USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 628 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 22 MET CE :methyl -145:sc= -5.47! (180deg=-8.46!) USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= -0.0834 (180deg=-0.949) USER MOD Single : A 26 ASN : amide:sc= -1.07! C(o=-1.1!,f=-9.7!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.71! C(o=-4.7!,f=-4.6!) USER MOD Single : A 36 HIS : no HD1:sc= -3.57! K(o=-3.6!,f=-2.1) USER MOD Single : A 46 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-6.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -9.75! C(o=-9.8!,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.557 (180deg=-1.21) USER MOD Single : A 80 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.7) USER MOD Single : A 82 ASN : amide:sc= -0.0515 X(o=-0.052,f=-0.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 170:sc= -3.24! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 1.523 12.500 0.539 1.00 0.00 N ATOM 26 CA GLU A 19 1.511 11.621 -0.659 1.00 0.00 C ATOM 27 C GLU A 19 0.238 10.780 -0.670 1.00 0.00 C ATOM 28 O GLU A 19 -0.369 10.557 -1.699 1.00 0.00 O ATOM 29 CB GLU A 19 2.739 10.724 -0.509 1.00 0.00 C ATOM 30 CG GLU A 19 4.009 11.556 -0.694 1.00 0.00 C ATOM 31 CD GLU A 19 3.883 12.405 -1.960 1.00 0.00 C ATOM 32 OE1 GLU A 19 3.251 11.947 -2.898 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.420 13.500 -1.971 1.00 0.00 O ATOM 0 HA GLU A 19 1.534 12.188 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.740 10.254 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.708 9.921 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.165 12.198 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.878 10.902 -0.767 1.00 0.00 H new ATOM 40 N PHE A 20 -0.164 10.302 0.474 1.00 0.00 N ATOM 41 CA PHE A 20 -1.390 9.462 0.545 1.00 0.00 C ATOM 42 C PHE A 20 -2.370 10.037 1.575 1.00 0.00 C ATOM 43 O PHE A 20 -2.024 10.896 2.358 1.00 0.00 O ATOM 44 CB PHE A 20 -0.862 8.090 0.955 1.00 0.00 C ATOM 45 CG PHE A 20 0.181 7.670 -0.057 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.222 7.061 -1.252 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.546 7.913 0.179 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.731 6.693 -2.207 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.496 7.539 -0.780 1.00 0.00 C ATOM 50 CZ PHE A 20 2.089 6.932 -1.972 1.00 0.00 C ATOM 0 H PHE A 20 0.306 10.458 1.366 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.947 9.419 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.429 8.131 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.674 7.364 0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.270 6.875 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.861 8.387 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.418 6.223 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.545 7.720 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.823 6.648 -2.711 1.00 0.00 H new ATOM 60 N ARG A 21 -3.599 9.590 1.565 1.00 0.00 N ATOM 61 CA ARG A 21 -4.598 10.137 2.533 1.00 0.00 C ATOM 62 C ARG A 21 -4.563 9.373 3.857 1.00 0.00 C ATOM 63 O ARG A 21 -4.498 9.957 4.920 1.00 0.00 O ATOM 64 CB ARG A 21 -5.955 9.945 1.858 1.00 0.00 C ATOM 65 CG ARG A 21 -6.098 10.941 0.709 1.00 0.00 C ATOM 66 CD ARG A 21 -5.577 10.303 -0.578 1.00 0.00 C ATOM 67 NE ARG A 21 -6.124 11.149 -1.676 1.00 0.00 N ATOM 68 CZ ARG A 21 -7.403 11.405 -1.728 1.00 0.00 C ATOM 69 NH1 ARG A 21 -8.257 10.541 -1.257 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.827 12.527 -2.243 1.00 0.00 N ATOM 0 H ARG A 21 -3.954 8.873 0.932 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.391 11.181 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.046 8.926 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.757 10.091 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.143 11.229 0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.540 11.851 0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.487 10.287 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.913 9.270 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.499 11.528 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.926 9.667 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.257 10.739 -1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.158 13.206 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.827 12.724 -2.282 1.00 0.00 H new ATOM 84 N MET A 22 -4.624 8.073 3.804 1.00 0.00 N ATOM 85 CA MET A 22 -4.614 7.281 5.065 1.00 0.00 C ATOM 86 C MET A 22 -3.193 7.153 5.609 1.00 0.00 C ATOM 87 O MET A 22 -2.227 7.191 4.872 1.00 0.00 O ATOM 88 CB MET A 22 -5.166 5.914 4.674 1.00 0.00 C ATOM 89 CG MET A 22 -6.538 6.088 4.026 1.00 0.00 C ATOM 90 SD MET A 22 -7.257 4.462 3.702 1.00 0.00 S ATOM 91 CE MET A 22 -7.231 4.570 1.898 1.00 0.00 C ATOM 0 H MET A 22 -4.680 7.525 2.945 1.00 0.00 H new ATOM 0 HA MET A 22 -5.205 7.752 5.850 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.485 5.419 3.982 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.245 5.276 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.192 6.663 4.681 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.445 6.649 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.104 4.060 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.248 5.617 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.325 4.098 1.518 1.00 0.00 H new ATOM 101 N GLU A 23 -3.059 7.002 6.897 1.00 0.00 N ATOM 102 CA GLU A 23 -1.702 6.872 7.492 1.00 0.00 C ATOM 103 C GLU A 23 -1.082 5.531 7.094 1.00 0.00 C ATOM 104 O GLU A 23 0.109 5.334 7.205 1.00 0.00 O ATOM 105 CB GLU A 23 -1.928 6.951 9.001 1.00 0.00 C ATOM 106 CG GLU A 23 -0.678 6.468 9.739 1.00 0.00 C ATOM 107 CD GLU A 23 -0.985 5.154 10.459 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.960 4.123 9.805 1.00 0.00 O ATOM 109 OE2 GLU A 23 -1.239 5.199 11.650 1.00 0.00 O ATOM 0 H GLU A 23 -3.831 6.963 7.562 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.015 7.645 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.159 7.976 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.786 6.340 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.141 6.326 9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.353 7.221 10.457 1.00 0.00 H new ATOM 116 N LYS A 24 -1.875 4.609 6.615 1.00 0.00 N ATOM 117 CA LYS A 24 -1.303 3.298 6.198 1.00 0.00 C ATOM 118 C LYS A 24 -0.426 3.512 4.958 1.00 0.00 C ATOM 119 O LYS A 24 0.721 3.114 4.919 1.00 0.00 O ATOM 120 CB LYS A 24 -2.520 2.391 5.923 1.00 0.00 C ATOM 121 CG LYS A 24 -2.783 2.234 4.417 1.00 0.00 C ATOM 122 CD LYS A 24 -3.693 1.025 4.183 1.00 0.00 C ATOM 123 CE LYS A 24 -5.147 1.486 4.092 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.637 1.483 5.498 1.00 0.00 N ATOM 0 H LYS A 24 -2.883 4.706 6.496 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.663 2.838 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.351 1.410 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.403 2.811 6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.250 3.136 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.841 2.103 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.405 0.513 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.579 0.308 4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.220 2.480 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.736 0.815 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.492 0.895 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.900 1.096 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.861 2.456 5.790 1.00 0.00 H new ATOM 138 N LEU A 25 -0.954 4.162 3.953 1.00 0.00 N ATOM 139 CA LEU A 25 -0.140 4.425 2.732 1.00 0.00 C ATOM 140 C LEU A 25 0.997 5.376 3.086 1.00 0.00 C ATOM 141 O LEU A 25 2.116 5.202 2.664 1.00 0.00 O ATOM 142 CB LEU A 25 -1.087 5.098 1.739 1.00 0.00 C ATOM 143 CG LEU A 25 -2.213 4.147 1.325 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.723 4.566 -0.048 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.703 2.706 1.240 1.00 0.00 C ATOM 0 H LEU A 25 -1.909 4.520 3.926 1.00 0.00 H new ATOM 0 HA LEU A 25 0.291 3.513 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.511 5.997 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.530 5.414 0.857 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.008 4.196 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.526 3.897 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.099 5.588 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.909 4.513 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.520 2.048 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.903 2.646 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.322 2.397 2.213 1.00 0.00 H new ATOM 157 N ASN A 26 0.713 6.381 3.863 1.00 0.00 N ATOM 158 CA ASN A 26 1.783 7.340 4.256 1.00 0.00 C ATOM 159 C ASN A 26 2.851 6.604 5.061 1.00 0.00 C ATOM 160 O ASN A 26 4.009 6.967 5.060 1.00 0.00 O ATOM 161 CB ASN A 26 1.083 8.376 5.134 1.00 0.00 C ATOM 162 CG ASN A 26 0.343 9.382 4.259 1.00 0.00 C ATOM 163 OD1 ASN A 26 0.648 9.529 3.094 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.625 10.086 4.777 1.00 0.00 N ATOM 0 H ASN A 26 -0.212 6.581 4.243 1.00 0.00 H new ATOM 0 HA ASN A 26 2.272 7.799 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.383 7.882 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.814 8.891 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.128 