OE1 GLN A 12 2.039 -18.720 -1.124 1.00 0.00 O ATOM 190 NE2 GLN A 12 2.166 -19.227 1.060 1.00 0.00 N ATOM 0 H GLN A 12 6.186 -19.766 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 12 5.421 -22.111 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.575 -19.210 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.786 -20.500 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.881 -21.467 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.071 -20.732 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.562 -19.829 1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.523 -18.478 1.317 1.00 0.00 H new ATOM 199 N LEU A 13 6.793 -19.883 -3.471 1.00 0.00 N ATOM 200 CA LEU A 13 7.428 -19.721 -4.775 1.00 0.00 C ATOM 201 C LEU A 13 8.813 -20.360 -4.789 1.00 0.00 C ATOM 202 O LEU A 13 9.307 -20.771 -5.838 1.00 0.00 O ATOM 203 CB LEU A 13 7.534 -18.237 -5.131 1.00 0.00 C ATOM 204 CG LEU A 13 6.210 -17.496 -5.320 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.242 -18.333 -6.142 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.600 -17.142 -3.972 1.00 0.00 C ATOM 0 H LEU A 13 6.786 -19.039 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 13 6.809 -20.223 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.099 -17.735 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.113 -18.145 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 13 6.408 -16.571 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.305 -17.789 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.677 -18.535 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.049 -19.275 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.658 -16.615 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.417 -18.054 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.287 -16.502 -3.418 1.00 0.00 H new ATOM 218 N ALA A 14 9.433 -20.441 -3.616 1.00 0.00 N ATOM 219 CA ALA A 14 10.759 -21.034 -3.493 1.00 0.00 C ATOM 220 C ALA A 14 10.689 -22.555 -3.560 1.00 0.00 C ATOM 221 O ALA A 14 11.715 -23.235 -3.588 1.00 0.00 O ATOM 222 CB ALA A 14 11.417 -20.590 -2.195 1.00 0.00 C ATOM 0 H ALA A 14 9.038 -20.104 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 14 11.364 -20.688 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.407 -21.040 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.511 -19.504 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.806 -20.907 -1.350 1.00 0.00 H new ATOM 228 N THR A 15 9.470 -23.086 -3.585 1.00 0.00 N ATOM 229 CA THR A 15 9.266 -24.528 -3.647 1.00 0.00 C ATOM 230 C THR A 15 8.756 -24.953 -5.019 1.00 0.00 C ATOM 231 O THR A 15 8.465 -26.127 -5.248 1.00 0.00 O ATOM 232 CB THR A 15 8.268 -25.000 -2.572 1.00 0.00 C ATOM 233 OG1 THR A 15 7.217 -24.039 -2.424 1.00 0.00 O ATOM 234 CG2 THR A 15 8.968 -25.204 -1.237 1.00 0.00 C ATOM 0 H THR A 15 8.609 -22.539 -3.563 1.00 0.00 H new ATOM 0 HA THR A 15 10.235 -24.993 -3.463 1.00 0.00 H new ATOM 0 HB THR A 15 7.846 -25.953 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.556 -23.255 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.244 -25.537 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.748 -25.957 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.414 -24.264 -0.913 1.00 0.00 H new ATOM 242 N VAL A 16 8.650 -23.991 -5.930 1.00 0.00 N ATOM 243 CA VAL A 16 8.177 -24.266 -7.281 1.00 0.00 C ATOM 244 C VAL A 16 9.206 -25.067 -8.071 1.00 0.00 C ATOM 245 O VAL A 16 10.411 -24.926 -7.864 1.00 0.00 O ATOM 246 CB VAL A 16 7.861 -22.964 -8.041 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.144 -22.301 -8.521 1.00 0.00 C ATOM 248 CG2 VAL A 16 6.927 -23.243 -9.209 1.00 0.00 C ATOM 0 H VAL A 16 8.886 -23.014 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 16 7.263 -24.851 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 16 7.359 -22.278 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.901 -21.383 -9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.775 -22.066 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.677 -22.979 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.714 -22.312 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.401 -23.947 -9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.996 -23.670 -8.836 1.00 0.00 H new ATOM 258 N LYS A 17 8.722 -25.908 -8.979 1.00 0.00 N ATOM 259 CA LYS A 17 9.599 -26.731 -9.804 1.00 0.00 C ATOM 260 C LYS A 17 10.306 -25.886 -10.859 1.00 0.00 C ATOM 261 O LYS A 17 11.532 -25.778 -10.882 1.00 0.00 O ATOM 262 CB LYS A 17 8.798 -27.846 -10.480 1.00 0.00 C ATOM 263 CG LYS A 17 9.195 -29.241 -10.029 1.00 0.00 C ATOM 264 CD LYS A 17 8.430 -29.664 -8.786 1.00 0.00 C ATOM 265 CE LYS A 17 9.074 -30.869 -8.119 1.00 0.00 C ATOM 266 NZ LYS A 17 10.481 -30.594 -7.715 1.00 0.00 N ATOM 0 H LYS A 17 7.727 -26.038 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 17 10.354 -27.176 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.738 -27.695 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.928 -27.772 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.006 -29.952 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.265 -29.268 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.392 -28.834 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.401 -29.902 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.493 -31.152 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.052 -31.717 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.632 -30.919 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.130 -31.099 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.665 -29.572 -7.772 1.00 0.00 H new ATOM 280 N PRO A 18 9.516 -25.271 -11.752 1.00 0.00 N ATOM 281 CA PRO A 18 10.045 -24.423 -12.824 1.00 0.00 C ATOM 282 C PRO A 18 10.630 -23.118 -12.296 1.00 0.00 C ATOM 283 O PRO A 18 10.880 -22.979 -11.099 1.00 0.00 O ATOM 284 CB PRO A 18 8.818 -24.145 -13.695 1.00 0.00 C ATOM 285 CG PRO A 18 7.657 -24.292 -12.772 1.00 0.00 C ATOM 286 CD PRO A 18 8.047 -25.356 -11.783 1.00 0.00 C ATOM 0 HA PRO A 18 10.864 -24.905 -13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.857 -23.145 -14.126 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.755 -24.848 -14.526 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.438 -23.351 -12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.758 -24.577 -13.318 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.613 -25.170 -10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.708 -26.342 -12.100 1.00 0.00 H new ATOM 294 N GLU A 19 10.846 -22.164 -13.196 1.00 0.00 N ATOM 295 CA GLU A 19 11.402 -20.870 -12.819 1.00 0.00 C ATOM 296 C GLU A 19 10.362 -19.764 -12.979 1.00 0.00 C ATOM 297 O GLU A 19 10.706 -18.596 -13.166 1.00 0.00 O ATOM 298 CB GLU A 19 12.635 -20.552 -13.667 1.00 0.00 C ATOM 299 CG GLU A 19 12.466 -20.894 -15.138 1.00 0.00 C ATOM 300 CD GLU A 19 12.922 -22.303 -15.466 1.00 0.00 C ATOM 301 OE1 GLU A 19 14.141 -22.565 -15.392 1.00 0.00 O ATOM 302 OE2 GLU A 19 12.059 -23.143 -15.795 1.00 0.00 O ATOM 0 H GLU A 19 10.644 -22.263 -14.191 1.00 0.00 H new ATOM 0 HA GLU A 19 11.695 -20.921 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.866 -19.491 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.490 -21.101 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.418 -20.782 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.033 -20.183 -15.740 1.00 0.00 H new ATOM 309 N LEU A 20 9.091 -20.140 -12.905 1.00 0.00 N ATOM 310 CA LEU A 20 8.000 -19.181 -13.042 1.00 0.00 C ATOM 311 C LEU A 20 8.061 -18.126 -11.942 1.00 0.00 C ATOM 312 O LEU A 20 7.719 -16.965 -12.164 1.00 0.00 O ATOM 313 CB LEU A 20 6.652 -19.903 -12.998 1.00 0.00 C ATOM 314 CG LEU A 20 6.159 -20.322 -11.612 1.00 0.00 C ATOM 315 CD1 LEU A 20 5.456 -19.163 -10.923 1.00 0.00 C ATOM 316 CD2 LEU A 20 5.233 -21.524 -11.717 1.00 0.00 C ATOM 0 H LEU A 20 8.790 -21.102 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 20 8.107 -18.682 -14.005 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.900 -19.254 -13.448 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.719 -20.794 -13.622 1.00 0.00 H new ATOM 0 HG LEU A 20 7.022 -20.605 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.112 -19.480 -9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.150 -18.329 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.601 -18.848 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.892 -21.808 -10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.373 -21.268 -12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.770 -22.358 -12.169 1.00 0.00 H new ATOM 328 N GLN A 21 8.500 -18.538 -10.757 1.00 0.00 N ATOM 329 CA GLN A 21 8.607 -17.628 -9.624 1.00 0.00 C ATOM 330 C GLN A 21 9.487 -16.431 -9.968 1.00 0.00 C ATOM 331 O GLN A 21 9.299 -15.335 -9.439 1.00 0.00 O ATOM 332 CB GLN A 21 9.175 -18.360 -8.406 1.00 0.00 C ATOM 333 CG GLN A 21 10.536 -18.988 -8.655 1.00 0.00 C ATOM 334 CD GLN A 21 11.681 -18.050 -8.325 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.482 -16.999 -7.715 1.00 0.00 O ATOM 336 NE2 GLN A 21 12.889 -18.426 -8.728 1.00 0.00 N ATOM 0 H GLN A 21 8.787 -19.496 -10.557 1.00 0.00 H new ATOM 0 HA GLN A 21 7.607 -17.265 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.254 -17.659 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.475 -19.138 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.629 -19.894 -8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.607 -19.289 -9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.008 -19.305 -9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.698 -17.835 -8.535 1.00 0.00 H new ATOM 345 N LYS A 22 10.449 -16.647 -10.859 1.00 0.00 N ATOM 346 CA LYS A 22 11.359 -15.587 -11.276 1.00 0.00 C ATOM 347 C LYS A 22 10.585 -14.372 -11.778 1.00 0.00 C ATOM 348 O LYS A 22 10.768 -13.259 -11.284 1.00 0.00 O ATOM 349 CB LYS A 22 12.299 -16.095 -12.372 1.00 0.00 C ATOM 350 CG LYS A 22 13.260 -17.171 -11.899 1.00 0.00 C ATOM 351 CD LYS A 22 14.483 -17.261 -12.796 1.00 0.00 C ATOM 352 CE LYS A 22 15.467 -16.136 -12.511 1.00 0.00 C ATOM 353 NZ LYS A 22 16.715 -16.277 -13.310 1.00 0.00 N ATOM 0 H LYS A 22 10.618 -17.548 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 22 11.949 -15.288 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.704 -16.488 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.872 -15.255 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.572 -16.957 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.749 -18.134 -11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.975 -18.222 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.174 -17.219 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.998 -15.178 -12.