USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 16 HIS : no HE2:sc= -4.09! C(o=-7.3!,f=-7.1!) USER MOD Set 1.2: A 64 GLN : amide:sc= -3.18! K(o=-7.3!,f=-5.4) USER MOD Single : A 13 ASN : amide:sc=-0.00885 X(o=-0.0088,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.57 K(o=-0.57,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.48) USER MOD Single : A 19 SER OG : rot 66:sc= 0.665 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -110:sc= -1.83 USER MOD Single : A 38 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=-0.23) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -18:sc= 0.299 USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.09 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.293 USER MOD Single : A 46 SER OG : rot -49:sc= 1.19 USER MOD Single : A 49 MET CE :methyl 146:sc= -3.91! (180deg=-5.64!) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.25 (180deg=0.0158) USER MOD Single : A 52 THR OG1 : rot 150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -4.15! C(o=-4.1!,f=-5.2!) USER MOD Single : A 60 SER OG : rot 150:sc= -0.26 USER MOD Single : A 67 SER OG : rot -45:sc= 0.696 USER MOD Single : A 68 HIS : no HD1:sc= -5.96! C(o=-6!,f=-5.1!) USER MOD Single : A 69 MET CE :methyl -176:sc= -9.19! (180deg=-9.64!) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -0.668 (180deg=-2.38!) USER MOD Single : A 71 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.0094) USER MOD Single : A 76 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -6.081 18.254 0.896 1.00 0.00 N ATOM 99 CA GLY A 10 -6.443 17.913 -0.467 1.00 0.00 C ATOM 100 C GLY A 10 -5.776 16.637 -0.942 1.00 0.00 C ATOM 101 O GLY A 10 -6.410 15.589 -1.068 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.525 17.801 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.165 18.733 -1.129 1.00 0.00 H new ATOM 105 N PRO A 11 -4.466 16.717 -1.217 1.00 0.00 N ATOM 106 CA PRO A 11 -3.684 15.570 -1.687 1.00 0.00 C ATOM 107 C PRO A 11 -3.491 14.516 -0.601 1.00 0.00 C ATOM 108 O PRO A 11 -3.192 13.357 -0.892 1.00 0.00 O ATOM 109 CB PRO A 11 -2.339 16.191 -2.073 1.00 0.00 C ATOM 110 CG PRO A 11 -2.240 17.425 -1.245 1.00 0.00 C ATOM 111 CD PRO A 11 -3.646 17.934 -1.090 1.00 0.00 C ATOM 0 HA PRO A 11 -4.179 15.048 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.514 15.509 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.301 16.424 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.794 17.209 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.607 18.169 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.794 18.419 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.894 18.668 -1.857 1.00 0.00 H new ATOM 119 N LEU A 12 -3.666 14.925 0.651 1.00 0.00 N ATOM 120 CA LEU A 12 -3.512 14.015 1.781 1.00 0.00 C ATOM 121 C LEU A 12 -4.660 13.013 1.834 1.00 0.00 C ATOM 122 O LEU A 12 -4.452 11.829 2.094 1.00 0.00 O ATOM 123 CB LEU A 12 -3.447 14.803 3.090 1.00 0.00 C ATOM 124 CG LEU A 12 -2.101 15.451 3.418 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.249 16.436 4.567 1.00 0.00 C ATOM 126 CD2 LEU A 12 -1.066 14.387 3.756 1.00 0.00 C ATOM 0 H LEU A 12 -3.914 15.880 0.909 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.580 13.465 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.206 15.585 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.714 14.133 3.907 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.758 15.998 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.281 16.887 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.958 17.216 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.614 15.912 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.114 14.866 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.403 13.813 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.939 13.719 2.904 1.00 0.00 H new ATOM 138 N ASN A 13 -5.873 13.496 1.582 1.00 0.00 N ATOM 139 CA ASN A 13 -7.055 12.642 1.599 1.00 0.00 C ATOM 140 C ASN A 13 -7.070 11.710 0.391 1.00 0.00 C ATOM 141 O ASN A 13 -7.411 10.532 0.506 1.00 0.00 O ATOM 142 CB ASN A 13 -8.325 13.494 1.615 1.00 0.00 C ATOM 143 CG ASN A 13 -9.563 12.694 1.259 1.00 0.00 C ATOM 144 OD1 ASN A 13 -10.303 13.049 0.342 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.794 11.607 1.986 1.00 0.00 N ATOM 0 H ASN A 13 -6.063 14.474 1.364 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.021 12.035 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.452 13.933 2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.214 14.319 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.612 11.029 1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.153 11.350 2.737 1.00 0.00 H new ATOM 152 N LEU A 14 -6.697 12.245 -0.766 1.00 0.00 N ATOM 153 CA LEU A 14 -6.666 11.461 -1.997 1.00 0.00 C ATOM 154 C LEU A 14 -5.815 10.207 -1.823 1.00 0.00 C ATOM 155 O LEU A 14 -6.233 9.106 -2.180 1.00 0.00 O ATOM 156 CB LEU A 14 -6.121 12.306 -3.149 1.00 0.00 C ATOM 157 CG LEU A 14 -7.109 13.278 -3.794 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.373 14.468 -4.392 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.936 12.571 -4.858 1.00 0.00 C ATOM 0 H LEU A 14 -6.412 13.218 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.686 11.155 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.268 12.877 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.747 11.634 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.785 13.645 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.092 15.149 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.826 14.989 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.673 14.119 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.634 13.278 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.275 12.175 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.492 11.752 -4.402 1.00 0.00 H new ATOM 171 N ALA A 15 -4.620 10.382 -1.269 1.00 0.00 N ATOM 172 CA ALA A 15 -3.712 9.265 -1.043 1.00 0.00 C ATOM 173 C ALA A 15 -4.339 8.225 -0.121 1.00 0.00 C ATOM 174 O ALA A 15 -4.021 7.038 -0.200 1.00 0.00 O ATOM 175 CB ALA A 15 -2.396 9.762 -0.463 1.00 0.00 C ATOM 0 H ALA A 15 -4.258 11.287 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.516 8.789 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.728 8.916 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.933 10.461 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.583 10.265 0.486 1.00 0.00 H new ATOM 181 N HIS A 16 -5.232 8.677 0.753 1.00 0.00 N ATOM 182 CA HIS A 16 -5.905 7.785 1.690 1.00 0.00 C ATOM 183 C HIS A 16 -6.858 6.845 0.958 1.00 0.00 C ATOM 184 O HIS A 16 -6.810 5.630 1.145 1.00 0.00 O ATOM 185 CB HIS A 16 -6.672 8.594 2.737 1.00 0.00 C ATOM 186 CG HIS A 16 -5.812 9.555 3.499 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.326 10.532 4.326 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.466 9.683 3.559 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.333 11.221 4.859 1.00 0.00 C ATOM 190 NE2 HIS A 16 -4.193 10.726 4.410 1.00 0.00 N ATOM 0 H HIS A 16 -5.507 9.656 0.832 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.145 7.185 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.471 9.147 2.243 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.146 7.908 3.439 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.318 10.697 4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.741 9.078 3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.435 12.049 5.545 1.00 0.00 H new ATOM 199 N GLN A 17 -7.722 7.418 0.125 1.00 0.00 N ATOM 200 CA GLN A 17 -8.686 6.630 -0.633 1.00 0.00 C ATOM 201 C GLN A 17 -8.064 5.324 -1.115 1.00 0.00 C ATOM 202 O GLN A 17 -8.677 4.261 -1.017 1.00 0.00 O ATOM 203 CB GLN A 17 -9.204 7.433 -1.828 1.00 0.00 C ATOM 204 CG GLN A 17 -9.978 8.681 -1.433 1.00 0.00 C ATOM 205 CD GLN A 17 -10.815 9.232 -2.570 1.00 0.00 C ATOM 206 OE1 GLN A 17 -11.886 8.707 -2.880 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.332 10.296 -3.200 1.00 0.00 N ATOM 0 H GLN A 17 -7.774 8.423 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.521 6.391 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.360 7.722 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.846 6.794 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.627 8.449 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.279 9.447 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.441 10.699 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.852 10.710 -3.973 1.00 0.00 H new ATOM 216 N GLN A 18 -6.844 5.411 -1.635 1.00 0.00 N ATOM 217 CA GLN A 18 -6.140 4.235 -2.132 1.00 0.00 C ATOM 218 C GLN A 18 -5.605 3.393 -0.979 1.00 0.00 C ATOM 219 O GLN A 18 -5.627 2.163 -1.033 1.00 0.00 O ATOM 220 CB GLN A 18 -4.991 4.653 -3.051 1.00 0.00 C ATOM 221 CG GLN A 18 -5.443 5.434 -4.274 1.00 0.00 C ATOM 222 CD GLN A 18 -6.473 4.685 -5.096 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.670 4.742 -4.813 1.00 0.00 O ATOM 224 NE2 GLN A 18 -6.013 3.977 -6.121 1.00 0.00 N ATOM 0 H GLN A 18 -6.323 6.283 