10.762 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.879 9.960 5.757 1.00 0.00 H new ATOM 171 N GLN A 27 2.460 5.566 5.749 1.00 0.00 N ATOM 172 CA GLN A 27 3.436 4.790 6.565 1.00 0.00 C ATOM 173 C GLN A 27 4.262 3.874 5.663 1.00 0.00 C ATOM 174 O GLN A 27 5.441 3.675 5.876 1.00 0.00 O ATOM 175 CB GLN A 27 2.577 3.970 7.523 1.00 0.00 C ATOM 176 CG GLN A 27 2.481 4.694 8.865 1.00 0.00 C ATOM 177 CD GLN A 27 2.993 3.775 9.973 1.00 0.00 C ATOM 178 OE1 GLN A 27 4.177 3.511 10.060 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.146 3.266 10.826 1.00 0.00 N ATOM 0 H GLN A 27 1.501 5.221 5.781 1.00 0.00 H new ATOM 0 HA GLN A 27 4.140 5.431 7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.581 3.825 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.011 2.980 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.068 5.612 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.448 4.981 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.153 3.488 10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.477 2.647 11.566 1.00 0.00 H new ATOM 188 N LEU A 28 3.656 3.318 4.653 1.00 0.00 N ATOM 189 CA LEU A 28 4.413 2.424 3.734 1.00 0.00 C ATOM 190 C LEU A 28 5.398 3.256 2.914 1.00 0.00 C ATOM 191 O LEU A 28 6.537 2.884 2.715 1.00 0.00 O ATOM 192 CB LEU A 28 3.348 1.795 2.829 1.00 0.00 C ATOM 193 CG LEU A 28 3.378 0.274 2.981 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.272 -0.166 3.944 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.152 -0.374 1.613 1.00 0.00 C ATOM 0 H LEU A 28 2.670 3.443 4.424 1.00 0.00 H new ATOM 0 HA LEU A 28 4.991 1.665 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.362 2.177 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.530 2.070 1.790 1.00 0.00 H new ATOM 0 HG LEU A 28 4.345 -0.035 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.294 -1.250 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.431 0.299 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.303 0.140 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.173 -1.459 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.183 -0.065 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.939 -0.060 0.927 1.00 0.00 H new ATOM 207 N TRP A 29 4.960 4.391 2.455 1.00 0.00 N ATOM 208 CA TRP A 29 5.842 5.279 1.660 1.00 0.00 C ATOM 209 C TRP A 29 6.950 5.834 2.560 1.00 0.00 C ATOM 210 O TRP A 29 8.125 5.662 2.291 1.00 0.00 O ATOM 211 CB TRP A 29 4.896 6.378 1.181 1.00 0.00 C ATOM 212 CG TRP A 29 5.641 7.413 0.413 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.596 8.736 0.666 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.515 7.242 -0.738 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.404 9.394 -0.243 1.00 0.00 N ATOM 216 CE2 TRP A 29 6.989 8.516 -1.132 1.00 0.00 C ATOM 217 CE3 TRP A 29 6.944 6.120 -1.467 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.855 8.670 -2.213 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.814 6.271 -2.558 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.268 7.544 -2.929 1.00 0.00 C ATOM 0 H TRP A 29 4.014 4.745 2.600 1.00 0.00 H new ATOM 0 HA TRP A 29 6.345 4.784 0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.115 5.946 0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.402 6.838 2.037 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.022 9.206 1.451 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.549 10.404 -0.255 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.602 5.135 -1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.204 9.652 -2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.135 5.403 -3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.938 7.654 -3.769 1.00 0.00 H new ATOM 231 N GLU A 30 6.593 6.478 3.641 1.00 0.00 N ATOM 232 CA GLU A 30 7.636 7.010 4.553 1.00 0.00 C ATOM 233 C GLU A 30 8.569 5.870 4.959 1.00 0.00 C ATOM 234 O GLU A 30 9.764 6.045 5.085 1.00 0.00 O ATOM 235 CB GLU A 30 6.885 7.555 5.769 1.00 0.00 C ATOM 236 CG GLU A 30 6.674 9.062 5.602 1.00 0.00 C ATOM 237 CD GLU A 30 6.473 9.706 6.976 1.00 0.00 C ATOM 238 OE1 GLU A 30 5.635 9.222 7.718 1.00 0.00 O ATOM 239 OE2 GLU A 30 7.162 10.672 7.260 1.00 0.00 O ATOM 0 H GLU A 30 5.630 6.655 3.926 1.00 0.00 H new ATOM 0 HA GLU A 30 8.242 7.788 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.924 7.051 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.450 7.354 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.535 9.507 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.806 9.250 4.970 1.00 0.00 H new ATOM 246 N LYS A 31 8.030 4.692 5.137 1.00 0.00 N ATOM 247 CA LYS A 31 8.886 3.531 5.500 1.00 0.00 C ATOM 248 C LYS A 31 9.915 3.340 4.388 1.00 0.00 C ATOM 249 O LYS A 31 11.107 3.225 4.624 1.00 0.00 O ATOM 250 CB LYS A 31 7.907 2.353 5.584 1.00 0.00 C ATOM 251 CG LYS A 31 8.637 1.021 5.407 1.00 0.00 C ATOM 252 CD LYS A 31 8.740 0.316 6.755 1.00 0.00 C ATOM 253 CE LYS A 31 10.123 0.577 7.338 1.00 0.00 C ATOM 254 NZ LYS A 31 10.234 -0.342 8.505 1.00 0.00 N ATOM 0 H LYS A 31 7.035 4.487 5.046 1.00 0.00 H new ATOM 0 HA LYS A 31 9.436 3.646 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.397 2.367 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.141 2.457 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.102 0.392 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.632 1.191 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.969 0.682 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.576 -0.755 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.904 0.378 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.231 1.617 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.162 -0.218 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.483 -0.125 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.135 -1.326 8.183 1.00 0.00 H new ATOM 268 N ALA A 32 9.463 3.332 3.166 1.00 0.00 N ATOM 269 CA ALA A 32 10.404 3.184 2.035 1.00 0.00 C ATOM 270 C ALA A 32 11.500 4.239 2.169 1.00 0.00 C ATOM 271 O ALA A 32 12.671 3.964 1.998 1.00 0.00 O ATOM 272 CB ALA A 32 9.561 3.429 0.786 1.00 0.00 C ATOM 0 H ALA A 32 8.481 3.422 2.907 1.00 0.00 H new ATOM 0 HA ALA A 32 10.887 2.208 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.189 3.337 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.757 2.694 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.134 4.431 0.826 1.00 0.00 H new ATOM 278 N GLN A 33 11.122 5.448 2.496 1.00 0.00 N ATOM 279 CA GLN A 33 12.135 6.525 2.669 1.00 0.00 C ATOM 280 C GLN A 33 13.078 6.154 3.814 1.00 0.00 C ATOM 281 O GLN A 33 14.254 6.462 3.791 1.00 0.00 O ATOM 282 CB GLN A 33 11.328 7.774 3.016 1.00 0.00 C ATOM 283 CG GLN A 33 10.468 8.162 1.816 1.00 0.00 C ATOM 284 CD GLN A 33 9.300 9.032 2.279 1.00 0.00 C ATOM 285 OE1 GLN A 33 9.437 9.819 3.195 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.148 8.920 1.680 1.00 0.00 N ATOM 0 H GLN A 33 10.155 5.733 2.650 1.00 0.00 H new ATOM 0 HA GLN A 33 12.747 6.678 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.698 7.585 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.997 8.593 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.069 8.703 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.093 7.267 1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.035 8.259 0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.359 9.493 1.980 1.00 0.00 H new ATOM 295 N ARG A 34 12.570 5.479 4.810 1.00 0.00 N ATOM 296 CA ARG A 34 13.432 5.067 5.951 1.00 0.00 C ATOM 297 C ARG A 34 14.460 4.051 5.456 1.00 0.00 C ATOM 298 O ARG A 34 15.580 4.008 5.920 1.00 0.00 O ATOM 299 CB ARG A 34 12.482 4.424 6.962 1.00 0.00 C ATOM 300 CG ARG A 34 12.117 5.440 8.045 1.00 0.00 C ATOM 301 CD ARG A 34 11.611 4.702 9.286 1.00 0.00 C ATOM 302 NE ARG A 34 12.813 4.526 10.148 1.00 0.00 N ATOM 303 CZ ARG A 34 13.105 5.419 11.054 1.00 0.00 C ATOM 304 NH1 ARG A 34 13.805 6.472 10.733 1.00 0.00 N ATOM 305 NH2 ARG A 34 12.695 5.258 12.283 1.00 0.00 N ATOM 0 H ARG A 34 11.593 5.195 4.881 1.00 0.00 H new ATOM 0 HA ARG A 34 13.976 5.901 6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.581 4.076 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.953 3.550 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.987 6.046 8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.350 6.121 7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.839 5.276 9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.171 3.740 9.021 1.00 0.00 H new ATOM 0 HE ARG A 34 13.409 3.706 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.125 6.598 9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.032 7.169 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.147 4.435 12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.923 5.955 12.992 1.00 0.00 H new ATOM 319 N LEU A 35 14.083 3.241 4.505 1.00 0.00 N ATOM 320 CA LEU A 35 15.041 2.234 3.960 1.00 0.00 C ATOM 321 C LEU A 35 16.009 2.916 2.986 1.00 0.00 C ATOM 322 O LEU A 35 16.946 2.312 2.500 1.00 0.00 O ATOM 323 CB LEU A 35 14.173 1.217 3.221 1.00 0.00 C ATOM 324 CG LEU A 35 13.516 0.277 4.233 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.116 0.791 4.573 1.00 0.00 C ATOM 326 CD2 LEU A 35 13.415 -1.126 3.630 1.00 0.00 C ATOM 0 H LEU A 35 13.155 3.232 4.082 1.00 0.00 H new ATOM 0 HA LEU A 35 15.640 1.764 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.410 1.731 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.781 0.646 2.519 