USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 27 GLN : amide:sc=-0.000732 K(o=0.12,f=-1.6!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -157:sc= 0.117 (180deg=0) USER MOD Set 2.1: A 58 GLN : amide:sc= -0.605 X(o=-0.79,f=-0.39) USER MOD Set 2.2: A 66 TYR OH : rot 90:sc= -0.185 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 45 SER OG : rot 180:sc= -0.508 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 140:sc= -0.978 USER MOD Single : A 17 SER OG : rot -57:sc= 0.183 USER MOD Single : A 18 GLN : amide:sc= -1.93 K(o=-1.9,f=-4.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -113:sc= -0.33 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -8.18! C(o=-8.2!,f=-24!) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc=-0.00641 (180deg=-0.792) USER MOD Single : A 36 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.011) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.177 K(o=-0.18,f=-7.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.947 K(o=-0.95,f=-2.2!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.547 -13.003 -7.345 1.00 0.00 N ATOM 60 CA GLY A 7 6.874 -11.732 -7.132 1.00 0.00 C ATOM 61 C GLY A 7 7.533 -10.947 -5.996 1.00 0.00 C ATOM 62 O GLY A 7 8.425 -11.457 -5.320 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.901 -11.144 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.824 -11.907 -6.897 1.00 0.00 H new ATOM 66 N LEU A 8 7.069 -9.719 -5.821 1.00 0.00 N ATOM 67 CA LEU A 8 7.602 -8.858 -4.779 1.00 0.00 C ATOM 68 C LEU A 8 6.610 -8.800 -3.615 1.00 0.00 C ATOM 69 O LEU A 8 5.406 -8.661 -3.827 1.00 0.00 O ATOM 70 CB LEU A 8 7.962 -7.485 -5.350 1.00 0.00 C ATOM 71 CG LEU A 8 8.526 -6.471 -4.353 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.841 -5.876 -4.860 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.495 -5.389 -4.028 1.00 0.00 C ATOM 0 H LEU A 8 6.329 -9.299 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 8 8.533 -9.267 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.692 -7.625 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.069 -7.058 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 8 8.747 -6.994 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.220 -5.158 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.572 -6.673 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.670 -5.372 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.922 -4.681 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.219 -4.863 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.608 -5.850 -3.593 1.00 0.00 H new ATOM 85 N GLU A 9 7.152 -8.908 -2.411 1.00 0.00 N ATOM 86 CA GLU A 9 6.330 -8.869 -1.214 1.00 0.00 C ATOM 87 C GLU A 9 6.188 -7.430 -0.715 1.00 0.00 C ATOM 88 O GLU A 9 7.149 -6.663 -0.738 1.00 0.00 O ATOM 89 CB GLU A 9 6.907 -9.773 -0.123 1.00 0.00 C ATOM 90 CG GLU A 9 6.056 -9.711 1.147 1.00 0.00 C ATOM 91 CD GLU A 9 6.866 -10.145 2.371 1.00 0.00 C ATOM 92 OE1 GLU A 9 8.109 -10.038 2.296 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.223 -10.575 3.353 1.00 0.00 O ATOM 0 H GLU A 9 8.151 -9.023 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 9 5.338 -9.246 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.954 -10.800 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.929 -9.468 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.686 -8.696 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.184 -10.355 1.036 1.00 0.00 H new ATOM 100 N VAL A 10 4.980 -7.107 -0.274 1.00 0.00 N ATOM 101 CA VAL A 10 4.700 -5.773 0.230 1.00 0.00 C ATOM 102 C VAL A 10 3.766 -5.875 1.437 1.00 0.00 C ATOM 103 O VAL A 10 2.689 -6.463 1.345 1.00 0.00 O ATOM 104 CB VAL A 10 4.135 -4.898 -0.891 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.824 -3.489 -0.382 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.091 -4.852 -2.085 1.00 0.00 C ATOM 0 H VAL A 10 4.185 -7.746 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 10 5.618 -5.292 0.568 1.00 0.00 H new ATOM 0 HB VAL A 10 3.200 -5.346 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.424 -2.887 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.089 -3.546 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.737 -3.028 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.666 -4.224 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.049 -4.439 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.240 -5.861 -2.471 1.00 0.00 H new ATOM 116 N LEU A 11 4.212 -5.295 2.541 1.00 0.00 N ATOM 117 CA LEU A 11 3.429 -5.313 3.765 1.00 0.00 C ATOM 118 C LEU A 11 2.723 -3.966 3.934 1.00 0.00 C