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.848 3.631 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.285 5.259 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.455 3.762 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.862 6.389 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.578 5.657 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.013 3.958 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.660 3.452 -6.710 1.00 0.00 H new ATOM 233 N SER A 19 -5.124 4.063 0.063 1.00 0.00 N ATOM 234 CA SER A 19 -4.579 3.376 1.228 1.00 0.00 C ATOM 235 C SER A 19 -5.526 2.279 1.705 1.00 0.00 C ATOM 236 O SER A 19 -5.119 1.133 1.899 1.00 0.00 O ATOM 237 CB SER A 19 -4.323 4.372 2.361 1.00 0.00 C ATOM 238 OG SER A 19 -3.293 5.282 2.017 1.00 0.00 O ATOM 0 H SER A 19 -5.101 5.081 0.124 1.00 0.00 H new ATOM 0 HA SER A 19 -3.635 2.916 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.239 4.921 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.049 3.833 3.268 1.00 0.00 H new ATOM 0 HG SER A 19 -3.588 5.843 1.270 1.00 0.00 H new ATOM 244 N ARG A 20 -6.792 2.638 1.891 1.00 0.00 N ATOM 245 CA ARG A 20 -7.798 1.686 2.346 1.00 0.00 C ATOM 246 C ARG A 20 -7.736 0.398 1.529 1.00 0.00 C ATOM 247 O ARG A 20 -7.635 -0.696 2.084 1.00 0.00 O ATOM 248 CB ARG A 20 -9.195 2.300 2.243 1.00 0.00 C ATOM 249 CG ARG A 20 -9.493 3.321 3.330 1.00 0.00 C ATOM 250 CD ARG A 20 -9.877 2.647 4.638 1.00 0.00 C ATOM 251 NE ARG A 20 -11.194 2.021 4.565 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.725 1.309 5.553 1.00 0.00 C ATOM 253 NH1 ARG A 20 -11.054 1.134 6.683 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.929 0.770 5.411 1.00 0.00 N ATOM 0 H ARG A 20 -7.145 3.582 1.733 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.590 1.446 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.302 2.777 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.937 1.503 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.618 3.952 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.303 3.974 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.131 1.893 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.870 3.384 5.441 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.736 2.137 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.128 1.546 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.464 0.587 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.448 0.902 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.336 0.223 6.170 1.00 0.00 H new ATOM 268 N ARG A 21 -7.798 0.537 0.209 1.00 0.00 N ATOM 269 CA ARG A 21 -7.750 -0.615 -0.683 1.00 0.00 C ATOM 270 C ARG A 21 -6.589 -1.536 -0.321 1.00 0.00 C ATOM 271 O ARG A 21 -6.776 -2.734 -0.111 1.00 0.00 O ATOM 272 CB ARG A 21 -7.616 -0.156 -2.137 1.00 0.00 C ATOM 273 CG ARG A 21 -7.243 -1.274 -3.096 1.00 0.00 C ATOM 274 CD ARG A 21 -7.687 -0.960 -4.517 1.00 0.00 C ATOM 275 NE ARG A 21 -7.669 -2.145 -5.370 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.125 -2.158 -6.618 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.631 -1.057 -7.154 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.074 -3.276 -7.331 1.00 0.00 N ATOM 0 H ARG A 21 -7.882 1.436 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.681 -1.170 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.559 0.287 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.860 0.627 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.164 -1.427 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.703 -2.206 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.693 -0.542 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.033 -0.198 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.286 -3.009 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.671 -0.196 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.980 -1.070 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.685 -4.125 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.424 -3.286 -8.289 1.00 0.00 H new ATOM 292 N ALA A 22 -5.390 -0.968 -0.250 1.00 0.00 N ATOM 293 CA ALA A 22 -4.199 -1.737 0.089 1.00 0.00 C ATOM 294 C ALA A 22 -4.413 -2.548 1.362 1.00 0.00 C ATOM 295 O ALA A 22 -3.926 -3.673 1.482 1.00 0.00 O ATOM 296 CB ALA A 22 -3.000 -0.813 0.245 1.00 0.00 C ATOM 0 H ALA A 22 -5.218 0.022 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.003 -2.434 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.118 -1.401 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.826 -0.282 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.196 -0.093 1.040 1.00 0.00 H new ATOM 302 N ASP A 23 -5.143 -1.971 2.310 1.00 0.00 N ATOM 303 CA ASP A 23 -5.421 -2.642 3.575 1.00 0.00 C ATOM 304 C ASP A 23 -6.433 -3.767 3.382 1.00 0.00 C ATOM 305 O ASP A 23 -6.242 -4.878 3.876 1.00 0.00 O ATOM 306 CB ASP A 23 -5.946 -1.639 4.603 1.00 0.00 C ATOM 307 CG ASP A 23 -4.828 -0.933 5.346 1.00 0.00 C ATOM 308 OD1 ASP A 23 -4.103 -1.608 6.106 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.679 0.294 5.167 1.00 0.00 O ATOM 0 H ASP A 23 -5.553 -1.041 2.227 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.490 -3.074 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.568 -0.899 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.584 -2.157 5.319 1.00 0.00 H new ATOM 314 N ARG A 24 -7.510 -3.471 2.661 1.00 0.00 N ATOM 315 CA ARG A 24 -8.553 -4.457 2.405 1.00 0.00 C ATOM 316 C ARG A 24 -8.001 -5.639 1.613 1.00 0.00 C ATOM 317 O ARG A 24 -8.531 -6.749 1.683 1.00 0.00 O ATOM 318 CB ARG A 24 -9.714 -3.816 1.643 1.00 0.00 C ATOM 319 CG ARG A 24 -10.626 -2.973 2.519 1.00 0.00 C ATOM 320 CD ARG A 24 -11.603 -3.838 3.300 1.00 0.00 C ATOM 321 NE ARG A 24 -12.537 -4.538 2.422 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.316 -5.536 2.824 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.274 -5.948 4.084 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.141 -6.123 1.966 1.00 0.00 N ATOM 0 H ARG A 24 -7.683 -2.556 2.244 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.916 -4.823 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.313 -3.192 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.303 -4.601 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.025 -2.385 3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.179 -2.268 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.049 -4.565 3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.160 -3.215 3.999 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.594 -4.244 1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.643 -5.498 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.873 -6.715 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.177 -5.808 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.739 -6.889 2.276 1.00 0.00 H new ATOM 338 N LEU A 25 -6.934 -5.393 0.860 1.00 0.00 N ATOM 339 CA LEU A 25 -6.310 -6.437 0.053 1.00 0.00 C ATOM 340 C LEU A 25 -5.406 -7.318 0.909 1.00 0.00 C ATOM 341 O LEU A 25 -5.403 -8.542 0.770 1.00 0.00 O ATOM 342 CB LEU A 25 -5.503 -5.814 -1.087 1.00 0.00 C ATOM 343 CG LEU A 25 -6.316 -5.208 -2.232 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.475 -4.212 -3.015 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.841 -6.303 -3.149 1.00 0.00 C ATOM 0 H LEU A 25 -6.483 -4.481 0.791 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.100 -7.059 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.864 -5.036 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.845 -6.579 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.168 -4.677 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.070 -3.791 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.148 -3.411 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.604 -4.718 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.417 -5.855 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.003 -6.861 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.480 -6.979 -2.580 1.00 0.00 H new ATOM 357 N LEU A 26 -4.643 -6.689 1.795 1.00 0.00 N ATOM 358 CA LEU A 26 -3.735 -7.417 2.676 1.00 0.00 C ATOM 359 C LEU A 26 -4.487 -8.471 3.482 1.00 0.00 C ATOM 360 O LEU A 26 -3.971 -9.559 3.734 1.00 0.00 O ATOM 361 CB LEU A 26 -3.025 -6.447 3.622 1.00 0.00 C ATOM 362 CG LEU A 26 -2.499 -7.046 4.927 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.428 -8.088 4.643 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.955 -5.953 5.835 1.00 0.00 C ATOM 0 H LEU A 26 -4.634 -5.677 1.923 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.993 -7.921 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.187 -5.998 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.715 -5.640 3.868 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.327 -7.536 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.066 -8.503 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.850 -8.886 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.600 -7.622 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.585 -6.398 