1.00 0.00 H new ATOM 0 HG LEU A 35 14.117 0.240 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.648 0.121 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.189 1.791 5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.512 0.828 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.947 -1.798 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.813 -1.089 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.413 -1.491 3.388 1.00 0.00 H new ATOM 338 N HIS A 36 15.783 4.170 2.700 1.00 0.00 N ATOM 339 CA HIS A 36 16.676 4.907 1.760 1.00 0.00 C ATOM 340 C HIS A 36 16.651 4.267 0.373 1.00 0.00 C ATOM 341 O HIS A 36 17.602 4.372 -0.376 1.00 0.00 O ATOM 342 CB HIS A 36 18.077 4.818 2.366 1.00 0.00 C ATOM 343 CG HIS A 36 18.040 5.320 3.780 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.208 6.660 4.094 1.00 0.00 N ATOM 345 CD2 HIS A 36 17.851 4.675 4.975 1.00 0.00 C ATOM 346 CE1 HIS A 36 18.118 6.777 5.431 1.00 0.00 C ATOM 347 NE2 HIS A 36 17.900 5.597 6.019 1.00 0.00 N ATOM 0 H HIS A 36 15.012 4.719 3.080 1.00 0.00 H new ATOM 0 HA HIS A 36 16.355 5.941 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.430 3.787 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.779 5.409 1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.689 3.613 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.211 7.711 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.793 5.411 7.016 1.00 0.00 H new ATOM 355 N LEU A 37 15.571 3.622 0.013 1.00 0.00 N ATOM 356 CA LEU A 37 15.502 3.004 -1.343 1.00 0.00 C ATOM 357 C LEU A 37 16.071 3.994 -2.361 1.00 0.00 C ATOM 358 O LEU A 37 16.153 5.174 -2.086 1.00 0.00 O ATOM 359 CB LEU A 37 14.006 2.806 -1.634 1.00 0.00 C ATOM 360 CG LEU A 37 13.438 1.603 -0.873 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.917 1.597 -1.028 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.986 0.302 -1.456 1.00 0.00 C ATOM 0 H LEU A 37 14.742 3.498 0.594 1.00 0.00 H new ATOM 0 HA LEU A 37 16.059 2.069 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.458 3.706 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.859 2.663 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 37 13.722 1.679 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.500 0.745 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.506 2.520 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.659 1.521 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.575 -0.545 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.702 0.226 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.073 0.295 -1.373 1.00 0.00 H new ATOM 374 N PRO A 38 16.408 3.499 -3.515 1.00 0.00 N ATOM 375 CA PRO A 38 16.914 4.391 -4.580 1.00 0.00 C ATOM 376 C PRO A 38 15.722 5.178 -5.139 1.00 0.00 C ATOM 377 O PRO A 38 14.598 4.941 -4.743 1.00 0.00 O ATOM 378 CB PRO A 38 17.498 3.426 -5.608 1.00 0.00 C ATOM 379 CG PRO A 38 16.783 2.130 -5.384 1.00 0.00 C ATOM 380 CD PRO A 38 16.362 2.096 -3.933 1.00 0.00 C ATOM 0 HA PRO A 38 17.658 5.120 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.342 3.791 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.573 3.310 -5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.915 2.052 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.434 1.287 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.362 1.678 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.035 1.480 -3.337 1.00 0.00 H new ATOM 388 N PRO A 39 15.985 6.092 -6.031 1.00 0.00 N ATOM 389 CA PRO A 39 14.885 6.904 -6.615 1.00 0.00 C ATOM 390 C PRO A 39 13.952 6.013 -7.441 1.00 0.00 C ATOM 391 O PRO A 39 12.768 5.919 -7.173 1.00 0.00 O ATOM 392 CB PRO A 39 15.619 7.923 -7.484 1.00 0.00 C ATOM 393 CG PRO A 39 16.932 7.279 -7.796 1.00 0.00 C ATOM 394 CD PRO A 39 17.291 6.453 -6.588 1.00 0.00 C ATOM 0 HA PRO A 39 14.249 7.383 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.060 8.144 -8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.756 8.867 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.858 6.655 -8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.696 8.030 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.870 5.571 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.890 7.020 -5.876 1.00 0.00 H new ATOM 402 N VAL A 40 14.478 5.347 -8.427 1.00 0.00 N ATOM 403 CA VAL A 40 13.629 4.445 -9.255 1.00 0.00 C ATOM 404 C VAL A 40 12.733 3.604 -8.348 1.00 0.00 C ATOM 405 O VAL A 40 11.582 3.343 -8.641 1.00 0.00 O ATOM 406 CB VAL A 40 14.630 3.543 -9.975 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.267 2.584 -8.962 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.907 2.737 -11.056 1.00 0.00 C ATOM 0 H VAL A 40 15.461 5.387 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 40 12.981 4.988 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 40 15.405 4.154 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.982 1.938 -9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.782 3.158 -8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.491 1.973 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.622 2.094 -11.569 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.132 2.124 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.451 3.419 -11.774 1.00 0.00 H new ATOM 418 N ARG A 41 13.280 3.166 -7.253 1.00 0.00 N ATOM 419 CA ARG A 41 12.521 2.322 -6.304 1.00 0.00 C ATOM 420 C ARG A 41 11.381 3.106 -5.663 1.00 0.00 C ATOM 421 O ARG A 41 10.268 2.635 -5.575 1.00 0.00 O ATOM 422 CB ARG A 41 13.565 1.947 -5.260 1.00 0.00 C ATOM 423 CG ARG A 41 14.111 0.554 -5.557 1.00 0.00 C ATOM 424 CD ARG A 41 13.240 -0.474 -4.875 1.00 0.00 C ATOM 425 NE ARG A 41 11.998 -0.427 -5.666 1.00 0.00 N ATOM 426 CZ ARG A 41 11.672 -1.427 -6.436 1.00 0.00 C ATOM 427 NH1 ARG A 41 11.801 -2.651 -6.004 1.00 0.00 N ATOM 428 NH2 ARG A 41 11.218 -1.204 -7.640 1.00 0.00 N ATOM 0 H ARG A 41 14.241 3.363 -6.973 1.00 0.00 H new ATOM 0 HA ARG A 41 12.057 1.459 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.376 2.675 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.122 1.970 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.128 0.378 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.139 0.470 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.694 -1.465 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.063 -0.224 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 41 11.391 0.391 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.157 -2.825 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.546 -3.434 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.118 -0.247 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.963 -1.987 -8.242 1.00 0.00 H new ATOM 442 N LEU A 42 11.648 4.295 -5.209 1.00 0.00 N ATOM 443 CA LEU A 42 10.568 5.096 -4.571 1.00 0.00 C ATOM 444 C LEU A 42 9.589 5.575 -5.636 1.00 0.00 C ATOM 445 O LEU A 42 8.498 6.017 -5.339 1.00 0.00 O ATOM 446 CB LEU A 42 11.278 6.272 -3.917 1.00 0.00 C ATOM 447 CG LEU A 42 12.252 5.739 -2.875 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.558 6.528 -2.961 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.642 5.902 -1.479 1.00 0.00 C ATOM 0 H LEU A 42 12.562 4.746 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 42 9.994 4.523 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.811 6.856 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.553 6.938 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 42 12.451 4.683 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.260 6.151 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.987 6.413 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.359 7.583 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.338 5.521 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.446 6.957 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.707 5.344 -1.423 1.00 0.00 H new ATOM 461 N ALA A 43 9.965 5.481 -6.880 1.00 0.00 N ATOM 462 CA ALA A 43 9.042 5.916 -7.961 1.00 0.00 C ATOM 463 C ALA A 43 8.066 4.785 -8.273 1.00 0.00 C ATOM 464 O ALA A 43 6.866 4.981 -8.320 1.00 0.00 O ATOM 465 CB ALA A 43 9.938 6.211 -9.159 1.00 0.00 C ATOM 0 H ALA A 43 10.867 5.123 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 43 8.450 6.790 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.326 6.539 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.647 6.997 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.482 5.309 -9.437 1.00 0.00 H new ATOM 471 N GLU A 44 8.563 3.591 -8.461 1.00 0.00 N ATOM 472 CA GLU A 44 7.646 2.453 -8.736 1.00 0.00 C ATOM 473 C GLU A 44 6.828 2.178 -7.477 1.00 0.00 C ATOM 474 O GLU A 44 5.658 1.851 -7.531 1.00 0.00 O ATOM 475 CB GLU A 44 8.559 1.271 -9.064 1.00 0.00 C ATOM 476 CG GLU A 44 9.215 1.497 -10.426 1.00 0.00 C ATOM 477 CD GLU A 44 9.357 0.158 -11.153 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.517 -0.700 -10.940 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.302 0.014 -11.913 1.00 0.00 O ATOM 0 H GLU A 44 9.556 3.358 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 44 6.950 2.646 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.323 1.163 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.984 0.345 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.614 2.184 -11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.194 1.959 -10.298 1.00 0.00 H new ATOM 486 N LEU A 45 7.445 2.336 -6.337 1.00 0.00 N ATOM 487 CA LEU A 45 6.724 2.118 -5.055 1.00 0.00 C ATOM 488 C LEU