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.714 -16.129 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.360 -15.492 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.176 -17.180 -13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.482 -16.258 -14.323 1.00 0.00 H new ATOM 367 N VAL A 23 9.719 -14.593 -12.762 1.00 0.00 N ATOM 368 CA VAL A 23 8.915 -13.516 -13.329 1.00 0.00 C ATOM 369 C VAL A 23 8.069 -12.839 -12.256 1.00 0.00 C ATOM 370 O VAL A 23 7.904 -11.619 -12.260 1.00 0.00 O ATOM 371 CB VAL A 23 7.989 -14.035 -14.445 1.00 0.00 C ATOM 372 CG1 VAL A 23 6.775 -13.132 -14.594 1.00 0.00 C ATOM 373 CG2 VAL A 23 8.749 -14.143 -15.759 1.00 0.00 C ATOM 0 H VAL A 23 9.556 -15.508 -13.183 1.00 0.00 H new ATOM 0 HA VAL A 23 9.610 -12.790 -13.752 1.00 0.00 H new ATOM 0 HB VAL A 23 7.639 -15.030 -14.171 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.132 -13.514 -15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.220 -13.110 -13.656 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.101 -12.123 -14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.080 -14.511 -16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.129 -13.161 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.583 -14.834 -15.641 1.00 0.00 H new ATOM 383 N ALA A 24 7.536 -13.638 -11.338 1.00 0.00 N ATOM 384 CA ALA A 24 6.709 -13.116 -10.258 1.00 0.00 C ATOM 385 C ALA A 24 7.476 -12.094 -9.424 1.00 0.00 C ATOM 386 O ALA A 24 7.006 -10.977 -9.208 1.00 0.00 O ATOM 387 CB ALA A 24 6.212 -14.252 -9.376 1.00 0.00 C ATOM 0 H ALA A 24 7.662 -14.650 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 24 5.850 -12.613 -10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.596 -13.847 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.620 -14.945 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.064 -14.780 -8.948 1.00 0.00 H new ATOM 393 N ARG A 25 8.658 -12.485 -8.959 1.00 0.00 N ATOM 394 CA ARG A 25 9.488 -11.603 -8.147 1.00 0.00 C ATOM 395 C ARG A 25 9.852 -10.337 -8.918 1.00 0.00 C ATOM 396 O ARG A 25 9.603 -9.224 -8.455 1.00 0.00 O ATOM 397 CB ARG A 25 10.762 -12.328 -7.708 1.00 0.00 C ATOM 398 CG ARG A 25 11.675 -11.482 -6.837 1.00 0.00 C ATOM 399 CD ARG A 25 12.911 -12.257 -6.408 1.00 0.00 C ATOM 400 NE ARG A 25 13.931 -12.282 -7.452 1.00 0.00 N ATOM 401 CZ ARG A 25 14.944 -13.141 -7.470 1.00 0.00 C ATOM 402 NH1 ARG A 25 15.071 -14.041 -6.504 1.00 0.00 N ATOM 403 NH2 ARG A 25 15.833 -13.101 -8.454 1.00 0.00 N ATOM 0 H ARG A 25 9.062 -13.406 -9.130 1.00 0.00 H new ATOM 0 HA ARG A 25 8.916 -11.319 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.487 -13.230 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.312 -12.647 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.976 -10.589 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.130 -11.147 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.326 -11.807 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.628 -13.278 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 25 13.862 -11.602 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.390 -14.074 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.850 -14.700 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.739 -12.410 -9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.610 -13.761 -8.466 1.00 0.00 H new ATOM 417 N ARG A 26 10.442 -10.516 -10.095 1.00 0.00 N ATOM 418 CA ARG A 26 10.841 -9.388 -10.929 1.00 0.00 C ATOM 419 C ARG A 26 9.643 -8.499 -11.250 1.00 0.00 C ATOM 420 O ARG A 26 9.760 -7.275 -11.288 1.00 0.00 O ATOM 421 CB ARG A 26 11.482 -9.887 -12.225 1.00 0.00 C ATOM 422 CG ARG A 26 12.104 -8.781 -13.062 1.00 0.00 C ATOM 423 CD ARG A 26 13.450 -9.202 -13.631 1.00 0.00 C ATOM 424 NE ARG A 26 14.363 -8.071 -13.773 1.00 0.00 N ATOM 425 CZ ARG A 26 15.010 -7.517 -12.754 1.00 0.00 C ATOM 426 NH1 ARG A 26 14.846 -7.987 -11.525 1.00 0.00 N ATOM 427 NH2 ARG A 26 15.824 -6.490 -12.963 1.00 0.00 N ATOM 0 H ARG A 26 10.654 -11.431 -10.493 1.00 0.00 H new ATOM 0 HA ARG A 26 11.571 -8.798 -10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.249 -10.622 -11.981 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.727 -10.400 -12.820 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.430 -8.517 -13.877 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.230 -7.888 -12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.900 -9.951 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.301 -9.672 -14.603 1.00 0.00 H new ATOM 0 HE ARG A 26 14.512 -7.686 -14.706 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.221 -8.776 -11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.344 -7.559 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.953 -6.125 -13.907 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.320 -6.065 -12.180 1.00 0.00 H new ATOM 441 N ALA A 27 8.494 -9.124 -11.481 1.00 0.00 N ATOM 442 CA ALA A 27 7.275 -8.390 -11.798 1.00 0.00 C ATOM 443 C ALA A 27 6.904 -7.431 -10.671 1.00 0.00 C ATOM 444 O ALA A 27 6.570 -6.271 -10.915 1.00 0.00 O ATOM 445 CB ALA A 27 6.132 -9.357 -12.069 1.00 0.00 C ATOM 0 H ALA A 27 8.381 -10.137 -11.455 1.00 0.00 H new ATOM 0 HA ALA A 27 7.458 -7.801 -12.696 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.228 -8.795 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.390 -9.999 -12.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.958 -9.971 -11.185 1.00 0.00 H new ATOM 451 N LEU A 28 6.963 -7.923 -9.439 1.00 0.00 N ATOM 452 CA LEU A 28 6.631 -7.110 -8.274 1.00 0.00 C ATOM 453 C LEU A 28 7.357 -5.769 -8.322 1.00 0.00 C ATOM 454 O LEU A 28 6.837 -4.754 -7.860 1.00 0.00 O ATOM 455 CB LEU A 28 6.995 -7.854 -6.988 1.00 0.00 C ATOM 456 CG LEU A 28 6.167 -7.502 -5.752 1.00 0.00 C ATOM 457 CD1 LEU A 28 6.002 -8.720 -4.856 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.812 -6.357 -4.985 1.00 0.00 C ATOM 0 H LEU A 28 7.238 -8.881 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 28 5.557 -6.922 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.900 -8.924 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.044 -7.661 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 28 5.179 -7.181 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.410 -8.451 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.495 -9.512 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.983 -9.072 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.208 -6.121 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.813 -6.650 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.877 -5.479 -5.628 1.00 0.00 H new ATOM 470 N GLU A 29 8.561 -5.773 -8.886 1.00 0.00 N ATOM 471 CA GLU A 29 9.357 -4.556 -8.996 1.00 0.00 C ATOM 472 C GLU A 29 9.071 -3.836 -10.310 1.00 0.00 C ATOM 473 O GLU A 29 8.815 -2.631 -10.329 1.00 0.00 O ATOM 474 CB GLU A 29 10.848 -4.884 -8.894 1.00 0.00 C ATOM 475 CG GLU A 29 11.171 -5.924 -7.834 1.00 0.00 C ATOM 476 CD GLU A 29 12.358 -5.532 -6.976 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.166 -4.758 -6.015 1.00 0.00 O ATOM 478 OE2 GLU A 29 13.479 -6.000 -7.265 1.00 0.00 O ATOM 0 H GLU A 29 9.006 -6.605 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 29 9.081 -3.896 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.200 -5.242 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.398 -3.969 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.299 -6.071 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.376 -6.879 -8.318 1.00 0.00 H new ATOM 485 N LEU A 30 9.119 -4.581 -11.409 1.00 0.00 N ATOM 486 CA LEU A 30 8.866 -4.015 -12.729 1.00 0.00 C ATOM 487 C LEU A 30 7.562 -3.224 -12.742 1.00 0.00 C ATOM 488 O LEU A 30 7.556 -2.023 -13.012 1.00 0.00 O ATOM 489 CB LEU A 30 8.813 -5.126 -13.780 1.00 0.00 C ATOM 490 CG LEU A 30 10.144 -5.804 -14.107 1.00 0.00 C ATOM 491 CD1 LEU A 30 9.957 -6.848 -15.197 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.180 -4.772 -14.527 1.00 0.00 C ATOM 0 H LEU A 30 9.331 -5.579 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 30 9.684 -3.335 -12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.114 -5.889 -13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.405 -4.709 -14.701 1.00 0.00 H new ATOM 0 HG LEU A 30 10.504 -6.306 -13.209 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.915 -7.320 -15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.249 -7.604 -14.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.574 -6.369 -16.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.121 -5.273 -14.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.827 -4.241 -15.