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.140 -5.433 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.749 -5.244 6.067 1.00 0.00 H new ATOM 376 N ALA A 27 -5.711 -8.142 3.881 1.00 0.00 N ATOM 377 CA ALA A 27 -6.536 -9.062 4.655 1.00 0.00 C ATOM 378 C ALA A 27 -6.924 -10.281 3.825 1.00 0.00 C ATOM 379 O ALA A 27 -7.029 -11.390 4.346 1.00 0.00 O ATOM 380 CB ALA A 27 -7.781 -8.352 5.167 1.00 0.00 C ATOM 0 H ALA A 27 -6.154 -7.245 3.681 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.951 -9.406 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.387 -9.051 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.488 -7.517 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.361 -7.979 4.322 1.00 0.00 H new ATOM 386 N ALA A 28 -7.137 -10.067 2.531 1.00 0.00 N ATOM 387 CA ALA A 28 -7.512 -11.149 1.629 1.00 0.00 C ATOM 388 C ALA A 28 -6.280 -11.870 1.094 1.00 0.00 C ATOM 389 O ALA A 28 -6.380 -12.715 0.206 1.00 0.00 O ATOM 390 CB ALA A 28 -8.352 -10.611 0.479 1.00 0.00 C ATOM 0 H ALA A 28 -7.056 -9.154 2.084 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.106 -11.869 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.625 -11.430 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.256 -10.148 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.777 -9.869 -0.075 1.00 0.00 H new ATOM 396 N GLY A 29 -5.116 -11.529 1.640 1.00 0.00 N ATOM 397 CA GLY A 29 -3.881 -12.153 1.205 1.00 0.00 C ATOM 398 C GLY A 29 -3.405 -11.624 -0.134 1.00 0.00 C ATOM 399 O GLY A 29 -2.530 -12.215 -0.768 1.00 0.00 O ATOM 0 H GLY A 29 -5.007 -10.831 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.108 -11.984 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.027 -13.231 1.135 1.00 0.00 H new ATOM 403 N LYS A 30 -3.983 -10.509 -0.567 1.00 0.00 N ATOM 404 CA LYS A 30 -3.613 -9.900 -1.839 1.00 0.00 C ATOM 405 C LYS A 30 -2.531 -8.843 -1.642 1.00 0.00 C ATOM 406 O LYS A 30 -2.806 -7.644 -1.682 1.00 0.00 O ATOM 407 CB LYS A 30 -4.841 -9.270 -2.502 1.00 0.00 C ATOM 408 CG LYS A 30 -5.936 -10.271 -2.829 1.00 0.00 C ATOM 409 CD LYS A 30 -5.760 -10.855 -4.220 1.00 0.00 C ATOM 410 CE LYS A 30 -7.093 -11.272 -4.822 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.432 -12.685 -4.494 1.00 0.00 N ATOM 0 H LYS A 30 -4.710 -10.008 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.218 -10.683 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.247 -8.503 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.532 -8.770 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.928 -11.074 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.909 -9.784 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.282 -10.119 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.095 -11.718 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.880 -10.615 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.057 -11.149 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.347 -12.931 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.694 -13.315 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.492 -12.797 -3.462 1.00 0.00 H new ATOM 425 N TYR A 31 -1.300 -9.296 -1.431 1.00 0.00 N ATOM 426 CA TYR A 31 -0.177 -8.389 -1.227 1.00 0.00 C ATOM 427 C TYR A 31 0.120 -7.595 -2.496 1.00 0.00 C ATOM 428 O TYR A 31 -0.006 -6.372 -2.519 1.00 0.00 O ATOM 429 CB TYR A 31 1.066 -9.171 -0.799 1.00 0.00 C ATOM 430 CG TYR A 31 0.871 -9.970 0.470 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.983 -9.367 1.717 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.577 -11.327 0.422 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.806 -10.093 2.879 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.398 -12.060 1.579 1.00 0.00 C ATOM 435 CZ TYR A 31 0.514 -11.439 2.805 1.00 0.00 C ATOM 436 OH TYR A 31 0.337 -12.166 3.960 1.00 0.00 O ATOM 0 H TYR A 31 -1.055 -10.285 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.448 -7.689 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.354 -9.847 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.892 -8.474 -0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.212 -8.313 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.487 -11.817 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.896 -9.609 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.168 -13.114 1.524 1.00 0.00 H new ATOM 0 HH TYR A 31 0.136 -13.098 3.732 1.00 0.00 H new ATOM 446 N GLU A 32 0.514 -8.303 -3.550 1.00 0.00 N ATOM 447 CA GLU A 32 0.829 -7.665 -4.823 1.00 0.00 C ATOM 448 C GLU A 32 -0.176 -6.562 -5.142 1.00 0.00 C ATOM 449 O GLU A 32 0.199 -5.477 -5.585 1.00 0.00 O ATOM 450 CB GLU A 32 0.841 -8.701 -5.949 1.00 0.00 C ATOM 451 CG GLU A 32 1.249 -8.131 -7.297 1.00 0.00 C ATOM 452 CD GLU A 32 0.066 -7.621 -8.097 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.947 -7.235 -7.476 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.153 -7.607 -9.342 1.00 0.00 O ATOM 0 H GLU A 32 0.623 -9.317 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 32 1.819 -7.217 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.525 -9.507 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.152 -9.142 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.957 -7.317 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.767 -8.900 -7.871 1.00 0.00 H new ATOM 461 N GLU A 33 -1.454 -6.850 -4.914 1.00 0.00 N ATOM 462 CA GLU A 33 -2.512 -5.883 -5.179 1.00 0.00 C ATOM 463 C GLU A 33 -2.345 -4.641 -4.308 1.00 0.00 C ATOM 464 O GLU A 33 -2.574 -3.519 -4.759 1.00 0.00 O ATOM 465 CB GLU A 33 -3.884 -6.514 -4.929 1.00 0.00 C ATOM 466 CG GLU A 33 -4.201 -7.670 -5.862 1.00 0.00 C ATOM 467 CD GLU A 33 -4.507 -7.211 -7.275 1.00 0.00 C ATOM 468 OE1 GLU A 33 -5.135 -6.143 -7.429 1.00 0.00 O ATOM 469 OE2 GLU A 33 -4.120 -7.921 -8.227 1.00 0.00 O ATOM 0 H GLU A 33 -1.781 -7.744 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.442 -5.584 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.930 -6.867 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.652 -5.748 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.356 -8.358 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.054 -8.224 -5.471 1.00 0.00 H new ATOM 476 N ALA A 34 -1.946 -4.851 -3.058 1.00 0.00 N ATOM 477 CA ALA A 34 -1.747 -3.750 -2.124 1.00 0.00 C ATOM 478 C ALA A 34 -0.514 -2.932 -2.495 1.00 0.00 C ATOM 479 O ALA A 34 -0.507 -1.708 -2.363 1.00 0.00 O ATOM 480 CB ALA A 34 -1.623 -4.279 -0.703 1.00 0.00 C ATOM 0 H ALA A 34 -1.754 -5.774 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.617 -3.095 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.475 -3.446 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.534 -4.814 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.772 -4.957 -0.640 1.00 0.00 H new ATOM 486 N ILE A 35 0.527 -3.616 -2.959 1.00 0.00 N ATOM 487 CA ILE A 35 1.764 -2.952 -3.348 1.00 0.00 C ATOM 488 C ILE A 35 1.488 -1.783 -4.288 1.00 0.00 C ATOM 489 O ILE A 35 1.665 -0.622 -3.920 1.00 0.00 O ATOM 490 CB ILE A 35 2.736 -3.929 -4.035 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.131 -5.050 -3.071 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.969 -3.190 -4.531 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.948 -6.145 -3.721 1.00 0.00 C ATOM 0 H ILE A 35 0.538 -4.629 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 35 2.223 -2.579 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 35 2.234 -4.374 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.701 -4.624 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.228 -5.486 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.646 -3.895 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.671 -2.424 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.475 -2.720 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.192 -6.906 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.373 -6.597 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.868 -5.722 -4.124 1.00 0.00 H new ATOM 505 N SER A 36 1.052 -2.098 -5.504 1.00 0.00 N ATOM 506 CA SER A 36 0.753 -1.074 -6.498 1.00 0.00 C ATOM 507 C SER A 36 0.113 0.147 -5.844 1.00 0.00 C ATOM 508 O SER A 36 0.670 1.245 -5.878 1.00 0.00 O ATOM 509 CB SER A 36 -0.177 -1.636 -7.575 1.00 0.00 C ATOM 510 OG SER A 36 -1.130 -2.522 -7.015 1.00 0.00 O ATOM 0 H SER A 36 0.898 -3.054 -5.824 1.00 0.00 H new ATOM 0 HA SER A 36 1.691 -0.767 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.690 -0.817 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.410 -2.159 -8.330 1.00 0.00 H new ATOM 0 HG SER A 36 -1.713 -2.866 -7.724 1.00 0.00 H new ATOM 516 N CYS A 37 -1.058 -0.053 -5.251 1.00 0.00 N ATOM 517 CA CYS A 37 -1.776 1.032 -4.590 1.00 0.00 C ATOM 518 C CYS A 37 -0.805 1.978 -3.890 1.00 0.00 C ATOM 519 O CYS A 37 -0.925 3.199 -3.997 1.00 0.00 O ATOM 520 CB CYS A 37 -2.776 0.468 -3.580 1.00 0.00 C ATOM 521 SG CYS A 37 -4.394 0.074 -4.285 1.00 0.00 S ATOM 0 H CYS A 37 -1.531 -0.956 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.318 1.594 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.356 -0.434 -3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.909 1.190 -2.774 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.278 0.916 -3.840 1.00 0.00 H new ATOM 527 N HIS A 38 0.155 1.406 -3.171 1.00 0.00 N ATOM 528 CA HIS A 38 1.146 2.198 -2.451 1.00 0.00 C ATOM 529 C HIS A 38 2.056 2.943 -3.423 1.00 0.00 C ATOM 530 O HIS A 38 2.301 4.139 -3.267 1.00 0.00 O ATOM 531 CB HIS A 38 1.982 1.301 -1.538 1.00 0.00 C ATOM 532 CG HIS A 38 1.248 0.842 -0.316 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.769 1.708 0.645 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.911 -0.402 0.099 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.170 1.017 1.598 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.242 -0.266 1.291 1.00 0.00 N ATOM 0 H HIS A 38 0.268 0.397 -3.071 1.00 0.00 H new ATOM 0 HA HIS A 38 0.616 2.930 -1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.313 0.429 -2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.878 1.841 -1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.128 -1.328 -0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.299 1.431 2.479 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.138 -1.031 1.849 1.00 0.00 H new ATOM 545 N ARG A 39 2.555 2.228 -4.426 1.00 0.00 N ATOM 546 CA ARG A 39 3.439 2.820 -5.422 1.00 0.00 C ATOM 547 C ARG A 39 2.760 3.994 -6.123 1.00 0.00 C ATOM 548 O ARG A 39 3.391 5.012 -6.405 1.00 0.00 O ATOM 549 CB ARG A 39 3.858 1.770 -6.453 1.00 0.00 C ATOM 550 CG ARG A 39 4.646 0.615 -5.859 1.00 0.00 C ATOM 551 CD ARG A 39 4.927 -0.460 -6.897 1.00 0.00 C ATOM 552 NE ARG A 39 3.870 -1.467 -6.942 1.00 0.00 N ATOM 553 CZ ARG A 39 3.636 -2.241 -7.996 1.00 0.00 C ATOM 554 NH1 ARG A 39 4.381 -2.124 -9.087 1.00 0.00 N ATOM 555 NH2 ARG A 39 2.655 -3.134 -7.961 1.00 0.00 N ATOM 0 H ARG A 39 2.362 1.237 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 39 4.327 3.189 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.967 1.377 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.459 2.250 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.587 0.986 -5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.089 0.183 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.029 0.002 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.878 -0.942 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 39 3.279 -1.582 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.136 -1.439 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.199 -2.720 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.079 -3.227 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.477 -3.728 -8.771 1.00 0.00 H new ATOM 569 N LYS A 40 1.470 3.843 -6.401 1.00 0.00 N ATOM 570 CA LYS A 40 0.703 4.889 -7.068 1.00 0.00 C ATOM 571 C LYS A 40 0.583 6.125 -6.181 1.00 0.00 C ATOM 572 O LYS A 40 0.650 7.255 -6.664 1.00 0.00 O ATOM 573 CB LYS A 40 -0.690 4.374 -7.434 1.00 0.00 C ATOM 574 CG LYS A 40 -0.674 3.042 -8.164 1.00 0.00 C ATOM 575 CD LYS A 40 -1.989 2.783 -8.881 1.00 0.00 C ATOM 576 CE LYS A 40 -2.975 2.046 -7.988 1.00 0.00 C ATOM 577 NZ LYS A 40 -4.068 1.412 -8.775 1.00 0.00 N ATOM 0 H LYS A 40 0.933 3.006 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 40 1.232 5.167 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.281 4.273 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.190 5.115 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.143 3.031 -8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.482 2.239 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.423 3.730 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.804 2.198 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.447 1.281 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.403 2.743 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.719 0.920 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.588 2.144 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.662 0.729 -9.445 1.00 0.00 H new ATOM 591 N ALA A 41 0.408 5.901 -4.883 1.00 0.00 N ATOM 592 CA ALA A 41 0.283 6.997 -3.929 1.00 0.00 C ATOM 593 C ALA A 41 1.609 7.728 -3.756 1.00 0.00 C ATOM 594 O ALA A 41 1.686 8.946 -3.925 1.00 0.00 O ATOM 595 CB ALA A 41 -0.214 6.475 -2.589 1.00 0.00 C ATOM 0 H ALA A 41 0.350 4.971 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.444 7.708 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.303 7.303 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.188 6.005 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.493 5.743 -2.199 1.00 0.00 H new ATOM 601 N THR A 42 2.654 6.979 -3.417 1.00 0.00 N ATOM 602 CA THR A 42 3.977 7.556 -3.219 1.00 0.00 C ATOM 603 C THR A 42 4.369 8.447 -4.393 1.00 0.00 C ATOM 604 O THR A 42 5.009 9.484 -4.213 1.00 0.00 O ATOM 605 CB THR A 42 5.046 6.462 -3.040 1.00 0.00 C ATOM 606 OG1 THR A 42 5.050 5.591 -4.176 1.00 0.00 O ATOM 607 CG2 THR A 42 4.789 5.656 -1.776 1.00 0.00 C ATOM 0 H THR A 42 2.609 5.970 -3.274 1.00 0.00 H new ATOM 0 HA THR A 42 3.927 8.157 -2.311 1.00 0.00 H new ATOM 0 HB THR A 42 6.019 6.946 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.208 5.691 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.557 4.889 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.816 6.318 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.809 5.182 -1.840 1.00 0.00 H new ATOM 615 N THR A 43 3.981 8.037 -5.597 1.00 0.00 N ATOM 616 CA THR A 43 4.293 8.798 -6.800 1.00 0.00 C ATOM 617 C THR A 43 3.594 10.153 -6.790 1.00 0.00 C ATOM 618 O THR A 43 4.228 11.190 -6.988 1.00 0.00 O ATOM 619 CB THR A 43 3.882 8.031 -8.071 1.00 0.00 C ATOM 620 OG1 THR A 43 4.619 6.807 -8.164 1.00 0.00 O ATOM 621 CG2 THR A 43 4.129 8.873 -9.314 1.00 0.00 C ATOM 0 H THR A 43 3.450 7.182 -5.764 1.00 0.00 H new ATOM 0 HA THR A 43 5.372 8.949 -6.808 1.00 0.00 H new ATOM 0 HB THR A 43 2.817 7.809 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.226 6.142 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.831 8.311 -10.199 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.545 9.791 -9.254 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.188 9.121 -9.381 1.00 0.00 H new ATOM 629 N TYR A 44 2.287 10.138 -6.558 1.00 0.00 N ATOM 630 CA TYR A 44 1.502 11.366 -6.524 1.00 0.00 C ATOM 631 C TYR A 44 1.953 12.269 -5.380 1.00 0.00 C ATOM 632 O TYR A 44 2.173 13.466 -5.567 1.00 0.00 O ATOM 633 CB TYR A 44 0.014 11.042 -6.377 1.00 0.00 C ATOM 634 CG TYR A 44 -0.840 12.248 -6.059 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.679 13.440 -6.755 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.807 12.197 -5.063 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.457 14.546 -6.468 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.590 13.297 -4.770 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.411 14.469 -5.475 1.00 0.00 C ATOM 640 OH TYR A 44 -3.188 15.567 -5.185 1.00 0.00 O ATOM 0 H TYR A 44 1.748 9.288 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 44 1.660 11.894 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.343 10.588 -7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.111 10.300 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.067 13.503 -7.534 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.949 11.282 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.319 15.465 -7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.338 13.240 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.997 15.551 -5.738 1.00 0.00 H new ATOM 650 N LEU A 45 2.088 11.686 -4.194 1.00 0.00 N ATOM 651 CA LEU A 45 2.513 12.436 -3.017 1.00 0.00 C ATOM 652 C LEU A 45 3.871 13.092 -3.250 1.00 0.00 C ATOM 653 O LEU A 45 4.083 14.249 -2.889 1.00 0.00 O ATOM 654 CB LEU A 45 2.583 11.515 -1.798 1.00 0.00 C ATOM 655 CG LEU A 45 1.251 11.211 -1.110 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.406 10.055 -0.134 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.727 12.448 -0.395 1.00 0.00 C ATOM 0 H LEU A 45 1.909 10.697 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 45 1.778 13.219 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.034 10.572 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.253 11.965 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 45 0.527 10.921 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.448 9.853 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.737 9.167 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.144 10.316 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.221 12.214 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.449 12.767 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.577 13.250 -1.118 1.00 0.00 H new ATOM 669 N SER A 46 4.786 12.345 -3.859 1.00 0.00 N ATOM 670 CA SER A 46 6.124 12.853 -4.140 1.00 0.00 C ATOM 671 C SER A 46 6.075 13.966 -5.182 1.00 0.00 C ATOM 672 O SER A 46 7.042 14.704 -5.363 1.00 0.00 O ATOM 673 CB SER A 46 7.030 11.722 -4.628 1.00 0.00 C ATOM 674 OG SER A 46 6.725 11.365 -5.966 1.00 0.00 O ATOM 0 H SER A 46 4.626 11.386 -4.167 1.00 0.00 H new ATOM 0 HA SER A 46 6.532 13.262 