A 45 5.662 3.198 -4.899 1.00 0.00 C ATOM 489 O LEU A 45 4.505 2.911 -4.696 1.00 0.00 O ATOM 490 CB LEU A 45 7.797 2.246 -3.967 1.00 0.00 C ATOM 491 CG LEU A 45 7.153 2.594 -2.617 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.448 1.362 -2.034 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.240 3.052 -1.651 1.00 0.00 C ATOM 0 H LEU A 45 8.423 2.608 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 45 6.223 1.151 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.351 1.311 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.515 3.018 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 45 6.420 3.388 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.995 1.621 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.673 1.026 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.174 0.563 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.791 3.301 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.967 2.251 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.740 3.931 -2.057 1.00 0.00 H new ATOM 505 N HIS A 46 6.046 4.442 -4.996 1.00 0.00 N ATOM 506 CA HIS A 46 5.045 5.533 -4.856 1.00 0.00 C ATOM 507 C HIS A 46 3.895 5.300 -5.832 1.00 0.00 C ATOM 508 O HIS A 46 2.747 5.532 -5.515 1.00 0.00 O ATOM 509 CB HIS A 46 5.785 6.824 -5.201 1.00 0.00 C ATOM 510 CG HIS A 46 4.906 7.990 -4.842 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.856 8.400 -5.647 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.887 8.821 -3.751 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.254 9.433 -5.033 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.844 9.733 -3.873 1.00 0.00 N ATOM 0 H HIS A 46 7.005 4.747 -5.165 1.00 0.00 H new ATOM 0 HA HIS A 46 4.622 5.576 -3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.727 6.878 -4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.030 6.848 -6.263 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.578 8.774 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.397 9.957 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.586 10.471 -3.218 1.00 0.00 H new ATOM 522 N ALA A 47 4.191 4.833 -7.013 1.00 0.00 N ATOM 523 CA ALA A 47 3.107 4.572 -7.996 1.00 0.00 C ATOM 524 C ALA A 47 2.216 3.442 -7.478 1.00 0.00 C ATOM 525 O ALA A 47 1.006 3.487 -7.589 1.00 0.00 O ATOM 526 CB ALA A 47 3.826 4.152 -9.279 1.00 0.00 C ATOM 0 H ALA A 47 5.135 4.622 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 47 2.468 5.439 -8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.091 3.941 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.482 4.958 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.418 3.257 -9.088 1.00 0.00 H new ATOM 532 N ASP A 48 2.811 2.432 -6.903 1.00 0.00 N ATOM 533 CA ASP A 48 2.007 1.298 -6.365 1.00 0.00 C ATOM 534 C ASP A 48 1.185 1.758 -5.158 1.00 0.00 C ATOM 535 O ASP A 48 0.120 1.239 -4.886 1.00 0.00 O ATOM 536 CB ASP A 48 3.035 0.253 -5.942 1.00 0.00 C ATOM 537 CG ASP A 48 2.801 -1.043 -6.720 1.00 0.00 C ATOM 538 OD1 ASP A 48 2.389 -0.956 -7.864 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.036 -2.100 -6.156 1.00 0.00 O ATOM 0 H ASP A 48 3.820 2.343 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 48 1.303 0.906 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.043 0.624 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.958 0.065 -4.871 1.00 0.00 H new ATOM 544 N LEU A 49 1.664 2.738 -4.440 1.00 0.00 N ATOM 545 CA LEU A 49 0.905 3.236 -3.268 1.00 0.00 C ATOM 546 C LEU A 49 -0.236 4.101 -3.762 1.00 0.00 C ATOM 547 O LEU A 49 -1.308 4.104 -3.203 1.00 0.00 O ATOM 548 CB LEU A 49 1.903 4.068 -2.468 1.00 0.00 C ATOM 549 CG LEU A 49 3.048 3.174 -2.008 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.067 4.010 -1.235 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.489 2.071 -1.108 1.00 0.00 C ATOM 0 H LEU A 49 2.549 3.212 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 49 0.482 2.436 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.287 4.884 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.410 4.520 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 49 3.538 2.724 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.887 3.371 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.457 4.797 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.585 4.459 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.302 1.427 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.003 2.520 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.763 1.480 -1.666 1.00 0.00 H new ATOM 563 N LYS A 50 -0.012 4.827 -4.822 1.00 0.00 N ATOM 564 CA LYS A 50 -1.088 5.683 -5.372 1.00 0.00 C ATOM 565 C LYS A 50 -2.198 4.782 -5.900 1.00 0.00 C ATOM 566 O LYS A 50 -3.366 5.007 -5.664 1.00 0.00 O ATOM 567 CB LYS A 50 -0.442 6.474 -6.509 1.00 0.00 C ATOM 568 CG LYS A 50 0.436 7.585 -5.928 1.00 0.00 C ATOM 569 CD LYS A 50 -0.378 8.418 -4.934 1.00 0.00 C ATOM 570 CE LYS A 50 -1.737 8.766 -5.545 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.977 10.184 -5.163 1.00 0.00 N ATOM 0 H LYS A 50 0.873 4.861 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.522 6.355 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.158 5.811 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.212 6.903 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.304 7.153 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.812 8.222 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.517 7.862 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.162 9.330 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.726 8.645 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.522 8.115 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.892 10.497 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.989 10.267 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.218 10.781 -5.549 1.00 0.00 H new ATOM 585 N ILE A 51 -1.833 3.741 -6.597 1.00 0.00 N ATOM 586 CA ILE A 51 -2.860 2.803 -7.116 1.00 0.00 C ATOM 587 C ILE A 51 -3.581 2.159 -5.932 1.00 0.00 C ATOM 588 O ILE A 51 -4.796 2.084 -5.894 1.00 0.00 O ATOM 589 CB ILE A 51 -2.075 1.765 -7.916 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.453 2.435 -9.145 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.011 0.646 -8.367 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.507 3.291 -9.853 1.00 0.00 C ATOM 0 H ILE A 51 -0.869 3.502 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.616 3.286 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.288 1.346 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.608 3.055 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.066 1.678 -9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.447 -0.092 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.454 0.168 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.801 1.062 -8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.062 3.767 -10.727 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.338 2.659 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.872 4.057 -9.169 1.00 0.00 H new ATOM 604 N GLN A 52 -2.841 1.720 -4.944 1.00 0.00 N ATOM 605 CA GLN A 52 -3.491 1.114 -3.752 1.00 0.00 C ATOM 606 C GLN A 52 -4.249 2.203 -3.000 1.00 0.00 C ATOM 607 O GLN A 52 -5.152 1.936 -2.231 1.00 0.00 O ATOM 608 CB GLN A 52 -2.345 0.568 -2.895 1.00 0.00 C ATOM 609 CG GLN A 52 -2.912 -0.052 -1.616 1.00 0.00 C ATOM 610 CD GLN A 52 -3.806 -1.237 -1.978 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.727 -1.762 -3.070 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.662 -1.685 -1.102 1.00 0.00 N ATOM 0 H GLN A 52 -1.822 1.757 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.199 0.327 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.782 -0.179 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.650 1.370 -2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.100 -0.380 -0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.483 0.692 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.730 -1.245 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.264 -2.475 -1.335 1.00 0.00 H new ATOM 621 N GLU A 53 -3.895 3.439 -3.230 1.00 0.00 N ATOM 622 CA GLU A 53 -4.602 4.547 -2.544 1.00 0.00 C ATOM 623 C GLU A 53 -5.994 4.688 -3.147 1.00 0.00 C ATOM 624 O GLU A 53 -6.980 4.491 -2.484 1.00 0.00 O ATOM 625 CB GLU A 53 -3.760 5.796 -2.809 1.00 0.00 C ATOM 626 CG GLU A 53 -4.020 6.831 -1.714 1.00 0.00 C ATOM 627 CD GLU A 53 -4.327 8.184 -2.357 1.00 0.00 C ATOM 628 OE1 GLU A 53 -5.331 8.276 -3.045 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.552 9.103 -2.154 1.00 0.00 O ATOM 0 H GLU A 53 -3.148 3.724 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.720 4.379 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.702 5.535 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.008 6.214 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.856 6.514 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.150 6.914 -1.063 1.00 0.00 H new ATOM 636 N ARG A 54 -6.080 5.002 -4.408 1.00 0.00 N ATOM 637 CA ARG A 54 -7.417 5.127 -5.052 1.00 0.00 C ATOM 638 C ARG A 54 -8.219 3.849 -4.804 1.00 0.00 C ATOM 639 O ARG A 54 -9.398 3.886 -4.510 1.00 0.00 O ATOM 640 CB ARG A 54 -7.118 5.299 -6.542 1.00 0.00 C ATOM 641 CG ARG A 54 -8.426 5.461 -7.318 1.00 0.00 C ATOM 642 CD ARG A 54 -8.254 4.909 -8.735 1.00 0.00 C ATOM 643 NE ARG A 54 -7.014 5.549 -9.253 1.00 0.00 N ATOM 644 CZ ARG A 54 -6.971 5.993 -10.479 