ATOM 119 O LEU A 11 3.169 -2.955 3.394 1.00 0.00 O ATOM 120 CB LEU A 11 4.307 -5.701 4.957 1.00 0.00 C ATOM 121 CG LEU A 11 4.832 -7.138 4.963 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.718 -7.403 3.744 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.554 -7.452 6.275 1.00 0.00 C ATOM 0 H LEU A 11 5.106 -4.809 2.614 1.00 0.00 H new ATOM 0 HA LEU A 11 2.652 -6.076 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.160 -5.023 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.736 -5.540 5.871 1.00 0.00 H new ATOM 0 HG LEU A 11 3.979 -7.814 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.078 -8.431 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.140 -7.246 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.568 -6.721 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.917 -8.479 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.397 -6.772 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.863 -7.329 7.109 1.00 0.00 H new ATOM 135 N VAL A 12 1.632 -3.996 4.686 1.00 0.00 N ATOM 136 CA VAL A 12 0.860 -2.790 4.933 1.00 0.00 C ATOM 137 C VAL A 12 0.435 -2.754 6.402 1.00 0.00 C ATOM 138 O VAL A 12 -0.298 -3.628 6.862 1.00 0.00 O ATOM 139 CB VAL A 12 -0.323 -2.719 3.966 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.285 -1.596 4.358 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.156 -2.552 2.523 1.00 0.00 C ATOM 0 H VAL A 12 1.265 -4.836 5.132 1.00 0.00 H new ATOM 0 HA VAL A 12 1.467 -1.903 4.748 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.865 -3.662 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.117 -1.567 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.666 -1.777 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.759 -0.642 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.705 -2.504 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.734 -1.632 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.782 -3.401 2.247 1.00 0.00 H new ATOM 151 N LYS A 13 0.914 -1.733 7.099 1.00 0.00 N ATOM 152 CA LYS A 13 0.592 -1.571 8.506 1.00 0.00 C ATOM 153 C LYS A 13 -0.389 -0.409 8.671 1.00 0.00 C ATOM 154 O LYS A 13 -0.008 0.753 8.535 1.00 0.00 O ATOM 155 CB LYS A 13 1.871 -1.419 9.333 1.00 0.00 C ATOM 156 CG LYS A 13 1.560 -1.445 10.832 1.00 0.00 C ATOM 157 CD LYS A 13 2.829 -1.223 11.658 1.00 0.00 C ATOM 158 CE LYS A 13 2.579 -1.523 13.137 1.00 0.00 C ATOM 159 NZ LYS A 13 3.846 -1.874 13.816 1.00 0.00 N ATOM 0 H LYS A 13 1.523 -1.010 6.715 1.00 0.00 H new ATOM 0 HA LYS A 13 0.096 -2.463 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.565 -2.223 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.365 -0.482 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.828 -0.673 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.111 -2.402 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.628 -1.863 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.166 -0.193 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.129 -0.655 13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.869 -2.344 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.658 -2.075 14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.259 -2.716 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.512 -1.079 13.741 1.00 0.00 H new ATOM 173 N THR A 14 -1.632 -0.762 8.960 1.00 0.00 N ATOM 174 CA THR A 14 -2.671 0.237 9.145 1.00 0.00 C ATOM 175 C THR A 14 -2.472 0.975 10.471 1.00 0.00 C ATOM 176 O THR A 14 -1.455 0.794 11.139 1.00 0.00 O ATOM 177 CB THR A 14 -4.026 -0.464 9.037 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.895 -1.605 9.880 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.271 -1.054 7.646 1.00 0.00 C ATOM 0 H THR A 14 -1.944 -1.727 9.071 1.00 0.00 H new ATOM 0 HA THR A 14 -2.624 1.004 8.372 1.00 0.00 H new ATOM 0 HB THR A 14 -4.820 0.243 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.728 -1.741 10.378 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.246 -1.540 7.624 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.246 -0.257 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.496 -1.786 7.420 1.00 0.00 H new ATOM 187 N LEU A 15 -3.460 1.789 10.812 1.00 0.00 N ATOM 188 CA LEU A 15 -3.406 2.555 12.046 1.00 0.00 C ATOM 189 C LEU A 15 -4.028 1.734 13.177 1.00 0.00 C ATOM 190 O LEU A 15 -4.808 2.256 13.972 1.00 0.00 O ATOM 191 CB LEU A 15 -4.055 3.927 11.853 1.00 0.00 C ATOM 192 CG LEU A 15 -3.308 4.899 10.937 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.235 5.450 9.851 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.647 6.016 11.747 1.00 0.00 C ATOM 0 H LEU A 15 -4.302 1.935 10.256 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.372 2.754 12.