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.073 12.032 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.913 10.853 -3.981 1.00 0.00 H new ATOM 0 HG SER A 46 5.759 11.230 -6.056 1.00 0.00 H new ATOM 680 N GLU A 47 4.939 14.080 -5.864 1.00 0.00 N ATOM 681 CA GLU A 47 4.764 15.102 -6.889 1.00 0.00 C ATOM 682 C GLU A 47 4.102 16.348 -6.307 1.00 0.00 C ATOM 683 O GLU A 47 4.310 17.459 -6.794 1.00 0.00 O ATOM 684 CB GLU A 47 3.923 14.557 -8.046 1.00 0.00 C ATOM 685 CG GLU A 47 4.706 13.681 -9.009 1.00 0.00 C ATOM 686 CD GLU A 47 4.125 13.689 -10.409 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.026 14.781 -11.005 1.00 0.00 O ATOM 688 OE2 GLU A 47 3.769 12.601 -10.909 1.00 0.00 O ATOM 0 H GLU A 47 4.127 13.478 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 47 5.750 15.377 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.091 13.982 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.493 15.394 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.740 14.023 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.723 12.658 -8.632 1.00 0.00 H new ATOM 695 N ALA A 48 3.303 16.153 -5.263 1.00 0.00 N ATOM 696 CA ALA A 48 2.612 17.260 -4.613 1.00 0.00 C ATOM 697 C ALA A 48 3.600 18.315 -4.127 1.00 0.00 C ATOM 698 O ALA A 48 3.427 19.506 -4.384 1.00 0.00 O ATOM 699 CB ALA A 48 1.770 16.749 -3.454 1.00 0.00 C ATOM 0 H ALA A 48 3.118 15.239 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 48 1.955 17.726 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.260 17.586 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.032 16.038 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.414 16.255 -2.726 1.00 0.00 H new ATOM 705 N MET A 49 4.636 17.869 -3.423 1.00 0.00 N ATOM 706 CA MET A 49 5.652 18.776 -2.902 1.00 0.00 C ATOM 707 C MET A 49 6.288 19.585 -4.028 1.00 0.00 C ATOM 708 O MET A 49 6.298 20.816 -3.993 1.00 0.00 O ATOM 709 CB MET A 49 6.729 17.992 -2.150 1.00 0.00 C ATOM 710 CG MET A 49 7.317 16.844 -2.954 1.00 0.00 C ATOM 711 SD MET A 49 8.204 15.658 -1.925 1.00 0.00 S ATOM 712 CE MET A 49 7.009 15.382 -0.619 1.00 0.00 C ATOM 0 H MET A 49 4.794 16.886 -3.201 1.00 0.00 H new ATOM 0 HA MET A 49 5.167 19.466 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.531 18.673 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.303 17.598 -1.227 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.516 16.330 -3.486 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.995 17.244 -3.708 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.073 14.348 -0.279 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.220 16.052 0.215 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.005 15.578 -0.997 1.00 0.00 H new ATOM 722 N LYS A 50 6.819 18.886 -5.025 1.00 0.00 N ATOM 723 CA LYS A 50 7.457 19.539 -6.163 1.00 0.00 C ATOM 724 C LYS A 50 6.517 20.554 -6.805 1.00 0.00 C ATOM 725 O LYS A 50 6.944 21.398 -7.594 1.00 0.00 O ATOM 726 CB LYS A 50 7.885 18.498 -7.200 1.00 0.00 C ATOM 727 CG LYS A 50 8.631 17.316 -6.603 1.00 0.00 C ATOM 728 CD LYS A 50 9.254 16.448 -7.683 1.00 0.00 C ATOM 729 CE LYS A 50 8.213 15.572 -8.363 1.00 0.00 C ATOM 730 NZ LYS A 50 8.083 14.246 -7.697 1.00 0.00 N ATOM 0 H LYS A 50 6.820 17.867 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 50 8.339 20.066 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.001 18.133 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.519 18.979 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.409 17.677 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.946 16.717 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.739 17.081 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.029 15.820 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.248 16.080 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.486 15.428 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.245 13.753 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.932 13.676 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.982 14.381 -6.671 1.00 0.00 H new ATOM 744 N LEU A 51 5.237 20.469 -6.460 1.00 0.00 N ATOM 745 CA LEU A 51 4.236 21.382 -7.002 1.00 0.00 C ATOM 746 C LEU A 51 3.983 22.542 -6.045 1.00 0.00 C ATOM 747 O LEU A 51 4.231 23.702 -6.378 1.00 0.00 O ATOM 748 CB LEU A 51 2.929 20.635 -7.273 1.00 0.00 C ATOM 749 CG LEU A 51 1.730 21.501 -7.660 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.939 22.121 -9.033 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.449 20.680 -7.634 1.00 0.00 C ATOM 0 H LEU A 51 4.868 19.777 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 51 4.618 21.785 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.104 19.914 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.668 20.065 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 51 1.638 22.306 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.075 22.734 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.834 22.743 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.058 21.331 -9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.394 21.312 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.532 19.854 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.291 20.285 -6.631 1.00 0.00 H new ATOM 763 N THR A 52 3.490 22.223 -4.853 1.00 0.00 N ATOM 764 CA THR A 52 3.204 23.237 -3.846 1.00 0.00 C ATOM 765 C THR A 52 4.356 24.228 -3.722 1.00 0.00 C ATOM 766 O THR A 52 5.524 23.842 -3.750 1.00 0.00 O ATOM 767 CB THR A 52 2.937 22.603 -2.468 1.00 0.00 C ATOM 768 OG1 THR A 52 2.139 23.484 -1.670 1.00 0.00 O ATOM 769 CG2 THR A 52 4.243 22.301 -1.749 1.00 0.00 C ATOM 0 H THR A 52 3.280 21.269 -4.561 1.00 0.00 H new ATOM 0 HA THR A 52 2.308 23.764 -4.174 1.00 0.00 H new ATOM 0 HB THR A 52 2.401 21.667 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.587 22.958 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.029 21.854 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.835 21.607 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.802 23.226 -1.607 1.00 0.00 H new ATOM 777 N GLU A 53 4.019 25.506 -3.583 1.00 0.00 N ATOM 778 CA GLU A 53 5.027 26.552 -3.455 1.00 0.00 C ATOM 779 C GLU A 53 5.209 26.956 -1.995 1.00 0.00 C ATOM 780 O GLU A 53 5.758 28.017 -1.697 1.00 0.00 O ATOM 781 CB GLU A 53 4.636 27.774 -4.289 1.00 0.00 C ATOM 782 CG GLU A 53 5.819 28.638 -4.694 1.00 0.00 C ATOM 783 CD GLU A 53 5.454 29.672 -5.741 1.00 0.00 C ATOM 784 OE1 GLU A 53 5.044 29.275 -6.851 1.00 0.00 O ATOM 785 OE2 GLU A 53 5.578 30.880 -5.449 1.00 0.00 O ATOM 0 H GLU A 53 3.056 25.842 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 53 5.973 26.156 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.117 27.439 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.931 28.381 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.214 29.143 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.615 28.001 -5.080 1.00 0.00 H new ATOM 792 N SER A 54 4.742 26.104 -1.088 1.00 0.00 N ATOM 793 CA SER A 54 4.848 26.373 0.341 1.00 0.00 C ATOM 794 C SER A 54 5.834 25.416 1.003 1.00 0.00 C ATOM 795 O SER A 54 6.161 24.366 0.450 1.00 0.00 O ATOM 796 CB SER A 54 3.476 26.251 1.008 1.00 0.00 C ATOM 797 OG SER A 54 3.403 27.054 2.173 1.00 0.00 O ATOM 0 H SER A 54 4.286 25.221 -1.318 1.00 0.00 H new ATOM 0 HA SER A 54 5.216 27.391 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.699 26.552 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.285 25.210 1.268 1.00 0.00 H new ATOM 0 HG SER A 54 2.516 26.960 2.580 1.00 0.00 H new ATOM 803 N GLU A 55 6.304 25.787 2.189 1.00 0.00 N ATOM 804 CA GLU A 55 7.254 24.962 2.926 1.00 0.00 C ATOM 805 C GLU A 55 6.528 23.907 3.758 1.00 0.00 C ATOM 806 O GLU A 55 6.728 22.708 3.568 1.00 0.00 O ATOM 807 CB GLU A 55 8.123 25.833 3.835 1.00 0.00 C ATOM 808 CG GLU A 55 9.015 25.036 4.772 1.00 0.00 C ATOM 809 CD GLU A 55 9.898 25.920 5.631 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.457 26.901 5.095 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.029 25.632 6.839 1.00 0.00 O ATOM 0 H GLU A 55 6.043 26.653 2.660 1.00 0.00 H new ATOM 0 HA GLU A 55 7.892 24.455 2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.746 26.480 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.478 26.483 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.394 24.414 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.641 24.363 4.186 1.00 0.00 H new ATOM 818 N GLN A 56 5.686 24.365 4.678 1.00 0.00 N ATOM 819 CA GLN A 56 4.932 23.462 5.539 1.00 0.00 C ATOM 820 C GLN A 56 4.286 22.346 4.725 1.00 0.00 C ATOM 821 O GLN A 56 4.415 21.168 5.056 1.00 0.00 O ATOM 822 CB GLN A 56 3.859 24.234 6.309 1.00 0.00 C ATOM 823 CG GLN A 56 4.391 24.951 7.540 1.00 0.00 C ATOM 824 CD GLN A 56 3.287 25.399 8.477 1.00 0.00 C ATOM 825 OE1 GLN A 56 2.320 26.034 8.056 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.426 25.071 9.756 1.00 0.00 N ATOM 0 H GLN A 56 5.509 25.355 4.846 1.00 0.00 H new ATOM 0 HA GLN A 56 5.627 23.014 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.401 24.965 