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.335 -4.061 -13.715 1.00 0.00 H new ATOM 504 N SER A 31 6.460 -3.906 -12.447 1.00 0.00 N ATOM 505 CA SER A 31 5.149 -3.267 -12.426 1.00 0.00 C ATOM 506 C SER A 31 5.150 -2.056 -11.499 1.00 0.00 C ATOM 507 O SER A 31 6.008 -1.909 -10.628 1.00 0.00 O ATOM 508 CB SER A 31 4.079 -4.265 -11.978 1.00 0.00 C ATOM 509 OG SER A 31 3.230 -3.697 -10.996 1.00 0.00 O ATOM 0 H SER A 31 6.449 -4.900 -12.219 1.00 0.00 H new ATOM 0 HA SER A 31 4.921 -2.929 -13.437 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.487 -4.578 -12.838 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.556 -5.159 -11.577 1.00 0.00 H new ATOM 0 HG SER A 31 3.482 -4.035 -10.111 1.00 0.00 H new ATOM 515 N PRO A 32 4.165 -1.165 -11.690 1.00 0.00 N ATOM 516 CA PRO A 32 4.029 0.050 -10.881 1.00 0.00 C ATOM 517 C PRO A 32 3.610 -0.253 -9.446 1.00 0.00 C ATOM 518 O PRO A 32 4.206 0.254 -8.495 1.00 0.00 O ATOM 519 CB PRO A 32 2.932 0.836 -11.603 1.00 0.00 C ATOM 520 CG PRO A 32 2.135 -0.198 -12.320 1.00 0.00 C ATOM 521 CD PRO A 32 3.109 -1.276 -12.709 1.00 0.00 C ATOM 0 HA PRO A 32 4.972 0.589 -10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.315 1.393 -10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.356 1.561 -12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.347 -0.596 -11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.649 0.224 -13.199 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.643 -2.261 -12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.502 -1.119 -13.714 1.00 0.00 H new ATOM 529 N TYR A 33 2.583 -1.082 -9.297 1.00 0.00 N ATOM 530 CA TYR A 33 2.084 -1.450 -7.978 1.00 0.00 C ATOM 531 C TYR A 33 2.531 -2.859 -7.600 1.00 0.00 C ATOM 532 O TYR A 33 2.761 -3.703 -8.466 1.00 0.00 O ATOM 533 CB TYR A 33 0.557 -1.362 -7.944 1.00 0.00 C ATOM 534 CG TYR A 33 -0.017 -0.405 -8.965 1.00 0.00 C ATOM 535 CD1 TYR A 33 0.264 0.954 -8.906 1.00 0.00 C ATOM 536 CD2 TYR A 33 -0.840 -0.861 -9.987 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.259 1.832 -9.836 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.365 0.010 -10.923 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.072 1.355 -10.843 1.00 0.00 C ATOM 540 OH TYR A 33 -1.595 2.226 -11.771 1.00 0.00 O ATOM 0 H TYR A 33 2.080 -1.512 -10.073 1.00 0.00 H new ATOM 0 HA TYR A 33 2.498 -0.750 -7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.140 -2.355 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.241 -1.050 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.902 1.331 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.073 -1.914 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.032 2.886 -9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.001 -0.361 -11.713 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.145 1.729 -12.412 1.00 0.00 H new ATOM 550 N ASP A 34 2.652 -3.105 -6.300 1.00 0.00 N ATOM 551 CA ASP A 34 3.070 -4.412 -5.805 1.00 0.00 C ATOM 552 C ASP A 34 1.917 -5.408 -5.860 1.00 0.00 C ATOM 553 O ASP A 34 0.779 -5.041 -6.154 1.00 0.00 O ATOM 554 CB ASP A 34 3.592 -4.295 -4.372 1.00 0.00 C ATOM 555 CG ASP A 34 4.718 -3.287 -4.245 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.457 -2.081 -4.433 1.00 0.00 O ATOM 557 OD2 ASP A 34 5.859 -3.706 -3.960 1.00 0.00 O ATOM 0 H ASP A 34 2.467 -2.417 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 34 3.872 -4.777 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.773 -4.006 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.942 -5.271 -4.035 1.00 0.00 H new ATOM 562 N PHE A 35 2.219 -6.671 -5.577 1.00 0.00 N ATOM 563 CA PHE A 35 1.207 -7.722 -5.596 1.00 0.00 C ATOM 564 C PHE A 35 1.467 -8.747 -4.496 1.00 0.00 C ATOM 565 O PHE A 35 2.612 -9.115 -4.232 1.00 0.00 O ATOM 566 CB PHE A 35 1.187 -8.414 -6.960 1.00 0.00 C ATOM 567 CG PHE A 35 2.318 -9.383 -7.157 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.201 -10.699 -6.740 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.498 -8.978 -7.760 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.239 -11.594 -6.920 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.539 -9.868 -7.943 1.00 0.00 C ATOM 572 CZ PHE A 35 4.410 -11.177 -7.522 1.00 0.00 C ATOM 0 H PHE A 35 3.156 -6.992 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 35 0.236 -7.261 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.241 -8.943 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.227 -7.657 -7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.287 -11.030 -6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.605 -7.955 -8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.135 -12.617 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.453 -9.540 -8.415 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.223 -11.873 -7.663 1.00 0.00 H new ATOM 582 N THR A 36 0.395 -9.205 -3.857 1.00 0.00 N ATOM 583 CA THR A 36 0.506 -10.186 -2.785 1.00 0.00 C ATOM 584 C THR A 36 0.341 -11.604 -3.318 1.00 0.00 C ATOM 585 O THR A 36 -0.481 -11.854 -4.200 1.00 0.00 O ATOM 586 CB THR A 36 -0.545 -9.937 -1.686 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.396 -10.903 -0.639 1.00 0.00 O ATOM 588 CG2 THR A 36 -1.953 -10.013 -2.256 1.00 0.00 C ATOM 0 H THR A 36 -0.560 -8.912 -4.063 1.00 0.00 H new ATOM 0 HA THR A 36 1.502 -10.076 -2.357 1.00 0.00 H new ATOM 0 HB THR A 36 -0.387 -8.937 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.321 -10.621 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.677 -9.834 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.072 -9.258 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.120 -11.002 -2.683 1.00 0.00 H new ATOM 596 N ILE A 37 1.127 -12.530 -2.778 1.00 0.00 N ATOM 597 CA ILE A 37 1.065 -13.924 -3.199 1.00 0.00 C ATOM 598 C ILE A 37 -0.019 -14.680 -2.440 1.00 0.00 C ATOM 599 O ILE A 37 -0.171 -14.520 -1.228 1.00 0.00 O ATOM 600 CB ILE A 37 2.415 -14.635 -2.988 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.404 -14.236 -4.086 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.221 -16.144 -2.967 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.127 -14.897 -5.418 1.00 0.00 C ATOM 0 H ILE A 37 1.814 -12.340 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 37 0.826 -13.923 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 37 2.825 -14.327 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.376 -13.154 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.414 -14.493 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.184 -16.633 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.547 -16.413 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.793 -16.469 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.867 -14.568 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.184 -15.980 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.130 -14.620 -5.761 1.00 0.00 H new ATOM 615 N VAL A 38 -0.771 -15.507 -3.160 1.00 0.00 N ATOM 616 CA VAL A 38 -1.840 -16.291 -2.554 1.00 0.00 C ATOM 617 C VAL A 38 -1.430 -17.752 -2.398 1.00 0.00 C ATOM 618 O VAL A 38 -1.647 -18.359 -1.350 1.00 0.00 O ATOM 619 CB VAL A 38 -3.132 -16.219 -3.389 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.293 -16.848 -2.633 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.446 -14.777 -3.760 1.00 0.00 C ATOM 0 H VAL A 38 -0.659 -15.651 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.028 -15.862 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.981 -16.783 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.197 -16.788 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.066 -17.893 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.448 -16.314 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.362 -14.744 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.578 -14.188 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.623 -14.364 -4.344 1.00 0.00 H new ATOM 631 N GLN A 39 -0.836 -18.309 -3.449 1.00 0.00 N ATOM 632 CA GLN A 39 -0.396 -19.698 -3.429 1.00 0.00 C ATOM 633 C GLN A 39 0.750 -19.921 -4.411 1.00 0.00 C ATOM 634 O GLN A 39 0.888 -19.193 -5.393 1.00 0.00 O ATOM 635 CB GLN A 39 -1.561 -20.630 -3.767 1.00 0.00 C ATOM 636 CG GLN A 39 -2.369 -21.058 -2.552 1.00 0.00 C ATOM 637 CD GLN A 39 -3.383 -22.138 -2.877 1.00 0.00 C ATOM 638 OE1 GLN A 39 -3.199 -23.304 -2.526 1.00 0.00 O ATOM 639 NE2 GLN A 39 -4.461 -21.755 -3.551 1.00 0.00 N ATOM 0 H GLN A 39 -0.649 -17.819 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.039 -19.924 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.222 -20.130 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.172 -21.518 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.691 -21.422 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.886 -20.191 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.573 -20.778 -3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.177 -22.438 -3.798 1.00 0.00 H new ATOM 648 N GLY A 40 1.569 -20.932 -4.138 1.00 0.00 N ATOM 649 CA GLY A 40 2.692 -21.232 -5.007 1.00 0.00 C ATOM 650 C GLY A 40 2.848 -22.718 -5.261 1.00 0.00 C ATOM 651 O GLY A 40 2.808 -23.166 -6.407 1.00 0.00 O ATOM 0 H GLY A 40 1.475 -21.548 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.559 -20.716 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.607 -20.845 -4.559 1.00 0.00 H new ATOM 655 N ILE A 41 3.029 -23.483 -4.190 1.00 0.00 N ATOM 656 CA ILE A 41 3.193 -24.927 -4.302 1.00 0.00 C ATOM 657 C ILE A 41 2.305 -25.661 -3.303 1.00 0.00 C ATOM 658 O ILE A 41 1.923 -25.106 -2.272 1.00 0.00 O ATOM 659 CB ILE A 41 4.657 -25.347 -4.076 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.061 -26.431 -5.077 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.853 -25.837 -2.649 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.050 -25.960 -6.514 1.00 0.00 C ATOM 0 H ILE A 41 3.066 -23.127 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 41 2.898 -25.200 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 41 5.296 -24.478 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.060 -26.790 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.383 -27.279 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.893 -26.130 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.601 -25.038 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.205 -26.695 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.347 -26.780 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.047 -25.628 -6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.749 -25.132 -6.631 1.00 0.00 H new ATOM 674 N ARG A 42 1.982 -26.912 -3.614 1.00 0.00 N ATOM 675 CA ARG A 42 1.140 -27.723 -2.742 1.00 0.00 C ATOM 676 C ARG A 42 1.988 -28.536 -1.770 1.00 0.00 C ATOM 677 O ARG A 42 2.789 -29.378 -2.180 1.00 0.00 O ATOM 678 CB ARG A 42 0.260 -28.658 -3.574 1.00 0.00 C ATOM 679 CG ARG A 42 -0.981 -27.985 -4.137 1.00 0.00 C