1.00 0.00 C ATOM 645 NH1 ARG A 54 -7.032 5.155 -11.479 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.866 7.274 -10.706 1.00 0.00 N ATOM 0 H ARG A 54 -5.284 5.178 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.003 5.959 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.483 6.171 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.568 4.434 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.232 4.934 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.709 6.513 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.163 3.823 -8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.114 5.152 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.197 5.641 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.113 4.154 -11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.998 5.502 -12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.818 7.928 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.832 7.621 -11.665 1.00 0.00 H new ATOM 660 N ASP A 55 -7.579 2.717 -4.912 1.00 0.00 N ATOM 661 CA ASP A 55 -8.291 1.431 -4.675 1.00 0.00 C ATOM 662 C ASP A 55 -8.677 1.306 -3.201 1.00 0.00 C ATOM 663 O ASP A 55 -9.644 0.657 -2.855 1.00 0.00 O ATOM 664 CB ASP A 55 -7.280 0.348 -5.048 1.00 0.00 C ATOM 665 CG ASP A 55 -7.105 0.313 -6.567 1.00 0.00 C ATOM 666 OD1 ASP A 55 -6.669 1.311 -7.117 1.00 0.00 O ATOM 667 OD2 ASP A 55 -7.413 -0.710 -7.156 1.00 0.00 O ATOM 0 H ASP A 55 -6.592 2.628 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.210 1.355 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.323 0.548 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.622 -0.623 -4.688 1.00 0.00 H new ATOM 672 N GLU A 56 -7.915 1.906 -2.327 1.00 0.00 N ATOM 673 CA GLU A 56 -8.225 1.799 -0.874 1.00 0.00 C ATOM 674 C GLU A 56 -9.343 2.761 -0.455 1.00 0.00 C ATOM 675 O GLU A 56 -10.200 2.397 0.310 1.00 0.00 O ATOM 676 CB GLU A 56 -6.922 2.149 -0.157 1.00 0.00 C ATOM 677 CG GLU A 56 -6.050 0.898 -0.033 1.00 0.00 C ATOM 678 CD GLU A 56 -6.595 0.004 1.085 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.714 0.238 1.511 1.00 0.00 O ATOM 680 OE2 GLU A 56 -5.884 -0.897 1.495 1.00 0.00 O ATOM 0 H GLU A 56 -7.093 2.464 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.582 0.800 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.388 2.923 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.137 2.554 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.041 0.353 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.019 1.180 0.182 1.00 0.00 H new ATOM 687 N LEU A 57 -9.363 3.974 -0.944 1.00 0.00 N ATOM 688 CA LEU A 57 -10.456 4.900 -0.540 1.00 0.00 C ATOM 689 C LEU A 57 -11.721 4.465 -1.247 1.00 0.00 C ATOM 690 O LEU A 57 -12.792 4.442 -0.677 1.00 0.00 O ATOM 691 CB LEU A 57 -10.036 6.299 -1.001 1.00 0.00 C ATOM 692 CG LEU A 57 -8.544 6.511 -0.754 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.867 6.841 -2.082 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.350 7.672 0.223 1.00 0.00 C ATOM 0 H LEU A 57 -8.679 4.357 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.634 4.896 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.257 6.422 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.611 7.054 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.105 5.608 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.800 6.995 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.012 6.016 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.305 7.749 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.285 7.824 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.781 8.579 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.845 7.441 1.166 1.00 0.00 H new ATOM 706 N ALA A 58 -11.599 4.085 -2.487 1.00 0.00 N ATOM 707 CA ALA A 58 -12.794 3.612 -3.217 1.00 0.00 C ATOM 708 C ALA A 58 -13.312 2.365 -2.506 1.00 0.00 C ATOM 709 O ALA A 58 -14.467 2.276 -2.108 1.00 0.00 O ATOM 710 CB ALA A 58 -12.306 3.276 -4.626 1.00 0.00 C ATOM 0 H ALA A 58 -10.729 4.083 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.600 4.345 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.143 2.917 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.885 4.169 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.541 2.501 -4.571 1.00 0.00 H new ATOM 716 N TRP A 59 -12.455 1.402 -2.302 1.00 0.00 N ATOM 717 CA TRP A 59 -12.906 0.195 -1.587 1.00 0.00 C ATOM 718 C TRP A 59 -13.296 0.576 -0.163 1.00 0.00 C ATOM 719 O TRP A 59 -14.067 -0.102 0.468 1.00 0.00 O ATOM 720 CB TRP A 59 -11.732 -0.776 -1.557 1.00 0.00 C ATOM 721 CG TRP A 59 -12.077 -1.825 -0.556 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.748 -2.962 -0.829 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.838 -1.818 0.878 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.930 -3.665 0.342 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.377 -3.004 1.428 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.201 -0.910 1.748 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.290 -3.279 2.792 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.114 -1.184 3.120 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.655 -2.366 3.640 1.00 0.00 C ATOM 0 H TRP A 59 -11.479 1.405 -2.598 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.767 -0.258 -2.078 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.568 -1.217 -2.540 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.811 -0.263 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.088 -3.271 -1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.412 -4.562 0.402 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.777 0.002 1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.710 -4.191 3.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.627 -0.480 3.779 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.582 -2.573 4.697 1.00 0.00 H new ATOM 740 N LYS A 60 -12.777 1.652 0.353 1.00 0.00 N ATOM 741 CA LYS A 60 -13.160 2.044 1.733 1.00 0.00 C ATOM 742 C LYS A 60 -14.625 2.446 1.695 1.00 0.00 C ATOM 743 O LYS A 60 -15.402 2.121 2.573 1.00 0.00 O ATOM 744 CB LYS A 60 -12.263 3.224 2.100 1.00 0.00 C ATOM 745 CG LYS A 60 -10.958 2.695 2.697 1.00 0.00 C ATOM 746 CD LYS A 60 -11.137 2.438 4.189 1.00 0.00 C ATOM 747 CE LYS A 60 -10.543 3.606 4.977 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.968 2.991 6.206 1.00 0.00 N ATOM 0 H LYS A 60 -12.113 2.269 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.038 1.248 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.055 3.827 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.768 3.872 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.664 1.774 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.156 3.416 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.195 2.325 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.646 1.507 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.777 4.123 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.307 4.343 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.541 3.732 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.721 2.512 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.239 2.299 5.939 1.00 0.00 H new ATOM 762 N LYS A 61 -15.019 3.098 0.634 1.00 0.00 N ATOM 763 CA LYS A 61 -16.443 3.463 0.489 1.00 0.00 C ATOM 764 C LYS A 61 -17.213 2.155 0.409 1.00 0.00 C ATOM 765 O LYS A 61 -18.306 2.015 0.924 1.00 0.00 O ATOM 766 CB LYS A 61 -16.525 4.235 -0.829 1.00 0.00 C ATOM 767 CG LYS A 61 -17.482 5.417 -0.675 1.00 0.00 C ATOM 768 CD LYS A 61 -16.915 6.631 -1.412 1.00 0.00 C ATOM 769 CE LYS A 61 -16.986 6.390 -2.922 1.00 0.00 C ATOM 770 NZ LYS A 61 -15.955 7.293 -3.504 1.00 0.00 N ATOM 0 H LYS A 61 -14.412 3.390 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.846 4.065 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.535 4.591 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.870 3.577 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.462 5.160 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.621 5.651 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.479 7.526 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.883 6.804 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.781 5.348 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.978 6.619 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.943 7.185 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.180 8.279 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.021 7.047 -3.119 1.00 0.00 H new ATOM 784 N LEU A 62 -16.613 1.176 -0.218 1.00 0.00 N ATOM 785 CA LEU A 62 -17.267 -0.157 -0.317 1.00 0.00 C ATOM 786 C LEU A 62 -17.505 -0.716 1.088 1.00 0.00 C ATOM 787 O LEU A 62 -18.601 -1.092 1.440 1.00 0.00 O ATOM 788 CB LEU A 62 -16.271 -1.037 -1.071 1.00 0.00 C ATOM 789 CG LEU A 62 -16.787 -1.302 -2.475 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.880 -0.599 -3.487 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.787 -2.813 -2.734 1.00 0.00 C ATOM 0 H LEU A 62 -15.699 1.245 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.231 -0.110 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.299 -0.547 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.128 -1.979 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.802 -0.919 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.247 -0.787 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.882 0.474 