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.073 23.542 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.071 24.289 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.972 25.819 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.244 24.544 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.715 25.346 10.433 1.00 0.00 H new ATOM 835 N ALA A 57 3.590 22.726 3.658 1.00 0.00 N ATOM 836 CA ALA A 57 2.925 21.758 2.795 1.00 0.00 C ATOM 837 C ALA A 57 3.890 20.664 2.351 1.00 0.00 C ATOM 838 O ALA A 57 3.552 19.480 2.364 1.00 0.00 O ATOM 839 CB ALA A 57 2.322 22.455 1.585 1.00 0.00 C ATOM 0 H ALA A 57 3.472 23.698 3.371 1.00 0.00 H new ATOM 0 HA ALA A 57 2.124 21.290 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.829 21.719 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.593 23.195 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.111 22.951 1.020 1.00 0.00 H new ATOM 845 N HIS A 58 5.094 21.067 1.958 1.00 0.00 N ATOM 846 CA HIS A 58 6.109 20.121 1.509 1.00 0.00 C ATOM 847 C HIS A 58 6.460 19.134 2.619 1.00 0.00 C ATOM 848 O HIS A 58 6.882 18.008 2.353 1.00 0.00 O ATOM 849 CB HIS A 58 7.366 20.864 1.056 1.00 0.00 C ATOM 850 CG HIS A 58 8.508 19.958 0.714 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.132 19.151 1.642 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.137 19.732 -0.463 1.00 0.00 C ATOM 853 CE1 HIS A 58 10.097 18.469 1.050 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.121 18.803 -0.227 1.00 0.00 N ATOM 0 H HIS A 58 5.391 22.043 1.941 1.00 0.00 H new ATOM 0 HA HIS A 58 5.702 19.564 0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.124 21.474 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.679 21.547 1.846 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.908 20.196 -1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.754 17.759 1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.765 18.432 -0.925 1.00 0.00 H new ATOM 863 N LEU A 59 6.284 19.564 3.864 1.00 0.00 N ATOM 864 CA LEU A 59 6.583 18.720 5.015 1.00 0.00 C ATOM 865 C LEU A 59 5.516 17.644 5.193 1.00 0.00 C ATOM 866 O LEU A 59 5.827 16.458 5.295 1.00 0.00 O ATOM 867 CB LEU A 59 6.684 19.569 6.283 1.00 0.00 C ATOM 868 CG LEU A 59 7.474 20.872 6.157 1.00 0.00 C ATOM 869 CD1 LEU A 59 7.713 21.485 7.528 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.795 20.627 5.443 1.00 0.00 C ATOM 0 H LEU A 59 5.936 20.493 4.102 1.00 0.00 H new ATOM 0 HA LEU A 59 7.540 18.230 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.675 19.810 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.142 18.964 7.066 1.00 0.00 H new ATOM 0 HG LEU A 59 6.888 21.575 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.277 22.412 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.755 21.697 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.278 20.787 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.344 21.565 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.387 19.908 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.602 20.232 4.445 1.00 0.00 H new ATOM 882 N SER A 60 4.256 18.067 5.226 1.00 0.00 N ATOM 883 CA SER A 60 3.143 17.141 5.393 1.00 0.00 C ATOM 884 C SER A 60 3.246 15.983 4.404 1.00 0.00 C ATOM 885 O SER A 60 2.651 14.924 4.606 1.00 0.00 O ATOM 886 CB SER A 60 1.812 17.871 5.203 1.00 0.00 C ATOM 887 OG SER A 60 0.781 17.258 5.958 1.00 0.00 O ATOM 0 H SER A 60 3.981 19.045 5.139 1.00 0.00 H new ATOM 0 HA SER A 60 3.187 16.737 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.919 18.913 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.542 17.872 4.147 1.00 0.00 H new ATOM 0 HG SER A 60 0.122 17.934 6.221 1.00 0.00 H new ATOM 893 N LEU A 61 4.007 16.193 3.336 1.00 0.00 N ATOM 894 CA LEU A 61 4.190 15.168 2.314 1.00 0.00 C ATOM 895 C LEU A 61 5.408 14.302 2.623 1.00 0.00 C ATOM 896 O LEU A 61 5.319 13.075 2.647 1.00 0.00 O ATOM 897 CB LEU A 61 4.347 15.814 0.937 1.00 0.00 C ATOM 898 CG LEU A 61 3.278 16.838 0.550 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.725 17.646 -0.658 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.952 16.145 0.270 1.00 0.00 C ATOM 0 H LEU A 61 4.507 17.063 3.155 1.00 0.00 H new ATOM 0 HA LEU A 61 3.305 14.532 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.321 16.302 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.354 15.024 0.186 1.00 0.00 H new ATOM 0 HG LEU A 61 3.138 17.522 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.952 18.369 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.650 18.173 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.894 16.976 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.203 16.889 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.077 15.437 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.624 15.612 1.163 1.00 0.00 H new ATOM 912 N GLU A 62 6.543 14.951 2.862 1.00 0.00 N ATOM 913 CA GLU A 62 7.778 14.240 3.171 1.00 0.00 C ATOM 914 C GLU A 62 7.575 13.281 4.341 1.00 0.00 C ATOM 915 O GLU A 62 8.303 12.298 4.486 1.00 0.00 O ATOM 916 CB GLU A 62 8.896 15.232 3.499 1.00 0.00 C ATOM 917 CG GLU A 62 8.962 15.610 4.969 1.00 0.00 C ATOM 918 CD GLU A 62 10.039 16.638 5.258 1.00 0.00 C ATOM 919 OE1 GLU A 62 11.233 16.306 5.100 1.00 0.00 O ATOM 920 OE2 GLU A 62 9.689 17.773 5.644 1.00 0.00 O ATOM 0 H GLU A 62 6.633 15.967 2.848 1.00 0.00 H new ATOM 0 HA GLU A 62 8.063 13.660 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.852 14.801 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.754 16.136 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.995 16.004 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.150 14.715 5.563 1.00 0.00 H new ATOM 927 N LEU A 63 6.582 13.574 5.173 1.00 0.00 N ATOM 928 CA LEU A 63 6.283 12.739 6.331 1.00 0.00 C ATOM 929 C LEU A 63 5.307 11.626 5.962 1.00 0.00 C ATOM 930 O LEU A 63 5.578 10.449 6.196 1.00 0.00 O ATOM 931 CB LEU A 63 5.699 13.590 7.461 1.00 0.00 C ATOM 932 CG LEU A 63 6.695 14.464 8.225 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.961 15.475 9.092 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.619 13.602 9.073 1.00 0.00 C ATOM 0 H LEU A 63 5.970 14.383 5.067 1.00 0.00 H new ATOM 0 HA LEU A 63 7.214 12.284 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.927 14.235 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.208 12.926 8.173 1.00 0.00 H new ATOM 0 HG LEU A 63 7.302 15.009 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.685 16.088 9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.341 16.113 8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.329 14.949 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.321 14.240 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.028 13.030 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.171 12.917 8.429 1.00 0.00 H new ATOM 946 N GLN A 64 4.173 12.008 5.382 1.00 0.00 N ATOM 947 CA GLN A 64 3.159 11.041 4.980 1.00 0.00 C ATOM 948 C GLN A 64 3.746 9.998 4.034 1.00 0.00 C ATOM 949 O GLN A 64 3.449 8.808 4.146 1.00 0.00 O ATOM 950 CB GLN A 64 1.984 11.753 4.307 1.00 0.00 C ATOM 951 CG GLN A 64 0.719 10.913 4.244 1.00 0.00 C ATOM 952 CD GLN A 64 -0.120 11.025 5.502 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.227 10.471 6.545 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.232 11.746 5.409 1.00 0.00 N ATOM 0 H GLN A 64 3.934 12.979 5.180 1.00 0.00 H new ATOM 0 HA GLN A 64 2.802 10.533 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.771 12.675 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.273 12.036 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.123 11.224 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.988 9.869 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.481 12.188 4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.837 11.858 6.223 1.00 0.00 H new ATOM 963 N ARG A 65 4.579 10.452 3.104 1.00 0.00 N ATOM 964 CA ARG A 65 5.206 9.559 2.138 1.00 0.00 C ATOM 965 C ARG A 65 5.952 8.431 2.845 1.00 0.00 C ATOM 966 O ARG A 65 5.832 7.264 2.470 1.00 0.00 O ATOM 967 CB ARG A 65 6.169 10.338 1.240 1.00 0.00 C ATOM 968 CG ARG A 65 6.510 9.620 -0.055 1.00 0.00 C ATOM 969 CD ARG A 65 6.899 10.601 -1.150 1.00 0.00 C ATOM 970 NE ARG A 65 8.054 11.411 -0.774 1.00 0.00 N ATOM 971 CZ ARG A 65 9.310 10.992 -0.876 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.572 9.777 -1.339 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.308 11.788 -0.514 1.00 0.00 N ATOM 0 H ARG A 65 4.835 11.434 2.999 1.00 0.00 H new ATOM 0 HA ARG A 65 4.420 9.122 1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.729 11.307 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.089 10.532 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.330 8.923 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.654 9.030 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.123 10.053 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.054 11.254 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 65 7.887 12.350 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.808 9.162 