ATOM 680 CD ARG A 42 -1.986 -27.662 -3.042 1.00 0.00 C ATOM 681 NE ARG A 42 -2.828 -26.521 -3.390 1.00 0.00 N ATOM 682 CZ ARG A 42 -3.797 -26.573 -4.297 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.046 -27.704 -4.942 1.00 0.00 N ATOM 684 NH2 ARG A 42 -4.521 -25.492 -4.559 1.00 0.00 N ATOM 0 H ARG A 42 2.290 -27.386 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 42 0.503 -27.052 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.850 -29.061 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.044 -29.503 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.696 -27.068 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.445 -28.636 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.614 -28.533 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.455 -27.451 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.663 -25.636 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.493 -28.537 -4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.791 -27.741 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.334 -24.620 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.265 -25.533 -5.256 1.00 0.00 H new ATOM 1035 N HIS A 66 -1.171 -26.353 -9.379 1.00 0.00 N ATOM 1036 CA HIS A 66 -0.190 -26.280 -8.301 1.00 0.00 C ATOM 1037 C HIS A 66 0.392 -27.658 -8.002 1.00 0.00 C ATOM 1038 O HIS A 66 1.488 -27.773 -7.452 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.830 -25.699 -7.040 1.00 0.00 C ATOM 1040 CG HIS A 66 -1.006 -24.213 -7.087 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.120 -23.331 -6.505 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.972 -23.453 -7.654 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.534 -22.094 -6.710 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.656 -22.140 -7.405 1.00 0.00 N ATOM 0 HA HIS A 66 0.620 -25.625 -8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.803 -26.167 -6.888 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.214 -25.956 -6.178 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.831 -23.812 -8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.039 -21.197 -6.368 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.200 -21.332 -7.708 1.00 0.00 H new ATOM 1052 N ILE A 67 -0.347 -28.700 -8.368 1.00 0.00 N ATOM 1053 CA ILE A 67 0.097 -30.069 -8.138 1.00 0.00 C ATOM 1054 C ILE A 67 1.474 -30.309 -8.747 1.00 0.00 C ATOM 1055 O ILE A 67 2.322 -30.973 -8.150 1.00 0.00 O ATOM 1056 CB ILE A 67 -0.897 -31.089 -8.725 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -2.336 -30.624 -8.492 1.00 0.00 C ATOM 1058 CG2 ILE A 67 -0.672 -32.462 -8.110 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -2.632 -30.274 -7.051 1.00 0.00 C ATOM 0 H ILE A 67 -1.256 -28.622 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 67 0.151 -30.207 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.728 -31.162 -9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.533 -29.753 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.020 -31.409 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.382 -33.172 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.344 -32.794 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.817 -32.406 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.670 -29.953 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.467 -31.149 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.973 -29.467 -6.730 1.00 0.00 H new ATOM 1071 N THR A 68 1.692 -29.763 -9.940 1.00 0.00 N ATOM 1072 CA THR A 68 2.966 -29.918 -10.630 1.00 0.00 C ATOM 1073 C THR A 68 3.822 -28.664 -10.490 1.00 0.00 C ATOM 1074 O THR A 68 4.882 -28.552 -11.105 1.00 0.00 O ATOM 1075 CB THR A 68 2.762 -30.222 -12.126 1.00 0.00 C ATOM 1076 OG1 THR A 68 2.276 -29.056 -12.801 1.00 0.00 O ATOM 1077 CG2 THR A 68 1.782 -31.370 -12.316 1.00 0.00 C ATOM 0 H THR A 68 1.002 -29.210 -10.448 1.00 0.00 H new ATOM 0 HA THR A 68 3.478 -30.759 -10.163 1.00 0.00 H new ATOM 0 HB THR A 68 3.723 -30.512 -12.550 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.150 -29.257 -13.752 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.654 -31.567 -13.380 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.169 -32.264 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.820 -31.104 -11.878 1.00 0.00 H new ATOM 1085 N GLY A 69 3.355 -27.722 -9.676 1.00 0.00 N ATOM 1086 CA GLY A 69 4.091 -26.488 -9.470 1.00 0.00 C ATOM 1087 C GLY A 69 4.372 -25.757 -10.768 1.00 0.00 C ATOM 1088 O GLY A 69 5.355 -25.023 -10.875 1.00 0.00 O ATOM 0 H GLY A 69 2.480 -27.791 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.523 -25.837 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.034 -26.710 -8.970 1.00 0.00 H new ATOM 1092 N ASP A 70 3.509 -25.958 -11.757 1.00 0.00 N ATOM 1093 CA ASP A 70 3.669 -25.313 -13.055 1.00 0.00 C ATOM 1094 C ASP A 70 2.853 -24.026 -13.126 1.00 0.00 C ATOM 1095 O ASP A 70 2.518 -23.551 -14.211 1.00 0.00 O ATOM 1096 CB ASP A 70 3.245 -26.263 -14.176 1.00 0.00 C ATOM 1097 CG ASP A 70 1.741 -26.312 -14.356 1.00 0.00 C ATOM 1098 OD1 ASP A 70 1.017 -26.170 -13.348 1.00 0.00 O ATOM 1099 OD2 ASP A 70 1.286 -26.490 -15.506 1.00 0.00 O ATOM 0 H ASP A 70 2.691 -26.563 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 70 4.722 -25.062 -13.181 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.710 -25.948 -15.110 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.615 -27.265 -13.958 1.00 0.00 H new ATOM 1104 N ALA A 71 2.536 -23.467 -11.963 1.00 0.00 N ATOM 1105 CA ALA A 71 1.760 -22.235 -11.894 1.00 0.00 C ATOM 1106 C ALA A 71 1.634 -21.746 -10.455 1.00 0.00 C ATOM 1107 O ALA A 71 1.816 -22.515 -9.510 1.00 0.00 O ATOM 1108 CB ALA A 71 0.383 -22.443 -12.505 1.00 0.00 C ATOM 0 H ALA A 71 2.805 -23.848 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 71 2.287 -21.471 -12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.185 -21.515 -12.446 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.489 -22.738 -13.549 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.143 -23.225 -11.958 1.00 0.00 H new ATOM 1114 N ILE A 72 1.322 -20.464 -10.295 1.00 0.00 N ATOM 1115 CA ILE A 72 1.171 -19.874 -8.971 1.00 0.00 C ATOM 1116 C ILE A 72 0.010 -18.886 -8.939 1.00 0.00 C ATOM 1117 O ILE A 72 -0.458 -18.429 -9.981 1.00 0.00 O ATOM 1118 CB ILE A 72 2.457 -19.152 -8.527 1.00 0.00 C ATOM 1119 CG1 ILE A 72 2.757 -17.978 -9.460 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.627 -20.125 -8.497 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.117 -16.679 -9.022 1.00 0.00 C ATOM 0 H ILE A 72 1.169 -19.814 -11.066 1.00 0.00 H new ATOM 0 HA ILE A 72 0.967 -20.693 -8.281 1.00 0.00 H new ATOM 0 HB ILE A 72 2.308 -18.762 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.836 -17.839 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.410 -18.224 -10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.529 -19.600 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.412 -20.931 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.779 -20.542 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.372 -15.891 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.034 -16.800 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.483 -16.409 -8.031 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.448 -18.560 -7.735 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.553 -17.623 -7.566 1.00 0.00 C ATOM 1135 C ASP A 73 -1.078 -16.339 -6.894 1.00 0.00 C ATOM 1136 O ASP A 73 -0.286 -16.374 -5.952 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.670 -18.263 -6.739 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.991 -17.534 -6.889 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -4.002 -16.293 -6.751 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -5.013 -18.205 -7.143 1.00 0.00 O ATOM 0 H ASP A 73 -0.072 -18.930 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.940 -17.373 -8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.795 -19.302 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.381 -18.272 -5.688 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.567 -15.205 -7.385 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.191 -13.908 -6.834 1.00 0.00 C ATOM 1147 C PHE A 74 -2.331 -12.904 -6.978 1.00 0.00 C ATOM 1148 O PHE A 74 -3.301 -13.150 -7.694 1.00 0.00 O ATOM 1149 CB PHE A 74 0.063 -13.377 -7.532 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.233 -12.584 -8.773 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.437 -11.215 -8.704 1.00 0.00 C ATOM 1152 CD2 PHE A 74 -0.307 -13.207 -10.008 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.710 -10.484 -9.845 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.580 -12.481 -11.152 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.781 -11.117 -11.070 1.00 0.00 C ATOM 0 H PHE A 74 -2.225 -15.158 -8.163 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.979 -14.040 -5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.620 -12.751 -6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.708 -14.217 -7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.382 -10.714 -7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.149 -14.273 -10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.868 -9.418 -9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.636 -12.979 -12.108 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.993 -10.547 -11.962 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.206 -11.773 -6.292 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.224 -10.731 -6.344 1.00 0.00 C ATOM 1167 C ALA A 75 -2.591 -9.353 -6.498 1.00 0.00 C ATOM 1168 O ALA A 75 -1.597 -9.023 -5.851 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.092 -10.779 -5.095 1.00 0.00 C ATOM 0 H ALA A 75 -1.409 -11.555 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.851 -10.913 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.848 -9.995 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.581 -11.751 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.470 -10.625 -4.213 