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.864 -0.983 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.156 -3.010 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.772 -3.199 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.433 -3.307 -2.008 1.00 0.00 H new ATOM 803 N LYS A 63 -16.475 -0.760 1.890 1.00 0.00 N ATOM 804 CA LYS A 63 -16.608 -1.278 3.281 1.00 0.00 C ATOM 805 C LYS A 63 -17.750 -0.551 3.990 1.00 0.00 C ATOM 806 O LYS A 63 -18.648 -1.165 4.533 1.00 0.00 O ATOM 807 CB LYS A 63 -15.264 -0.950 3.937 1.00 0.00 C ATOM 808 CG LYS A 63 -15.164 -1.632 5.302 1.00 0.00 C ATOM 809 CD LYS A 63 -14.552 -0.656 6.309 1.00 0.00 C ATOM 810 CE LYS A 63 -13.322 -1.294 6.956 1.00 0.00 C ATOM 811 NZ LYS A 63 -13.830 -1.932 8.200 1.00 0.00 N ATOM 0 H LYS A 63 -15.535 -0.455 1.636 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.834 -2.344 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.447 -1.281 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.161 0.129 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.152 -1.947 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.551 -2.530 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.273 0.271 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.285 -0.398 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.864 -2.029 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.560 -0.547 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.043 -2.392 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.254 -1.207 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.548 -2.644 7.957 1.00 0.00 H new ATOM 825 N LEU A 64 -17.731 0.754 3.976 1.00 0.00 N ATOM 826 CA LEU A 64 -18.827 1.515 4.636 1.00 0.00 C ATOM 827 C LEU A 64 -20.156 1.176 3.956 1.00 0.00 C ATOM 828 O LEU A 64 -21.213 1.262 4.549 1.00 0.00 O ATOM 829 CB LEU A 64 -18.472 2.987 4.426 1.00 0.00 C ATOM 830 CG LEU A 64 -17.297 3.362 5.328 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.240 4.098 4.505 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.790 4.275 6.452 1.00 0.00 C ATOM 0 H LEU A 64 -17.007 1.323 3.538 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.931 1.277 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.214 3.164 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.333 3.616 4.653 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.863 2.458 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.401 4.366 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.889 3.451 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.675 5.002 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.953 4.543 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.222 5.179 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.547 3.754 7.038 1.00 0.00 H new ATOM 844 N ASP A 65 -20.101 0.786 2.710 1.00 0.00 N ATOM 845 CA ASP A 65 -21.349 0.432 1.975 1.00 0.00 C ATOM 846 C ASP A 65 -21.802 -0.987 2.338 1.00 0.00 C ATOM 847 O ASP A 65 -22.960 -1.330 2.208 1.00 0.00 O ATOM 848 CB ASP A 65 -20.971 0.506 0.494 1.00 0.00 C ATOM 849 CG ASP A 65 -21.537 1.791 -0.113 1.00 0.00 C ATOM 850 OD1 ASP A 65 -21.167 2.856 0.353 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.330 1.688 -1.032 1.00 0.00 O ATOM 0 H ASP A 65 -19.241 0.697 2.168 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.173 1.101 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -19.887 0.485 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.362 -0.362 -0.036 1.00 0.00 H new ATOM 856 N GLY A 66 -20.900 -1.814 2.797 1.00 0.00 N ATOM 857 CA GLY A 66 -21.289 -3.204 3.172 1.00 0.00 C ATOM 858 C GLY A 66 -20.885 -4.189 2.067 1.00 0.00 C ATOM 859 O GLY A 66 -21.473 -5.242 1.927 1.00 0.00 O ATOM 0 H GLY A 66 -19.914 -1.588 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.808 -3.482 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.365 -3.255 3.338 1.00 0.00 H new ATOM 863 N LEU A 67 -19.885 -3.870 1.285 1.00 0.00 N ATOM 864 CA LEU A 67 -19.461 -4.814 0.206 1.00 0.00 C ATOM 865 C LEU A 67 -18.334 -5.710 0.704 1.00 0.00 C ATOM 866 O LEU A 67 -18.279 -6.883 0.400 1.00 0.00 O ATOM 867 CB LEU A 67 -18.954 -3.942 -0.940 1.00 0.00 C ATOM 868 CG LEU A 67 -20.154 -3.354 -1.688 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.870 -1.904 -2.067 1.00 0.00 C ATOM 870 CD2 LEU A 67 -20.405 -4.171 -2.958 1.00 0.00 C ATOM 0 H LEU A 67 -19.348 -3.005 1.345 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.285 -5.456 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.323 -3.142 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.340 -4.533 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.033 -3.390 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.728 -1.492 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.689 -1.321 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.990 -1.861 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.259 -3.757 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.522 -4.132 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.613 -5.207 -2.689 1.00 0.00 H new ATOM 882 N ASP A 68 -17.426 -5.161 1.456 1.00 0.00 N ATOM 883 CA ASP A 68 -16.297 -5.984 1.957 1.00 0.00 C ATOM 884 C ASP A 68 -16.767 -6.906 3.086 1.00 0.00 C ATOM 885 O ASP A 68 -15.989 -7.645 3.653 1.00 0.00 O ATOM 886 CB ASP A 68 -15.248 -4.967 2.429 1.00 0.00 C ATOM 887 CG ASP A 68 -14.818 -5.230 3.880 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.897 -6.007 4.072 1.00 0.00 O ATOM 889 OD2 ASP A 68 -15.418 -4.649 4.769 1.00 0.00 O ATOM 0 H ASP A 68 -17.417 -4.183 1.744 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.883 -6.646 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.376 -5.013 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.655 -3.959 2.346 1.00 0.00 H new ATOM 894 N GLU A 69 -18.030 -6.881 3.409 1.00 0.00 N ATOM 895 CA GLU A 69 -18.525 -7.776 4.490 1.00 0.00 C ATOM 896 C GLU A 69 -17.974 -9.184 4.264 1.00 0.00 C ATOM 897 O GLU A 69 -17.847 -9.974 5.180 1.00 0.00 O ATOM 898 CB GLU A 69 -20.046 -7.762 4.357 1.00 0.00 C ATOM 899 CG GLU A 69 -20.605 -6.517 5.046 1.00 0.00 C ATOM 900 CD GLU A 69 -20.795 -6.804 6.536 1.00 0.00 C ATOM 901 OE1 GLU A 69 -19.800 -6.986 7.218 1.00 0.00 O ATOM 902 OE2 GLU A 69 -21.935 -6.838 6.972 1.00 0.00 O ATOM 0 H GLU A 69 -18.735 -6.285 2.975 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.212 -7.455 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.330 -7.767 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.470 -8.660 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.925 -5.676 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.556 -6.234 4.595 1.00 0.00 H new ATOM 909 N ASP A 70 -17.635 -9.497 3.042 1.00 0.00 N ATOM 910 CA ASP A 70 -17.077 -10.843 2.736 1.00 0.00 C ATOM 911 C ASP A 70 -15.551 -10.758 2.673 1.00 0.00 C ATOM 912 O ASP A 70 -14.848 -11.616 3.168 1.00 0.00 O ATOM 913 CB ASP A 70 -17.649 -11.209 1.367 1.00 0.00 C ATOM 914 CG ASP A 70 -19.160 -11.420 1.484 1.00 0.00 C ATOM 915 OD1 ASP A 70 -19.694 -11.154 2.547 1.00 0.00 O ATOM 916 OD2 ASP A 70 -19.756 -11.844 0.507 1.00 0.00 O ATOM 0 H ASP A 70 -17.722 -8.874 2.239 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.333 -11.586 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.436 -10.417 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.173 -12.115 0.993 1.00 0.00 H new ATOM 921 N GLY A 71 -15.036 -9.721 2.067 1.00 0.00 N ATOM 922 CA GLY A 71 -13.558 -9.568 1.968 1.00 0.00 C ATOM 923 C GLY A 71 -13.093 -9.999 0.576 1.00 0.00 C ATOM 924 O GLY A 71 -11.915 -10.170 0.333 1.00 0.00 O ATOM 0 H GLY A 71 -15.578 -8.972 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.276 -8.531 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.067 -10.173 2.731 1.00 0.00 H new ATOM 928 N GLU A 72 -14.005 -10.173 -0.343 1.00 0.00 N ATOM 929 CA GLU A 72 -13.598 -10.593 -1.715 1.00 0.00 C ATOM 930 C GLU A 72 -13.147 -9.372 -2.526 1.00 0.00 C ATOM 931 O GLU A 72 -12.643 -9.491 -3.626 1.00 0.00 O ATOM 932 CB GLU A 72 -14.838 -11.279 -2.310 1.00 0.00 C ATOM 933 CG GLU A 72 -15.692 -10.295 -3.123 1.00 0.00 C ATOM 934 CD GLU A 72 -15.542 -10.610 -4.613 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.695 -11.767 -4.972 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.275 -9.690 -5.370 1.00 0.00 O ATOM 0 H GLU A 72 -15.007 -10.044 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.748 -11.276 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.526 -12.105 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.439 -11.706 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.738 -10.372 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.378 -9.271 -2.922 1.00 0.00 H new ATOM 943 N LYS A 73 -13.279 -8.207 -1.958 1.00 0.00 N ATOM 944 CA LYS A 73 -12.813 -6.973 -2.646 1.00 0.00 C ATOM 945 C LYS A 73 -11.560 -6.539 -1.903 1.00 0.00 C ATOM 946 O LYS A 73 -10.495 -6.379 -2.466 1.00 0.00 O ATOM 947 CB LYS A 73 -13.913 -5.892 -2.514 1.00 0.00 C ATOM 948 CG LYS A 73 -15.263 -6.460 -2.032 1.00 0.00 C ATOM 949 CD LYS A 73 -16.238 -6.531 -3.209 1.00 0.00 C ATOM 950 CE LYS A 73 -17.664 -6.689 -2.679 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.953 -8.145 -2.779 1.00 0.00 N ATOM 0 H LYS A 73 -13.694 -8.056 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.609 -7.131 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.578 -5.125 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.054 -5.405 