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.538 9.458 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.111 12.723 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.272 11.465 -0.593 1.00 0.00 H new ATOM 987 N ASP A 66 6.720 8.787 3.867 1.00 0.00 N ATOM 988 CA ASP A 66 7.485 7.805 4.628 1.00 0.00 C ATOM 989 C ASP A 66 6.710 6.499 4.764 1.00 0.00 C ATOM 990 O ASP A 66 7.138 5.457 4.268 1.00 0.00 O ATOM 991 CB ASP A 66 7.828 8.356 6.013 1.00 0.00 C ATOM 992 CG ASP A 66 8.574 7.350 6.867 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.463 6.657 6.328 1.00 0.00 O ATOM 994 OD2 ASP A 66 8.270 7.255 8.075 1.00 0.00 O ATOM 0 H ASP A 66 6.830 9.749 4.189 1.00 0.00 H new ATOM 0 HA ASP A 66 8.409 7.603 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.434 9.255 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.910 8.650 6.522 1.00 0.00 H new ATOM 999 N SER A 67 5.567 6.563 5.439 1.00 0.00 N ATOM 1000 CA SER A 67 4.734 5.384 5.645 1.00 0.00 C ATOM 1001 C SER A 67 4.379 4.730 4.313 1.00 0.00 C ATOM 1002 O SER A 67 4.678 3.558 4.084 1.00 0.00 O ATOM 1003 CB SER A 67 3.456 5.761 6.397 1.00 0.00 C ATOM 1004 OG SER A 67 2.690 6.700 5.662 1.00 0.00 O ATOM 0 H SER A 67 5.197 7.419 5.853 1.00 0.00 H new ATOM 0 HA SER A 67 5.301 4.669 6.242 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.861 4.866 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.713 6.179 7.370 1.00 0.00 H new ATOM 0 HG SER A 67 3.279 7.403 5.316 1.00 0.00 H new ATOM 1010 N HIS A 68 3.738 5.498 3.436 1.00 0.00 N ATOM 1011 CA HIS A 68 3.342 4.995 2.126 1.00 0.00 C ATOM 1012 C HIS A 68 4.417 4.079 1.548 1.00 0.00 C ATOM 1013 O HIS A 68 4.124 3.187 0.752 1.00 0.00 O ATOM 1014 CB HIS A 68 3.077 6.157 1.169 1.00 0.00 C ATOM 1015 CG HIS A 68 1.700 6.733 1.293 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.557 6.020 0.998 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.285 7.960 1.684 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.501 6.785 1.201 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.086 7.967 1.618 1.00 0.00 N ATOM 0 H HIS A 68 3.482 6.470 3.610 1.00 0.00 H new ATOM 0 HA HIS A 68 2.425 4.418 2.248 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.809 6.943 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.228 5.815 0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.915 8.781 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.530 6.493 1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.687 8.757 1.853 1.00 0.00 H new ATOM 1028 N MET A 69 5.663 4.308 1.952 1.00 0.00 N ATOM 1029 CA MET A 69 6.781 3.504 1.474 1.00 0.00 C ATOM 1030 C MET A 69 7.122 2.401 2.471 1.00 0.00 C ATOM 1031 O MET A 69 7.465 1.283 2.083 1.00 0.00 O ATOM 1032 CB MET A 69 8.007 4.387 1.233 1.00 0.00 C ATOM 1033 CG MET A 69 7.896 5.254 -0.010 1.00 0.00 C ATOM 1034 SD MET A 69 8.603 4.468 -1.471 1.00 0.00 S ATOM 1035 CE MET A 69 8.041 2.781 -1.252 1.00 0.00 C ATOM 0 H MET A 69 5.923 5.044 2.609 1.00 0.00 H new ATOM 0 HA MET A 69 6.486 3.041 0.532 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.159 5.028 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.890 3.753 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.847 5.482 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.401 6.203 0.168 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.457 2.154 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.371 2.411 -0.281 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.953 2.751 -1.301 1.00 0.00 H new ATOM 1045 N LYS A 70 7.028 2.721 3.756 1.00 0.00 N ATOM 1046 CA LYS A 70 7.325 1.758 4.810 1.00 0.00 C ATOM 1047 C LYS A 70 6.459 0.511 4.667 1.00 0.00 C ATOM 1048 O LYS A 70 6.891 -0.596 4.990 1.00 0.00 O ATOM 1049 CB LYS A 70 7.104 2.391 6.185 1.00 0.00 C ATOM 1050 CG LYS A 70 5.698 2.195 6.726 1.00 0.00 C ATOM 1051 CD LYS A 70 5.562 2.746 8.136 1.00 0.00 C ATOM 1052 CE LYS A 70 6.298 1.879 9.146 1.00 0.00 C ATOM 1053 NZ LYS A 70 7.714 2.308 9.317 1.00 0.00 N ATOM 0 H LYS A 70 6.748 3.642 4.094 1.00 0.00 H new ATOM 0 HA LYS A 70 8.371 1.465 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.818 1.966 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.315 3.459 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.982 2.690 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.451 1.133 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.956 3.762 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.507 2.804 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.786 1.926 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.270 0.839 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.346 1.508 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.921 3.091 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.865 2.625 10.296 1.00 0.00 H new ATOM 1067 N GLN A 71 5.236 0.698 4.181 1.00 0.00 N ATOM 1068 CA GLN A 71 4.310 -0.413 3.995 1.00 0.00 C ATOM 1069 C GLN A 71 4.685 -1.235 2.766 1.00 0.00 C ATOM 1070 O GLN A 71 4.481 -2.449 2.732 1.00 0.00 O ATOM 1071 CB GLN A 71 2.878 0.106 3.859 1.00 0.00 C ATOM 1072 CG GLN A 71 2.312 0.676 5.149 1.00 0.00 C ATOM 1073 CD GLN A 71 1.939 -0.401 6.149 1.00 0.00 C ATOM 1074 OE1 GLN A 71 0.818 -0.910 6.141 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.879 -0.755 7.017 1.00 0.00 N ATOM 0 H GLN A 71 4.864 1.608 3.909 1.00 0.00 H new ATOM 0 HA GLN A 71 4.374 -1.056 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.851 0.877 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.237 -0.707 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.045 1.345 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.431 1.276 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.795 -0.307 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.685 -1.475 7.713 1.00 0.00 H new ATOM 1084 N LEU A 72 5.233 -0.566 1.758 1.00 0.00 N ATOM 1085 CA LEU A 72 5.637 -1.234 0.526 1.00 0.00 C ATOM 1086 C LEU A 72 6.758 -2.233 0.790 1.00 0.00 C ATOM 1087 O LEU A 72 6.707 -3.375 0.333 1.00 0.00 O ATOM 1088 CB LEU A 72 6.089 -0.204 -0.511 1.00 0.00 C ATOM 1089 CG LEU A 72 6.698 -0.768 -1.795 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.861 -1.923 -2.321 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.827 0.323 -2.848 1.00 0.00 C ATOM 0 H LEU A 72 5.408 0.439 1.770 1.00 0.00 H new ATOM 0 HA LEU A 72 4.776 -1.778 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.231 0.412 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.821 0.455 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 72 7.695 -1.144 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.310 -2.311 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.821 -2.714 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.851 -1.573 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.262 -0.096 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.841 0.730 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.470 1.118 -2.471 1.00 0.00 H new ATOM 1103 N LEU A 73 7.770 -1.796 1.532 1.00 0.00 N ATOM 1104 CA LEU A 73 8.904 -2.652 1.860 1.00 0.00 C ATOM 1105 C LEU A 73 8.486 -3.770 2.810 1.00 0.00 C ATOM 1106 O LEU A 73 9.060 -4.860 2.795 1.00 0.00 O ATOM 1107 CB LEU A 73 10.027 -1.826 2.490 1.00 0.00 C ATOM 1108 CG LEU A 73 10.251 -0.435 1.897 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.374 0.283 2.629 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.558 -0.533 0.409 1.00 0.00 C ATOM 0 H LEU A 73 7.828 -0.854 1.918 1.00 0.00 H new ATOM 0 HA LEU A 73 9.267 -3.102 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.817 -1.716 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.956 -2.389 2.405 1.00 0.00 H new ATOM 0 HG LEU A 73 9.336 0.144 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.519 1.271 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.114 0.386 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.295 -0.293 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.715 0.466 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.458 -1.130 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.721 -1.006 -0.105 1.00 0.00 H new ATOM 1122 N LEU A 74 7.480 -3.495 3.633 1.00 0.00 N ATOM 1123 CA LEU A 74 6.982 -4.478 4.588 1.00 0.00 C ATOM 1124 C LEU A 74 6.105 -5.515 3.895 1.00 0.00 C ATOM 1125 O LEU A 74 6.189 -6.709 4.186 1.00 0.00 O ATOM 1126 CB LEU A 74 6.191 -3.784 5.699 1.00 0.00 C ATOM 1127 CG LEU A 74 7.009 -3.264 6.881 1.00 0.00 C ATOM 1128 CD1 LEU A 74 6.157 -2.369 7.767 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.583 -4.422 7.684 1.00 0.00 C ATOM 0 H LEU A 74 6.993 -2.599 3.658 1.00 0.00 H new ATOM 0 HA LEU A 74 7.839 -4.989 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.648 -2.946 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.446 -4.483 6.078 1.00 0.00 H new ATOM 0 HG LEU A 74 7.838 -2.673 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.756 -2.008 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.796 -1.520 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.307 -2.936 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.162 -4.032 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.769 -5.041 8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.229 -5.023 7.044 1.00 0.00 H new ATOM 1141 N ILE A 75 5.264 -5.052 2.975 1.00 0.00 N ATOM 1142 CA ILE A 75 4.374 -5.940 2.238 1.00 0.00 C ATOM 1143 C ILE A 75 5.158 -6.840 1.289 1.00 0.00 C ATOM 1144 O ILE A 75 4.927 -8.047 1.231 1.00 0.00 O ATOM 1145 CB ILE A 75 3.330 -5.147 1.431 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.337 -4.463 2.374 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.600 -6.066 0.462 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.481 -3.418 1.694 1.00 0.00 C ATOM 0 H ILE A 75 5.181 -4.067 2.723 1.00 0.00 H new ATOM 0 HA ILE A 75 3.860 -6.555 2.976 1.00 0.00 H new ATOM 0 HB ILE A 75 3.845 -4.378 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.689 -5.219 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.887 -3.995 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.865 -5.491 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.317 -6.512 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.094 -6.854 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.801 -2.975 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.120 -2.641 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.904 -3.884 0.895 1.00 0.00 H new ATOM 1160 N GLN A 76 6.086 -6.243 0.548 1.00 0.00 N ATOM 1161 CA GLN A 76 6.905 -6.991 -0.399 1.00 0.00 C ATOM 1162 C GLN A 76 7.552 -8.197 0.275 1.00 0.00 C ATOM 1163 O GLN A 76 7.433 -9.324 -0.203 1.00 0.00 O ATOM 1164 CB GLN A 76 7.983 -6.087 -0.998 1.00 0.00 C ATOM 1165 CG GLN A 76 7.477 -5.199 -2.124 1.00 0.00 C ATOM 1166 CD GLN A 76 8.600 -4.623 -2.963 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.123 -5.286 -3.860 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.977 -3.383 -2.676 1.00 0.00 N ATOM 0 H GLN A 76 6.290 -5.244 0.585 1.00 0.00 H new ATOM 0 HA GLN A 76 6.256 -7.349 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.398 -5.459 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.797 -6.707 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.809 -5.776 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.889 -4.384 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.516 -2.871 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.728 -2.942 -3.207 1.00 0.00 H new ATOM 1177 N GLU A 77 8.236 -7.950 1.388 1.00 0.00 N ATOM 1178 CA GLU A 77 8.903 -9.016 2.126 1.00 0.00 C ATOM 1179 C GLU A 77 7.888 -10.019 2.668 1.00 0.00 C ATOM 1180 O GLU A 77 8.136 -11.225 2.676 1.00 0.00 O ATOM 1181 CB GLU A 77 9.724 -8.433 3.278 1.00 0.00 C ATOM 1182 CG GLU A 77 8.881 -7.753 4.344 1.00 0.00 C ATOM 1183 CD GLU A 77 9.664 -7.461 5.609 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.163 -8.422 6.232 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.778 -6.274 5.977 1.00 0.00 O ATOM 0 H GLU A 77 8.343 -7.022 1.798 1.00 0.00 H new ATOM 0 HA GLU A 77 9.571 -9.535 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.304 -9.232 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.437 -7.713 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.481 -6.821 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.029 -8.387 4.587 1.00 0.00 H new ATOM 1192 N ARG A 78 6.746 -9.512 3.119 1.00 0.00 N ATOM 1193 CA ARG A 78 5.695 -10.362 3.664 1.00 0.00 C ATOM 1194 C ARG A 78 5.111 -11.265 2.582 1.00 0.00 C ATOM 1195 O ARG A 78 4.483 -12.282 2.880 1.00 0.00 O ATOM 1196 CB ARG A 78 4.587 -9.507 4.283 1.00 0.00 C ATOM 1197 CG ARG A 78 4.947 -8.937 5.645 1.00 0.00 C ATOM 1198 CD ARG A 78 4.987 -10.022 6.710 1.00 0.00 C ATOM 1199 NE ARG A 78 3.652 -10.516 7.039 1.00 0.00 N ATOM 1200 CZ ARG A 78 3.067 -11.528 6.409 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.696 -12.151 5.421 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.851 -11.919 6.766 1.00 0.00 N ATOM 0 H ARG A 78 6.525 -8.516 3.118 1.00 0.00 H new ATOM 0 HA ARG A 78 6.135 -10.990 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.352 -8.686 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.684 -10.110 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.918 -8.444 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.219 -8.176 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.604 -10.850 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.460 -9.629 7.610 1.00 0.00 H new ATOM 0 HE ARG A 78 3.141 -10.058 7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.631 -11.853 5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.244 -12.928 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.364 -11.442 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.402 -12.696 6.281 1.00 0.00 H new ATOM 1216 N TRP A 79 5.321 -10.888 1.327 1.00 0.00 N ATOM 1217 CA TRP A 79 4.815 -11.663 0.200 1.00 0.00 C ATOM 1218 C TRP A 79 5.776 -12.791 -0.160 1.00 0.00 C ATOM 1219 O TRP A 79 5.443 -13.969 -0.031 1.00 0.00 O ATOM 1220 CB TRP A 79 4.595 -10.757 -1.012 1.00 0.00 C ATOM 1221 CG TRP A 79 3.855 -11.428 -2.130 1.00 0.00 C ATOM 1222 CD1 TRP A 79 3.025 -12.508 -2.031 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.881 -11.064 -3.514 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.533 -12.838 -3.271 1.00 0.00 N ATOM 1225 CE2 TRP A 79 3.042 -11.967 -4.197 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.528 -10.063 -4.243 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.837 -11.897 -5.573 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.324 -9.995 -5.608 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.484 -10.907 -6.261 1.00 0.00 C ATOM 0 H TRP A 79 5.839 -10.050 1.063 1.00 0.00 H new ATOM 0 HA TRP A 79 3.862 -12.103 0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.041 -9.872 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.562 -10.414 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.790 -13.026 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.893 -13.607 -3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.176 -9.355 -3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.191 -12.599 -6.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.820 -9.226 -6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.344 -10.827 -7.329 1.00 0.00 H new ATOM 1240 N LYS A 80 6.970 -12.423 -0.613 1.00 0.00 N ATOM 1241 CA LYS A 80 7.981 -13.403 -0.991 1.00 0.00 C ATOM 1242 C LYS A 80 8.021 -14.555 0.008 1.00 0.00 C ATOM 1243 O LYS A 80 8.437 -15.665 -0.327 1.00 0.00 O ATOM 1244 CB LYS A 80 9.357 -12.740 -1.077 1.00 0.00 C ATOM 1245 CG LYS A 80 9.880 -12.249 0.262 1.00 0.00 C ATOM 1246 CD LYS A 80 11.283 -11.678 0.137 1.00 0.00 C ATOM 1247 CE LYS A 80 12.073 -11.854 1.425 1.00 0.00 C ATOM 1248 NZ LYS A 80 13.492 -11.430 1.267 1.00 0.00 N ATOM 0 H LYS A 80 7.261 -11.452 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 80 7.716 -13.803 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.068 -13.451 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.303 -11.898 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.210 -11.486 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.883 -13.072 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.806 -12.171 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.225 -10.619 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.606 -11.272 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.038 -12.899 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.997 -11.565 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.945 -12.002 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.526 -10.426 0.998 1.00 0.00 H new ATOM 1262 N ARG A 81 7.586 -14.285 1.234 1.00 0.00 N ATOM 1263 CA ARG A 81 7.573 -15.300 2.281 1.00 0.00 C ATOM 1264 C ARG A 81 6.247 -16.056 2.288 1.00 0.00 C ATOM 1265 O ARG A 81 6.220 -17.279 2.424 1.00 0.00 O ATOM 1266 CB ARG A 81 7.812 -14.656 3.648 1.00 0.00 C ATOM 1267 CG ARG A 81 9.242 -14.184 3.856 1.00 0.00 C ATOM 1268 CD ARG A 81 9.457 -13.666 5.270 1.00 0.00 C ATOM 1269 NE ARG A 81 9.433 -14.743 6.257 1.00 0.00 N ATOM 1270 CZ ARG A 81 9.488 -14.540 7.568 1.00 0.00 C ATOM 1271 NH1 ARG A 81 9.570 -13.306 8.048 1.00 0.00 N ATOM 1272 NH2 ARG A 81 9.461 -15.571 8.402 1.00 0.00 N ATOM 0 H ARG A 81 7.238 -13.372 1.527 1.00 0.00 H new ATOM 0 HA ARG A 81 8.375 -16.009 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.138 -13.808 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.558 -15.374 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.930 -15.006 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.474 -13.396 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.413 -13.146 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.684 -12.937 5.510 1.00 0.00 H new ATOM 0 HE ARG A 81 9.371 -15.704 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.591 -12.511 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.612 -13.152 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.398 -16.521 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.503 -15.414 9.409 1.00 0.00 H new