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.179 -8.526 -7.376 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.689 -7.169 -7.635 1.00 0.00 C ATOM 1177 C PRO A 76 -2.917 -6.234 -6.452 1.00 0.00 C ATOM 1178 O PRO A 76 -4.057 -5.953 -6.082 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.517 -6.717 -8.841 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.767 -7.525 -8.766 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.368 -8.852 -8.181 1.00 0.00 C ATOM 0 HA PRO A 76 -1.613 -7.151 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.732 -5.649 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.985 -6.896 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.513 -7.032 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.210 -7.651 -9.754 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.164 -9.277 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.140 -9.581 -8.958 1.00 0.00 H new ATOM 1189 N TYR A 77 -1.827 -5.755 -5.864 1.00 0.00 N ATOM 1190 CA TYR A 77 -1.908 -4.853 -4.721 1.00 0.00 C ATOM 1191 C TYR A 77 -1.846 -3.397 -5.171 1.00 0.00 C ATOM 1192 O TYR A 77 -1.070 -3.042 -6.059 1.00 0.00 O ATOM 1193 CB TYR A 77 -0.775 -5.142 -3.735 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.253 -5.409 -2.325 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -1.760 -6.652 -1.966 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.199 -4.418 -1.353 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.198 -6.900 -0.680 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -1.634 -4.658 -0.064 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.133 -5.900 0.268 1.00 0.00 C ATOM 1200 OH TYR A 77 -2.568 -6.143 1.550 1.00 0.00 O ATOM 0 H TYR A 77 -0.876 -5.976 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.864 -5.021 -4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.209 -6.004 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.090 -4.294 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.812 -7.438 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.810 -3.444 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.589 -7.872 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.584 -3.877 0.680 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.453 -5.335 2.093 1.00 0.00 H new ATOM 1210 N ILE A 78 -2.670 -2.558 -4.552 1.00 0.00 N ATOM 1211 CA ILE A 78 -2.709 -1.140 -4.887 1.00 0.00 C ATOM 1212 C ILE A 78 -3.163 -0.305 -3.694 1.00 0.00 C ATOM 1213 O ILE A 78 -4.128 -0.651 -3.014 1.00 0.00 O ATOM 1214 CB ILE A 78 -3.647 -0.867 -6.077 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.004 -1.342 -7.382 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -3.987 0.613 -6.156 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -3.386 -2.754 -7.765 1.00 0.00 C ATOM 0 H ILE A 78 -3.319 -2.836 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.694 -0.854 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.572 -1.424 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.292 -0.665 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.920 -1.281 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.651 0.789 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.483 0.922 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.072 1.190 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.894 -3.023 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.073 -3.441 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.467 -2.817 -7.893 1.00 0.00 H new ATOM 1229 N ASN A 79 -2.462 0.797 -3.448 1.00 0.00 N ATOM 1230 CA ASN A 79 -2.794 1.682 -2.338 1.00 0.00 C ATOM 1231 C ASN A 79 -2.730 0.936 -1.009 1.00 0.00 C ATOM 1232 O ASN A 79 -3.489 1.225 -0.085 1.00 0.00 O ATOM 1233 CB ASN A 79 -4.190 2.279 -2.534 1.00 0.00 C ATOM 1234 CG ASN A 79 -4.180 3.478 -3.462 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -3.139 4.096 -3.686 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -5.344 3.814 -4.006 1.00 0.00 N ATOM 0 H ASN A 79 -1.661 1.098 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.061 2.488 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.855 1.516 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.595 2.575 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.400 4.613 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.182 3.273 -3.792 1.00 0.00 H new ATOM 1243 N GLY A 80 -1.818 -0.027 -0.921 1.00 0.00 N ATOM 1244 CA GLY A 80 -1.671 -0.800 0.299 1.00 0.00 C ATOM 1245 C GLY A 80 -2.846 -1.726 0.544 1.00 0.00 C ATOM 1246 O GLY A 80 -3.061 -2.186 1.665 1.00 0.00 O ATOM 0 H GLY A 80 -1.178 -0.286 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.755 -1.388 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.565 -0.121 1.145 1.00 0.00 H new ATOM 1250 N LYS A 81 -3.612 -1.999 -0.508 1.00 0.00 N ATOM 1251 CA LYS A 81 -4.772 -2.875 -0.403 1.00 0.00 C ATOM 1252 C LYS A 81 -4.996 -3.640 -1.703 1.00 0.00 C ATOM 1253 O LYS A 81 -4.684 -3.145 -2.787 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.021 -2.061 -0.056 1.00 0.00 C ATOM 1255 CG LYS A 81 -6.337 -0.972 -1.066 1.00 0.00 C ATOM 1256 CD LYS A 81 -7.662 -0.294 -0.759 1.00 0.00 C ATOM 1257 CE LYS A 81 -7.497 0.811 0.274 1.00 0.00 C ATOM 1258 NZ LYS A 81 -7.567 0.284 1.665 1.00 0.00 N ATOM 0 H LYS A 81 -3.449 -1.625 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.582 -3.595 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.875 -2.735 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.887 -1.607 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.539 -0.230 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.370 -1.402 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.080 0.123 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.374 -1.033 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.540 1.310 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.274 1.562 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.061 0.969 2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.085 -0.618 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.604 0.132 2.028 1.00 0.00 H new ATOM 1272 N ILE A 82 -5.539 -4.847 -1.589 1.00 0.00 N ATOM 1273 CA ILE A 82 -5.806 -5.678 -2.756 1.00 0.00 C ATOM 1274 C ILE A 82 -6.742 -4.972 -3.731 1.00 0.00 C ATOM 1275 O ILE A 82 -7.744 -4.382 -3.327 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.425 -7.030 -2.355 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -5.647 -7.646 -1.189 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.444 -7.978 -3.545 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.423 -7.669 0.109 1.00 0.00 C ATOM 0 H ILE A 82 -5.803 -5.271 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.847 -5.857 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.453 -6.861 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.362 -8.665 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.724 -7.085 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.884 -8.929 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.036 -7.541 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.425 -8.144 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.811 -8.119 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.685 -6.650 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.333 -8.255 -0.021 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.410 -5.039 -5.015 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.223 -4.409 -6.049 1.00 0.00 C ATOM 1293 C ASP A 83 -8.012 -5.454 -6.832 1.00 0.00 C ATOM 1294 O ASP A 83 -7.517 -6.014 -7.811 1.00 0.00 O ATOM 1295 CB ASP A 83 -6.340 -3.600 -7.000 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.145 -2.682 -7.898 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.272 -3.063 -8.279 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -6.649 -1.582 -8.218 1.00 0.00 O ATOM 0 H ASP A 83 -5.583 -5.523 -5.365 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.929 -3.737 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.634 -3.007 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.753 -4.282 -7.615 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.239 -5.712 -6.395 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.096 -6.690 -7.055 1.00 0.00 C ATOM 1305 C TRP A 84 -11.228 -6.002 -7.809 1.00 0.00 C ATOM 1306 O TRP A 84 -11.845 -6.593 -8.694 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.670 -7.669 -6.030 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.721 -8.770 -5.663 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.308 -9.112 -4.407 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.066 -9.672 -6.562 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.436 -10.171 -4.470 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.271 -10.534 -5.781 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.075 -9.836 -7.949 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.494 -11.543 -6.344 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.303 -10.838 -8.506 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.522 -11.681 -7.705 1.00 0.00 C ATOM 0 H TRP A 84 -9.663 -5.258 -5.586 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.489 -7.241 -7.774 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -10.945 -7.121 -5.129 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.585 -8.106 -6.429 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.621 -8.621 -3.497 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.984 -10.615 -3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.674 -9.192 -8.