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.120 -7.452 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.674 -5.829 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.161 -5.628 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.984 -7.371 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.743 -6.341 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.371 -6.105 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.979 -8.300 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.605 -8.506 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.477 -8.648 -2.003 1.00 0.00 H new ATOM 965 N GLU A 74 -11.690 -6.398 -0.614 1.00 0.00 N ATOM 966 CA GLU A 74 -10.526 -6.030 0.230 1.00 0.00 C ATOM 967 C GLU A 74 -9.393 -7.028 -0.021 1.00 0.00 C ATOM 968 O GLU A 74 -8.239 -6.751 0.234 1.00 0.00 O ATOM 969 CB GLU A 74 -11.042 -6.157 1.666 1.00 0.00 C ATOM 970 CG GLU A 74 -9.867 -6.179 2.645 1.00 0.00 C ATOM 971 CD GLU A 74 -10.365 -6.619 4.023 1.00 0.00 C ATOM 972 OE1 GLU A 74 -10.851 -5.774 4.755 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.252 -7.797 4.321 1.00 0.00 O ATOM 0 H GLU A 74 -12.565 -6.524 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.139 -5.032 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.704 -5.323 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.630 -7.069 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.095 -6.862 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.413 -5.190 2.708 1.00 0.00 H new ATOM 980 N ALA A 75 -9.720 -8.193 -0.526 1.00 0.00 N ATOM 981 CA ALA A 75 -8.664 -9.208 -0.800 1.00 0.00 C ATOM 982 C ALA A 75 -7.667 -8.652 -1.818 1.00 0.00 C ATOM 983 O ALA A 75 -6.467 -8.794 -1.673 1.00 0.00 O ATOM 984 CB ALA A 75 -9.412 -10.409 -1.376 1.00 0.00 C ATOM 0 H ALA A 75 -10.670 -8.481 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.097 -9.476 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.702 -11.204 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.138 -10.770 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.931 -10.112 -2.287 1.00 0.00 H new ATOM 990 N ARG A 76 -8.158 -8.007 -2.839 1.00 0.00 N ATOM 991 CA ARG A 76 -7.244 -7.426 -3.861 1.00 0.00 C ATOM 992 C ARG A 76 -6.313 -6.418 -3.188 1.00 0.00 C ATOM 993 O ARG A 76 -5.124 -6.382 -3.442 1.00 0.00 O ATOM 994 CB ARG A 76 -8.163 -6.725 -4.861 1.00 0.00 C ATOM 995 CG ARG A 76 -7.320 -6.057 -5.947 1.00 0.00 C ATOM 996 CD ARG A 76 -7.734 -4.590 -6.084 1.00 0.00 C ATOM 997 NE ARG A 76 -9.215 -4.622 -6.237 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.763 -4.274 -7.370 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.714 -3.031 -7.763 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.357 -5.169 -8.110 1.00 0.00 N ATOM 0 H ARG A 76 -9.152 -7.857 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.620 -8.176 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.848 -7.445 -5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.773 -5.980 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.262 -6.125 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.455 -6.574 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.440 -4.013 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.258 -4.124 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.802 -4.916 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.248 -2.331 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.142 -2.759 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.394 -6.141 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.785 -4.897 -8.995 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.848 -5.606 -2.318 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.998 -4.607 -1.615 1.00 0.00 C ATOM 1016 C LEU A 77 -4.940 -5.327 -0.787 1.00 0.00 C ATOM 1017 O LEU A 77 -3.834 -4.860 -0.627 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.952 -3.836 -0.702 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.926 -3.026 -1.554 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.976 -2.374 -0.659 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.184 -1.934 -2.321 1.00 0.00 C ATOM 0 H LEU A 77 -7.836 -5.592 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.479 -3.944 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.500 -4.528 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.388 -3.173 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.407 -3.701 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.669 -1.797 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.525 -3.146 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.485 -1.712 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.893 -1.366 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.690 -1.266 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.438 -2.390 -2.972 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.281 -6.466 -0.261 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.302 -7.235 0.559 1.00 0.00 C ATOM 1035 C ILE A 78 -3.159 -7.736 -0.329 1.00 0.00 C ATOM 1036 O ILE A 78 -1.997 -7.505 -0.054 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.100 -8.410 1.124 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -6.011 -7.912 2.249 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.140 -9.463 1.677 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.739 -9.101 2.880 1.00 0.00 C ATOM 0 H ILE A 78 -6.198 -6.901 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.853 -6.633 1.349 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.705 -8.851 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.423 -7.390 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.733 -7.196 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.711 -10.300 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.490 -9.818 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.534 -9.023 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.388 -8.747 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.340 -9.604 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.009 -9.800 3.287 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.478 -8.417 -1.398 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.408 -8.925 -2.304 1.00 0.00 C ATOM 1054 C ARG A 79 -1.587 -7.756 -2.854 1.00 0.00 C ATOM 1055 O ARG A 79 -0.407 -7.883 -3.110 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.149 -9.645 -3.433 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.995 -11.159 -3.266 1.00 0.00 C ATOM 1058 CD ARG A 79 -4.290 -11.750 -2.702 1.00 0.00 C ATOM 1059 NE ARG A 79 -4.212 -13.206 -3.008 1.00 0.00 N ATOM 1060 CZ ARG A 79 -3.517 -13.999 -2.240 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -3.870 -14.177 -0.996 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -2.469 -14.615 -2.714 1.00 0.00 N ATOM 0 H ARG A 79 -4.431 -8.643 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.711 -9.589 -1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.204 -9.373 -3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.752 -9.333 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.762 -11.619 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.162 -11.378 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.369 -11.576 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.166 -11.295 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.703 -13.583 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.689 -13.696 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.327 -14.797 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.192 -14.477 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.926 -15.235 -2.113 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.197 -6.614 -3.032 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.437 -5.442 -3.557 1.00 0.00 C ATOM 1078 C ASN A 80 -0.459 -4.942 -2.490 1.00 0.00 C ATOM 1079 O ASN A 80 0.703 -4.712 -2.756 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.496 -4.378 -3.857 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.139 -4.666 -5.215 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.570 -5.772 -5.475 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.222 -3.709 -6.099 1.00 0.00 N ATOM 0 H ASN A 80 -3.184 -6.442 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.852 -5.688 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.256 -4.376 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.041 -3.388 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.649 -3.890 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.860 -2.781 -5.881 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.922 -4.780 -1.279 1.00 0.00 N ATOM 1091 CA LEU A 81 -0.021 -4.304 -0.191 1.00 0.00 C ATOM 1092 C LEU A 81 1.112 -5.307 0.008 1.00 0.00 C ATOM 1093 O LEU A 81 2.228 -4.945 0.298 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.902 -4.228 1.054 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.647 -2.903 1.774 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.833 -2.803 2.148 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.016 -1.742 0.848 1.00 0.00 C ATOM 0 H LEU A 81 -1.886 -4.957 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 81 0.436 -3.340 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.953 -4.307 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.685 -5.064 1.719 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.255 -2.857 