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.891 -12.194 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.302 -10.973 -9.577 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.930 -12.455 -8.171 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.495 -4.750 -7.452 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.555 -3.982 -8.096 1.00 0.00 C ATOM 1329 C ASN A 85 -11.990 -3.099 -9.205 1.00 0.00 C ATOM 1330 O ASN A 85 -12.482 -3.111 -10.333 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.286 -3.119 -7.065 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.114 -3.948 -6.101 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -15.341 -3.981 -6.190 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -13.444 -4.621 -5.173 1.00 0.00 N ATOM 0 H ASN A 85 -10.993 -4.246 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.261 -4.684 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.558 -2.533 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.935 -2.411 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.947 -5.195 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.426 -4.564 -5.137 1.00 0.00 H new ATOM 1341 N ASP A 86 -10.954 -2.336 -8.875 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.320 -1.448 -9.843 1.00 0.00 C ATOM 1343 C ASP A 86 -9.599 -2.248 -10.924 1.00 0.00 C ATOM 1344 O ASP A 86 -8.403 -2.523 -10.814 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.335 -0.513 -9.141 1.00 0.00 C ATOM 1346 CG ASP A 86 -9.823 0.922 -9.105 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -10.104 1.480 -10.186 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.923 1.488 -7.996 1.00 0.00 O ATOM 0 H ASP A 86 -10.535 -2.314 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.100 -0.852 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.170 -0.863 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.373 -0.554 -9.652 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.333 -2.619 -11.967 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.764 -3.389 -13.068 1.00 0.00 C ATOM 1355 C LEU A 87 -8.724 -2.570 -13.824 1.00 0.00 C ATOM 1356 O LEU A 87 -7.878 -3.121 -14.528 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.869 -3.840 -14.025 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.351 -2.797 -15.033 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -12.286 -3.431 -16.051 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.040 -1.643 -14.319 1.00 0.00 C ATOM 0 H LEU A 87 -11.323 -2.399 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.273 -4.268 -12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.512 -4.710 -14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.724 -4.166 -13.433 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.483 -2.404 -15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.619 -2.673 -16.760 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.760 -4.222 -16.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.150 -3.853 -15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.376 -0.910 -15.052 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.898 -2.020 -13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.339 -1.171 -13.630 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.791 -1.251 -13.672 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.853 -0.356 -14.340 1.00 0.00 C ATOM 1374 C GLU A 88 -6.412 -0.739 -14.017 1.00 0.00 C ATOM 1375 O GLU A 88 -5.672 -1.204 -14.884 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.113 1.093 -13.925 1.00 0.00 C ATOM 1377 CG GLU A 88 -9.429 1.648 -14.443 1.00 0.00 C ATOM 1378 CD GLU A 88 -9.573 3.137 -14.195 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.943 3.516 -13.063 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -9.316 3.923 -15.130 1.00 0.00 O ATOM 0 H GLU A 88 -9.485 -0.779 -13.092 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.003 -0.450 -15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.104 1.157 -12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.297 1.718 -14.288 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.505 1.453 -15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.255 1.122 -13.963 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.020 -0.539 -12.762 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.669 -0.864 -12.323 1.00 0.00 C ATOM 1389 C ALA A 89 -4.369 -2.347 -12.520 1.00 0.00 C ATOM 1390 O ALA A 89 -3.209 -2.752 -12.584 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.480 -0.474 -10.865 1.00 0.00 C ATOM 0 H ALA A 89 -6.619 -0.154 -12.032 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.968 -0.295 -12.934 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.466 -0.722 -10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.643 0.598 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.195 -1.017 -10.247 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.423 -3.151 -12.613 1.00 0.00 N ATOM 1398 CA PHE A 90 -5.272 -4.589 -12.800 1.00 0.00 C ATOM 1399 C PHE A 90 -4.348 -4.891 -13.976 1.00 0.00 C ATOM 1400 O PHE A 90 -3.264 -5.448 -13.800 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.638 -5.241 -13.031 1.00 0.00 C ATOM 1402 CG PHE A 90 -6.755 -6.614 -12.434 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -5.990 -7.663 -12.919 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -7.629 -6.856 -11.387 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -6.097 -8.927 -12.372 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -7.740 -8.119 -10.835 1.00 0.00 C ATOM 1407 CZ PHE A 90 -6.972 -9.156 -11.328 1.00 0.00 C ATOM 0 H PHE A 90 -6.390 -2.831 -12.562 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.827 -5.003 -11.895 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.413 -4.602 -12.608 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.826 -5.302 -14.103 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.302 -7.490 -13.734 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.231 -6.049 -10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.496 -9.736 -12.761 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.426 -8.294 -10.020 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.055 -10.143 -10.898 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.784 -4.520 -15.174 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.996 -4.751 -16.380 1.00 0.00 C ATOM 1419 C TRP A 91 -2.675 -3.991 -16.321 1.00 0.00 C ATOM 1420 O TRP A 91 -1.760 -4.260 -17.098 1.00 0.00 O ATOM 1421 CB TRP A 91 -4.787 -4.329 -17.619 1.00 0.00 C ATOM 1422 CG TRP A 91 -5.115 -2.867 -17.645 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -4.232 -1.827 -17.581 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -6.419 -2.283 -17.740 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -4.908 -0.632 -17.630 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -6.251 -0.884 -17.729 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -7.711 -2.805 -17.836 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -7.327 -0.005 -17.809 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -8.779 -1.931 -17.915 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -8.582 -0.544 -17.902 1.00 0.00 C ATOM 0 H TRP A 91 -5.679 -4.058 -15.337 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.777 -5.817 -16.443 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -4.213 -4.581 -18.511 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.713 -4.903 -17.663 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -3.160 -1.929 -17.503 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.479 0.293 -17.598 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -7.873 -3.873 -17.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -7.177 1.065 -17.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -9.782 -2.324 -17.988 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -9.437 0.113 -17.967 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.584 -3.042 -15.395 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.374 -2.245 -15.235 1.00 0.00 C ATOM 1443 C ALA A 92 -0.248 -3.074 -14.627 1.00 0.00 C ATOM 1444 O ALA A 92 0.875 -3.078 -15.131 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.657 -1.024 -14.373 1.00 0.00 C ATOM 0 H ALA A 92 -3.334 -2.807 -14.744 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.054 -1.913 -16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.745 -0.438 -14.262 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.425 -0.413 -14.848 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.004 -1.345 -13.391 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.555 -3.775 -13.540 1.00 0.00 N ATOM 1452 CA VAL A 93 0.432 -4.609 -12.864 1.00 0.00 C ATOM 1453 C VAL A 93 0.573 -5.962 -13.552 1.00 0.00 C ATOM 1454 O VAL A 93 1.666 -6.523 -13.626 1.00 0.00 O ATOM 1455 CB VAL A 93 0.059 -4.833 -11.386 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.379 -5.314 -11.265 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.017 -5.822 -10.739 1.00 0.00 C ATOM 0 H VAL A 93 -1.479 -3.782 -13.109 1.00 0.00 H new ATOM 0 HA VAL A 93 1.383 -4.079 -12.915 1.00 0.00 H new ATOM 0 HB VAL A 93 0.144 -3.882 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.624 -5.467 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.050 -4.567 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.495 -6.254 -11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.739 -5.968 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.966 -6.775 -11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.033 -5.432 -10.792 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.541 -6.482 -14.056 1.00 0.00 N ATOM 1468 CA LYS A 94 -0.544 -7.769 -14.741 1.00 0.00 C ATOM 1469 C LYS A 94 0.376 -7.740 -15.957 1.00 0.00 C ATOM 1470 O LYS A 94 1.081 -8.709 -16.239 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.965 -8.138 -15.172 1.00 0.00 C ATOM 1472 CG LYS A 94 -2.056 -9.473 -15.890 1.00 0.00 C ATOM 1473 CD LYS A 94 -3.161 -9.472 -16.932 1.00 0.00 C ATOM 1474 CE LYS A 94 -4.447 -10.070 -16.382 1.00 0.00 C ATOM 1475 NZ LYS A 94 -5.281 -9.049 -15.689 1.00 0.00 N ATOM 0 H LYS A 94 -1.454 -6.031 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.175 -8.523 -14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.607 -8.164 -14.292 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.352 -7.356 -15.826 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.103 -9.695 -16.370 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.240 -10.265 -15.164 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.347 -8.451 -17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.839 -10.039 -17.805 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.019 -10.514 -17.197 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.205 -10.874 -15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.197 -9.172 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.954 -8.097 -15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.275 -9.164 -15.971 1.00 0.00 H new ATOM 1489 N LYS A 95 0.365 -6.621 -16.674 1.00 0.00 N ATOM 1490 CA LYS A 95 1.201 -6.464 -17.859 1.00 0.00 C ATOM 1491 C LYS A 95 2.661 -6.765 -17.539 1.00 0.00 C ATOM 1492 O LYS A 95 3.424 -7.183 -18.410 1.00 0.00 O ATOM 1493 CB LYS A 95 1.072 -5.044 -18.414 1.00 0.00 C ATOM 1494 CG LYS A 95 1.754 -4.851 -19.758 1.00 0.00 C ATOM 1495 CD LYS A 95 2.112 -3.394 -19.997 1.00 0.00 C ATOM 1496 CE LYS A 95 3.334 -2.981 -19.190 1.00 0.00 C ATOM 1497 NZ LYS A 95 4.048 -1.833 -19.814 1.00 0.00 N ATOM 0 H LYS A 95 -0.213 -5.810 -16.455 1.00 0.00 H new ATOM 0 HA LYS A 95 0.859 -7.175 -18.611 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.015 -4.797 -18.514 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.497 -4.342 -17.696 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.657 -5.460 -19.800 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.097 -5.201 -20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.304 -3.235 -21.058 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.266 -2.761 -19.728 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.028 -2.712 -18.179 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.015 -3.828 -19.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.874 -1.582 -19.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.363 -2.098 -20.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.406 -1.017 -19.875 1.00 0.00 H new ATOM 1511 N ALA A 96 3.043 -6.552 -16.284 1.00 0.00 N ATOM 1512 CA ALA A 96 4.412 -6.805 -15.849 1.00 0.00 C ATOM 1513 C ALA A 96 4.699 -8.301 -15.784 1.00 0.00 C ATOM 1514 O ALA A 96 5.823 -8.739 -16.033 1.00 0.00 O ATOM 1515 CB ALA A 96 4.663 -6.157 -14.496 1.00 0.00 C ATOM 0 H ALA A 96 2.424 -6.205 -15.551 1.00 0.00 H new ATOM 0 HA ALA A 96 5.088 -6.364 -16.581 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.688 -6.354 -14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.507 -5.081 -14.573 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.973 -6.571 -13.761 1.00 0.00 H new ATOM 1521 N PHE A 97 3.678 -9.081 -15.447 1.00 0.00 N ATOM 1522 CA PHE A 97 3.822 -10.529 -15.347 1.00 0.00 C ATOM 1523 C PHE A 97 4.093 -11.144 -16.716 1.00 0.00 C ATOM 1524 O PHE A 97 4.982 -11.982 -16.866 1.00 0.00 O ATOM 1525 CB PHE A 97 2.562 -11.147 -14.737 1.00 0.00 C ATOM 1526 CG PHE A 97 2.706 -11.491 -13.283 1.00 0.00 C ATOM 1527 CD1 PHE A 97 2.539 -10.521 -12.308 1.00 0.00 C ATOM 1528 CD2 PHE A 97 3.009 -12.785 -12.890 1.00 0.00 C ATOM 1529 CE1 PHE A 97 2.672 -10.835 -10.968 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.143 -13.105 -11.552 1.00 0.00 C ATOM 1531 CZ PHE A 97 2.973 -12.129 -10.590 1.00 0.00 C ATOM 0 H PHE A 97 2.741 -8.735 -15.238 1.00 0.00 H new ATOM 0 HA PHE A 97 4.672 -10.741 -14.699 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.731 -10.451 -14.857 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.305 -12.049 -15.292 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.302 -9.508 -12.598 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.142 -13.553 -13.638 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.541 -10.069 -10.218 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.380 -14.117 -11.259 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.075 -12.377 -9.544 1.00 0.00 H new ATOM 1541 N GLU A 98 3.320 -10.722 -17.712 1.00 0.00 N ATOM 1542 CA GLU A 98 3.476 -11.233 -19.069 1.00 0.00 C ATOM 1543 C GLU A 98 4.707 -10.629 -19.739 1.00 0.00 C ATOM 1544 O GLU A 98 5.385 -11.291 -20.524 1.00 0.00 O ATOM 1545 CB GLU A 98 2.228 -10.926 -19.899 1.00 0.00 C ATOM 1546 CG GLU A 98 1.771 -9.481 -19.800 1.00 0.00 C ATOM 1547 CD GLU A 98 0.912 -9.058 -20.977 1.00 0.00 C ATOM 1548 OE1 GLU A 98 0.491 -9.942 -21.752 1.00 0.00 O ATOM 1549 OE2 GLU A 98 0.662 -7.843 -21.122 1.00 0.00 O ATOM 0 H GLU A 98 2.580 -10.028 -17.605 1.00 0.00 H new ATOM 0 HA GLU A 98 3.608 -12.313 -19.011 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.429 -11.164 -20.944 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.417 -11.578 -19.574 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.208 -9.344 -18.877 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.644 -8.831 -19.740 1.00 0.00 H new ATOM 1556 N GLN A 99 4.987 -9.369 -19.424 1.00 0.00 N ATOM 1557 CA GLN A 99 6.135 -8.676 -19.996 1.00 0.00 C ATOM 1558 C GLN A 99 7.440 -9.221 -19.425 1.00 0.00 C ATOM 1559 O GLN A 99 8.375 -9.522 -20.166 1.00 0.00 O ATOM 1560 CB GLN A 99 6.036 -7.173 -19.729 1.00 0.00 C ATOM 1561 CG GLN A 99 5.086 -6.450 -20.670 1.00 0.00 C ATOM 1562 CD GLN A 99 5.649 -6.304 -22.070 1.00 0.00 C ATOM 1563 OE1 GLN A 99 5.597 -7.236 -22.873 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.192 -5.130 -22.370 1.00 0.00 N ATOM 0 H GLN A 99 4.435 -8.807 -18.776 1.00 0.00 H new ATOM 0 HA GLN A 99 6.131 -8.847 -21.072 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.707 -7.016 -18.702 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.028 -6.730 -19.817 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.143 -6.995 -20.717 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.864 -5.462 -20.267 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.214 -4.385 -21.673 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.587 -4.973 -23.297 1.00 0.00 H new ATOM 1573 N ALA A 100 7.496 -9.343 -18.103 1.00 0.00 N ATOM 1574 CA ALA A 100 8.686 -9.853 -17.432 1.00 0.00 C ATOM 1575 C ALA A 100 9.090 -11.213 -17.990 1.00 0.00 C ATOM 1576 O ALA A 100 10.265 -11.577 -17.974 1.00 0.00 O ATOM 1577 CB ALA A 100 8.448 -9.945 -15.932 1.00 0.00 C ATOM 0 H ALA A 100 6.731 -9.096 -17.475 1.00 0.00 H new ATOM 0 HA ALA A 100 9.504 -9.156 -17.617 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.345 -10.327 -15.444 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.215 -8.955 -15.539 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.614 -10.619 -15.737 1.00 0.00 H new ATOM 1583 N GLY A 101 8.108 -11.961 -18.483 1.00 0.00 N ATOM 1584 CA GLY A 101 8.382 -13.274 -19.039 1.00 0.00 C ATOM 1585 C GLY A 101 9.127 -13.202 -20.357 1.00 0.00 C ATOM 1586 O GLY A 101 9.844 -14.132 -20.725 1.00 0.00 O ATOM 0 H GLY A 101 7.127 -11.682 -18.508 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.968 -13.852 -18.325 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.442 -13.807 -19.185 1.00 0.00 H new ATOM 1590 N LYS A 102 8.956 -12.095 -21.071 1.00 0.00 N ATOM 1591 CA LYS A 102 9.616 -11.903 -22.357 1.00 0.00 C ATOM 1592 C LYS A 102 11.077 -11.506 -22.164 1.00 0.00 C ATOM 1593 O LYS A 102 11.942 -11.894 -22.948 1.00 0.00 O ATOM 1594 CB LYS A 102 8.889 -10.832 -23.173 1.00 0.00 C ATOM 1595 CG LYS A 102 9.519 -9.454 -23.067 1.00 0.00 C ATOM 1596 CD LYS A 102 8.639 -8.389 -23.699 1.00 0.00 C ATOM 1597 CE LYS A 102 8.903 -8.262 -25.192 1.00 0.00 C ATOM 1598 NZ LYS A 102 10.029 -7.332 -25.479 1.00 0.00 N ATOM 0 H LYS A 102 8.365 -11.316 -20.781 1.00 0.00 H new ATOM 0 HA LYS A 102 9.582 -12.848 -22.899 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.871 -11.135 -24.220 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.853 -10.775 -22.840 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.690 -9.211 -22.018 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.493 -9.460 -23.556 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.590 -8.637 -23.534 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.821 -7.430 -23.213 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.129 -9.245 -25.606 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.002 -7.906 -25.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.177 -7.273 -26.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.803 -6.388 -25.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.895 -7.685 -25.024 1.00 0.00 H new ATOM 1612 N GLU A 103 11.342 -10.733 -21.116 1.00 0.00 N ATOM 1613 CA GLU A 103 12.698 -10.285 -20.822 1.00 0.00 C ATOM 1614 C GLU A 103 13.474 -11.360 -20.065 1.00 0.00 C ATOM 1615 O GLU A 103 14.678 -11.528 -20.263 1.00 0.00 O ATOM 1616 CB GLU A 103 12.666 -8.993 -20.003 1.00 0.00 C ATOM 1617 CG GLU A 103 11.959 -9.137 -18.666 1.00 0.00 C ATOM 1618 CD GLU A 103 11.771 -7.808 -17.959 1.00 0.00 C ATOM 1619 OE1 GLU A 103 12.717 -7.359 -17.279 1.00 0.00 O ATOM 1620 OE2 GLU A 103 10.678 -7.218 -18.087 1.00 0.00 O ATOM 0 H GLU A 103 10.636 -10.404 -20.457 1.00 0.00 H new ATOM 0 HA GLU A 103 13.203 -10.094 -21.769 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.688 -8.657 -19.829 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.170 -8.216 -20.585 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.986 -9.602 -18.822 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.533 -9.807 -18.026 1.00 0.00 H new ATOM 1627 N LEU A 104 12.776 -12.085 -19.198 1.00 0.00 N ATOM 1628 CA LEU A 104 13.397 -13.144 -18.410 1.00 0.00 C ATOM 1629 C LEU A 104 13.356 -14.473 -19.157 1.00 0.00 C ATOM 1630 O LEU A 104 14.003 -15.441 -18.758 1.00 0.00 O ATOM 1631 CB LEU A 104 12.693 -13.282 -17.059 1.00 0.00 C ATOM 1632 CG LEU A 104 12.815 -12.087 -16.113 1.00 0.00 C ATOM 1633 CD1 LEU A 104 11.507 -11.858 -15.372 1.00 0.00 C ATOM 1634 CD2 LEU A 104 13.957 -12.298 -15.131 1.00 0.00 C ATOM 0 H LEU A 104 11.779 -11.959 -19.023 1.00 0.00 H new ATOM 0 HA LEU A 104 14.440 -12.875 -18.242 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.635 -13.469 -17.241 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.090 -14.162 -16.553 1.00 0.00 H new ATOM 0 HG LEU A 104 13.033 -11.199 -16.706 