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.016 -1.859 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.099 -3.631 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.441 -2.848 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.835 -0.797 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.407 -1.789 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.070 -1.812 0.578 1.00 0.00 H new ATOM 1109 N ASN A 82 0.830 -6.565 -0.160 1.00 0.00 N ATOM 1110 CA ASN A 82 1.884 -7.603 -0.007 1.00 0.00 C ATOM 1111 C ASN A 82 2.816 -7.552 -1.221 1.00 0.00 C ATOM 1112 O ASN A 82 4.004 -7.785 -1.122 1.00 0.00 O ATOM 1113 CB ASN A 82 1.124 -8.927 0.037 1.00 0.00 C ATOM 1114 CG ASN A 82 0.972 -9.381 1.489 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.939 -9.447 2.222 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.212 -9.697 1.940 1.00 0.00 N ATOM 0 H ASN A 82 -0.095 -6.923 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 82 2.498 -7.464 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.143 -8.811 -0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.658 -9.684 -0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.325 -9.999 2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.024 -9.642 1.325 1.00 0.00 H new ATOM 1123 N VAL A 83 2.277 -7.224 -2.366 1.00 0.00 N ATOM 1124 CA VAL A 83 3.117 -7.130 -3.594 1.00 0.00 C ATOM 1125 C VAL A 83 4.148 -6.017 -3.399 1.00 0.00 C ATOM 1126 O VAL A 83 5.327 -6.191 -3.636 1.00 0.00 O ATOM 1127 CB VAL A 83 2.124 -6.786 -4.711 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.839 -6.066 -5.856 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.492 -8.076 -5.242 1.00 0.00 C ATOM 0 H VAL A 83 1.288 -7.017 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 83 3.668 -8.042 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 83 1.352 -6.131 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.121 -5.828 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.287 -5.145 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.619 -6.711 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.786 -7.835 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.272 -8.728 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.968 -8.585 -4.433 1.00 0.00 H new ATOM 1139 N ILE A 84 3.707 -4.882 -2.935 1.00 0.00 N ATOM 1140 CA ILE A 84 4.641 -3.753 -2.683 1.00 0.00 C ATOM 1141 C ILE A 84 5.590 -4.150 -1.556 1.00 0.00 C ATOM 1142 O ILE A 84 6.790 -4.132 -1.702 1.00 0.00 O ATOM 1143 CB ILE A 84 3.718 -2.608 -2.259 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.872 -2.191 -3.461 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.535 -1.410 -1.770 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.583 -1.535 -2.972 1.00 0.00 C ATOM 0 H ILE A 84 2.730 -4.688 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 84 5.257 -3.478 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 84 3.079 -2.945 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.430 -1.497 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.640 -3.061 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.861 -0.607 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.142 -1.708 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.185 -1.061 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.979 -1.237 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.023 -2.244 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.826 -0.655 -2.376 1.00 0.00 H new ATOM 1158 N LEU A 85 5.047 -4.536 -0.441 1.00 0.00 N ATOM 1159 CA LEU A 85 5.890 -4.967 0.704 1.00 0.00 C ATOM 1160 C LEU A 85 6.793 -6.116 0.270 1.00 0.00 C ATOM 1161 O LEU A 85 7.796 -6.406 0.886 1.00 0.00 O ATOM 1162 CB LEU A 85 4.885 -5.431 1.754 1.00 0.00 C ATOM 1163 CG LEU A 85 4.097 -4.224 2.240 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.110 -4.658 3.322 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.067 -3.188 2.801 1.00 0.00 C ATOM 0 H LEU A 85 4.042 -4.572 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 85 6.541 -4.178 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.212 -6.176 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.402 -5.906 2.588 1.00 0.00 H new ATOM 0 HG LEU A 85 3.541 -3.787 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.546 -3.792 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.423 -5.398 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.656 -5.094 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.509 -2.320 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.622 -3.622 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.763 -2.881 2.020 1.00 0.00 H new ATOM 1177 N ALA A 86 6.442 -6.762 -0.801 1.00 0.00 N ATOM 1178 CA ALA A 86 7.283 -7.883 -1.305 1.00 0.00 C ATOM 1179 C ALA A 86 8.382 -7.304 -2.199 1.00 0.00 C ATOM 1180 O ALA A 86 9.482 -7.816 -2.274 1.00 0.00 O ATOM 1181 CB ALA A 86 6.336 -8.767 -2.118 1.00 0.00 C ATOM 0 H ALA A 86 5.607 -6.564 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 86 7.761 -8.451 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.888 -9.616 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.534 -9.128 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.911 -8.188 -2.938 1.00 0.00 H new ATOM 1187 N LYS A 87 8.075 -6.228 -2.869 1.00 0.00 N ATOM 1188 CA LYS A 87 9.067 -5.571 -3.767 1.00 0.00 C ATOM 1189 C LYS A 87 10.057 -4.734 -2.953 1.00 0.00 C ATOM 1190 O LYS A 87 11.155 -4.448 -3.390 1.00 0.00 O ATOM 1191 CB LYS A 87 8.224 -4.647 -4.643 1.00 0.00 C ATOM 1192 CG LYS A 87 9.093 -4.049 -5.748 1.00 0.00 C ATOM 1193 CD LYS A 87 8.267 -3.055 -6.567 1.00 0.00 C ATOM 1194 CE LYS A 87 8.317 -3.446 -8.046 1.00 0.00 C ATOM 1195 NZ LYS A 87 6.992 -3.042 -8.597 1.00 0.00 N ATOM 0 H LYS A 87 7.165 -5.769 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 87 9.648 -6.295 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.394 -5.202 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.791 -3.851 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.958 -3.548 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.474 -4.840 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.235 -3.048 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.656 -2.046 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.131 -2.936 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.485 -4.516 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.950 -3.278 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.237 -3.548 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.863 -2.017 -8.475 1.00 0.00 H new ATOM 1209 N TYR A 88 9.667 -4.325 -1.780 1.00 0.00 N ATOM 1210 CA TYR A 88 10.565 -3.489 -0.939 1.00 0.00 C ATOM 1211 C TYR A 88 10.748 -4.125 0.434 1.00 0.00 C ATOM 1212 O TYR A 88 11.479 -3.628 1.267 1.00 0.00 O ATOM 1213 CB TYR A 88 9.832 -2.157 -0.778 1.00 0.00 C ATOM 1214 CG TYR A 88 9.214 -1.728 -2.081 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.017 -1.242 -3.114 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.830 -1.807 -2.246 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.433 -0.836 -4.317 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.243 -1.405 -3.450 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.045 -0.919 -4.488 1.00 0.00 C ATOM 1220 OH TYR A 88 7.468 -0.520 -5.676 1.00 0.00 O ATOM 0 H TYR A 88 8.759 -4.535 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 88 11.551 -3.378 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.058 -2.252 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.528 -1.393 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.087 -1.180 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.212 -2.179 -1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.053 -0.458 -5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.173 -1.470 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 88 6.526 -0.788 -5.688 1.00 0.00 H new ATOM 1230 N GLY A 89 10.071 -5.205 0.693 1.00 0.00 N ATOM 1231 CA GLY A 89 10.198 -5.837 2.030 1.00 0.00 C ATOM 1232 C GLY A 89 9.974 -4.759 3.091 1.00 0.00 C ATOM 1233 O GLY A 89 10.567 -4.784 4.151 1.00 0.00 O ATOM 0 H GLY A 89 9.440 -5.674 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.468 -6.639 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.185 -6.286 2.146 1.00 0.00 H new ATOM 1237 N LEU A 90 9.122 -3.803 2.810 1.00 0.00 N ATOM 1238 CA LEU A 90 8.867 -2.720 3.801 1.00 0.00 C ATOM 1239 C LEU A 90 8.159 -3.292 5.030 1.00 0.00 C ATOM 1240 O LEU A 90 8.208 -2.732 6.106 1.00 0.00 O ATOM 1241 CB LEU A 90 7.964 -1.728 3.068 1.00 0.00 C ATOM 1242 CG LEU A 90 8.803 -0.864 2.120 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.871 -0.139 1.144 1.00 0.00 C ATOM 1244 CD2 LEU A 90 9.599 0.155 2.935 1.00 0.00 C ATOM 0 H LEU A 90 8.596 -3.729 1.940 1.00 0.00 H new ATOM 0 HA LEU A 90 9.784 -2.250 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.200 -2.265 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.444 -1.095 3.787 1.00 0.00 H new ATOM 0 HG LEU A 90 9.495 -1.492 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.462 0.478 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.306 -0.872 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.181 0.494 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.197 0.771 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.912 0.790 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.257 -0.368 3.629 1.00 0.00 H new