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.612 -11.004 -14.703 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.712 -11.660 -16.091 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.258 -12.746 -14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.029 -11.437 -14.466 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.770 -13.197 -14.543 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.892 -12.411 -15.679 1.00 0.00 H new ATOM 1646 N GLY A 105 12.593 -14.512 -20.244 1.00 0.00 N ATOM 1647 CA GLY A 105 12.483 -15.727 -21.031 1.00 0.00 C ATOM 1648 C GLY A 105 11.593 -16.764 -20.375 1.00 0.00 C ATOM 1649 O GLY A 105 11.433 -17.870 -20.892 1.00 0.00 O ATOM 0 H GLY A 105 12.049 -13.724 -20.594 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.086 -15.483 -22.016 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.476 -16.149 -21.183 1.00 0.00 H new ATOM 1653 N ILE A 106 11.015 -16.408 -19.233 1.00 0.00 N ATOM 1654 CA ILE A 106 10.137 -17.316 -18.506 1.00 0.00 C ATOM 1655 C ILE A 106 8.701 -17.211 -19.006 1.00 0.00 C ATOM 1656 O ILE A 106 8.115 -16.129 -19.024 1.00 0.00 O ATOM 1657 CB ILE A 106 10.164 -17.033 -16.992 1.00 0.00 C ATOM 1658 CG1 ILE A 106 11.414 -17.647 -16.358 1.00 0.00 C ATOM 1659 CG2 ILE A 106 8.906 -17.576 -16.330 1.00 0.00 C ATOM 1660 CD1 ILE A 106 12.605 -16.715 -16.345 1.00 0.00 C ATOM 0 H ILE A 106 11.139 -15.497 -18.791 1.00 0.00 H new ATOM 0 HA ILE A 106 10.508 -18.325 -18.686 1.00 0.00 H new ATOM 0 HB ILE A 106 10.195 -15.954 -16.839 1.00 0.00 H new ATOM 0 HG12 ILE A 106 11.184 -17.944 -15.335 1.00 0.00 H new ATOM 0 HG13 ILE A 106 11.679 -18.554 -16.901 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.939 -17.369 -15.260 1.00 0.00 H new ATOM 0 HG22 ILE A 106 8.030 -17.096 -16.766 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.847 -18.653 -16.489 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.454 -17.217 -15.881 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.861 -16.438 -17.368 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.359 -15.818 -15.777 1.00 0.00 H new ATOM 1672 N LYS A 107 8.137 -18.344 -19.411 1.00 0.00 N ATOM 1673 CA LYS A 107 6.767 -18.382 -19.909 1.00 0.00 C ATOM 1674 C LYS A 107 5.793 -17.848 -18.864 1.00 0.00 C ATOM 1675 O LYS A 107 6.020 -17.984 -17.661 1.00 0.00 O ATOM 1676 CB LYS A 107 6.383 -19.812 -20.296 1.00 0.00 C ATOM 1677 CG LYS A 107 6.743 -20.173 -21.727 1.00 0.00 C ATOM 1678 CD LYS A 107 8.238 -20.053 -21.973 1.00 0.00 C ATOM 1679 CE LYS A 107 8.600 -18.693 -22.549 1.00 0.00 C ATOM 1680 NZ LYS A 107 9.707 -18.788 -23.541 1.00 0.00 N ATOM 0 H LYS A 107 8.608 -19.249 -19.404 1.00 0.00 H new ATOM 0 HA LYS A 107 6.710 -17.745 -20.792 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.878 -20.508 -19.619 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.310 -19.941 -20.157 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.419 -21.192 -21.939 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.207 -19.519 -22.414 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.775 -20.208 -21.037 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.559 -20.837 -22.659 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.723 -18.255 -23.025 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.893 -18.023 -21.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.924 -17.840 -23.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.552 -19.183 -23.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.418 -19.407 -24.325 1.00 0.00 H new ATOM 1694 N LEU A 108 4.707 -17.241 -19.330 1.00 0.00 N ATOM 1695 CA LEU A 108 3.697 -16.687 -18.435 1.00 0.00 C ATOM 1696 C LEU A 108 2.425 -16.336 -19.201 1.00 0.00 C ATOM 1697 O LEU A 108 2.473 -15.652 -20.223 1.00 0.00 O ATOM 1698 CB LEU A 108 4.240 -15.444 -17.728 1.00 0.00 C ATOM 1699 CG LEU A 108 3.632 -15.131 -16.360 1.00 0.00 C ATOM 1700 CD1 LEU A 108 2.122 -14.990 -16.466 1.00 0.00 C ATOM 1701 CD2 LEU A 108 4.000 -16.211 -15.353 1.00 0.00 C ATOM 0 H LEU A 108 4.503 -17.120 -20.322 1.00 0.00 H new ATOM 0 HA LEU A 108 3.453 -17.444 -17.689 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.317 -15.561 -17.607 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.084 -14.583 -18.378 1.00 0.00 H new ATOM 0 HG LEU A 108 4.040 -14.183 -16.011 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.707 -14.767 -15.483 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.880 -14.180 -17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.695 -15.921 -16.837 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.559 -15.972 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.621 -17.173 -15.697 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.084 -16.262 -15.255 1.00 0.00 H new ATOM 2062 N HIS A 133 -4.730 -16.994 -11.711 1.00 0.00 N ATOM 2063 CA HIS A 133 -3.712 -18.038 -11.749 1.00 0.00 C ATOM 2064 C HIS A 133 -2.818 -17.880 -12.976 1.00 0.00 C ATOM 2065 O HIS A 133 -3.302 -17.645 -14.083 1.00 0.00 O ATOM 2066 CB HIS A 133 -4.367 -19.419 -11.756 1.00 0.00 C ATOM 2067 CG HIS A 133 -3.435 -20.527 -11.372 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -2.391 -20.359 -10.488 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -3.395 -21.824 -11.757 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.748 -21.504 -10.347 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -2.338 -22.409 -11.106 1.00 0.00 N ATOM 0 HA HIS A 133 -3.095 -17.942 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -5.214 -19.414 -11.070 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -4.764 -19.618 -12.751 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -2.152 -19.487 -10.016 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -4.069 -22.308 -12.448 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.886 -21.672 -9.718 1.00 0.00 H new ATOM 2079 N VAL A 134 -1.511 -18.010 -12.771 1.00 0.00 N ATOM 2080 CA VAL A 134 -0.550 -17.883 -13.860 1.00 0.00 C ATOM 2081 C VAL A 134 0.260 -19.163 -14.030 1.00 0.00 C ATOM 2082 O VAL A 134 0.886 -19.643 -13.086 1.00 0.00 O ATOM 2083 CB VAL A 134 0.414 -16.705 -13.622 1.00 0.00 C ATOM 2084 CG1 VAL A 134 -0.358 -15.402 -13.485 1.00 0.00 C ATOM 2085 CG2 VAL A 134 1.271 -16.959 -12.391 1.00 0.00 C ATOM 0 H VAL A 134 -1.094 -18.203 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 134 -1.123 -17.696 -14.768 1.00 0.00 H new ATOM 0 HB VAL A 134 1.074 -16.618 -14.485 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.340 -14.582 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -0.924 -15.216 -14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -1.044 -15.473 -12.641 1.00 0.00 H new ATOM 0 HG21 VAL A 134 1.946 -16.117 -12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 134 0.629 -17.073 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 134 1.853 -17.869 -12.534 1.00 0.00 H new ATOM 2095 N GLU A 135 0.245 -19.710 -15.242 1.00 0.00 N ATOM 2096 CA GLU A 135 0.979 -20.935 -15.535 1.00 0.00 C ATOM 2097 C GLU A 135 2.029 -20.694 -16.616 1.00 0.00 C ATOM 2098 O GLU A 135 2.007 -19.672 -17.302 1.00 0.00 O ATOM 2099 CB GLU A 135 0.016 -22.038 -15.981 1.00 0.00 C ATOM 2100 CG GLU A 135 -0.704 -21.729 -17.282 1.00 0.00 C ATOM 2101 CD GLU A 135 -1.898 -20.815 -17.085 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -2.613 -20.984 -16.075 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -2.118 -19.932 -17.940 1.00 0.00 O ATOM 0 H GLU A 135 -0.267 -19.324 -16.036 1.00 0.00 H new ATOM 0 HA GLU A 135 1.486 -21.252 -14.624 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.571 -22.969 -16.095 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.723 -22.202 -15.197 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -0.006 -21.264 -17.978 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.036 -22.661 -17.739 1.00 0.00 H new ATOM 2110 N LEU A 136 2.947 -21.643 -16.762 1.00 0.00 N ATOM 2111 CA LEU A 136 4.007 -21.536 -17.758 1.00 0.00 C ATOM 2112 C LEU A 136 3.552 -22.100 -19.101 1.00 0.00 C ATOM 2113 O LEU A 136 3.463 -23.315 -19.277 1.00 0.00 O ATOM 2114 CB LEU A 136 5.260 -22.272 -17.281 1.00 0.00 C ATOM 2115 CG LEU A 136 5.862 -21.787 -15.962 1.00 0.00 C ATOM 2116 CD1 LEU A 136 5.130 -22.404 -14.781 1.00 0.00 C ATOM 2117 CD2 LEU A 136 7.347 -22.115 -15.902 1.00 0.00 C ATOM 0 H LEU A 136 2.979 -22.496 -16.203 1.00 0.00 H new ATOM 0 HA LEU A 136 4.242 -20.480 -17.889 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.019 -23.330 -17.180 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.022 -22.191 -18.056 1.00 0.00 H new ATOM 0 HG LEU A 136 5.746 -20.705 -15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.573 -22.047 -13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.079 -22.119 -14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.213 -23.490 -14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.760 -21.763 -14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.485 -23.194 -15.979 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.862 -21.624 -16.728 1.00 0.00 H new ATOM 2129 N VAL A 137 3.266 -21.209 -20.045 1.00 0.00 N ATOM 2130 CA VAL A 137 2.823 -21.617 -21.372 1.00 0.00 C ATOM 2131 C VAL A 137 4.009 -21.835 -22.305 1.00 0.00 C ATOM 2132 O VAL A 137 3.877 -21.622 -23.509 1.00 0.00 O ATOM 2133 CB VAL A 137 1.880 -20.571 -21.996 1.00 0.00 C ATOM 2134 CG1 VAL A 137 0.559 -20.527 -21.244 1.00 0.00 C ATOM 2135 CG2 VAL A 137 2.540 -19.201 -22.011 1.00 0.00 C ATOM 0 H VAL A 137 3.333 -20.200 -19.915 1.00 0.00 H new ATOM 0 HA VAL A 137 2.283 -22.556 -21.250 1.00 0.00 H new ATOM 0 HB VAL A 137 1.674 -20.861 -23.026 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.094 -19.782 -21.699 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.081 -21.506 -21.290 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.742 -20.261 -20.203 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.860 -18.474 -22.455 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.777 -18.900 -20.990 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.457 -19.245 -22.598 1.00 0.00 H new