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.058 3.779 11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.168 4.394 12.831 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.511 4.351 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.680 6.138 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.619 4.627 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.067 5.978 10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.123 6.693 11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.410 6.569 12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.936 5.583 12.451 1.00 0.00 H new ATOM 206 N ASP A 16 -3.659 0.462 13.214 1.00 0.00 N ATOM 207 CA ASP A 16 -4.171 -0.437 14.235 1.00 0.00 C ATOM 208 C ASP A 16 -3.270 -1.670 14.321 1.00 0.00 C ATOM 209 O ASP A 16 -3.747 -2.775 14.575 1.00 0.00 O ATOM 210 CB ASP A 16 -5.586 -0.907 13.895 1.00 0.00 C ATOM 211 CG ASP A 16 -6.475 -1.210 15.104 1.00 0.00 C ATOM 212 OD1 ASP A 16 -5.922 -1.729 16.098 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.686 -0.917 15.005 1.00 0.00 O ATOM 0 H ASP A 16 -3.011 0.032 12.553 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.188 0.103 15.182 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.071 -0.142 13.289 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.517 -1.804 13.280 1.00 0.00 H new ATOM 218 N SER A 17 -1.983 -1.441 14.104 1.00 0.00 N ATOM 219 CA SER A 17 -1.012 -2.520 14.153 1.00 0.00 C ATOM 220 C SER A 17 -1.572 -3.761 13.455 1.00 0.00 C ATOM 221 O SER A 17 -1.983 -4.715 14.113 1.00 0.00 O ATOM 222 CB SER A 17 -0.629 -2.850 15.597 1.00 0.00 C ATOM 223 OG SER A 17 0.114 -4.063 15.688 1.00 0.00 O ATOM 0 H SER A 17 -1.590 -0.523 13.894 1.00 0.00 H new ATOM 0 HA SER A 17 -0.112 -2.194 13.632 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.040 -2.032 16.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.532 -2.932 16.202 1.00 0.00 H new ATOM 0 HG SER A 17 -0.405 -4.795 15.294 1.00 0.00 H new ATOM 229 N GLN A 18 -1.569 -3.707 12.131 1.00 0.00 N ATOM 230 CA GLN A 18 -2.072 -4.815 11.337 1.00 0.00 C ATOM 231 C GLN A 18 -1.278 -4.938 10.035 1.00 0.00 C ATOM 232 O GLN A 18 -1.679 -4.397 9.005 1.00 0.00 O ATOM 233 CB GLN A 18 -3.567 -4.653 11.054 1.00 0.00 C ATOM 234 CG GLN A 18 -4.405 -5.137 12.239 1.00 0.00 C ATOM 235 CD GLN A 18 -5.670 -5.852 11.761 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.510 -5.290 11.077 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.759 -7.118 12.157 1.00 0.00 N ATOM 0 H GLN A 18 -1.227 -2.914 11.589 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.942 -5.734 11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.791 -3.606 10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.835 -5.217 10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.812 -5.812 12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.678 -4.289 12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.020 -7.527 12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.567 -7.681 11.889 1.00 0.00 H new ATOM 246 N THR A 19 -0.166 -5.653 10.123 1.00 0.00 N ATOM 247 CA THR A 19 0.688 -5.854 8.964 1.00 0.00 C ATOM 248 C THR A 19 0.156 -7.000 8.102 1.00 0.00 C ATOM 249 O THR A 19 -0.117 -8.087 8.607 1.00 0.00 O ATOM 250 CB THR A 19 2.117 -6.082 9.464 1.00 0.00 C ATOM 251 OG1 THR A 19 2.320 -5.045 10.420 1.00 0.00 O ATOM 252 CG2 THR A 19 3.165 -5.805 8.385 1.00 0.00 C ATOM 0 H THR A 19 0.163 -6.100 10.978 1.00 0.00 H new ATOM 0 HA THR A 19 0.690 -4.977 8.317 1.00 0.00 H new ATOM 0 HB THR A 19 2.220 -7.109 9.815 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.222 -5.119 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.161 -5.982 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.997 -6.467 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.085 -4.768 8.058 1.00 0.00 H new ATOM 260 N ARG A 20 0.025 -6.717 6.814 1.00 0.00 N ATOM 261 CA ARG A 20 -0.470 -7.710 5.876 1.00 0.00 C ATOM 262 C ARG A 20 0.465 -7.814 4.670 1.00 0.00 C ATOM 263 O ARG A 20 0.636 -6.847 3.928 1.00 0.00 O ATOM 264 CB ARG A 20 -1.878 -7.358 5.393 1.00 0.00 C ATOM 265 CG ARG A 20 -2.929 -7.751 6.433 1.00 0.00 C ATOM 266 CD ARG A 20 -4.152 -6.836 6.349 1.00 0.00 C ATOM 267 NE ARG A 20 -4.917 -6.896 7.615 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.215 -6.581 7.724 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.900 -6.180 6.645 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.827 -6.666 8.913 1.00 0.00 N ATOM 0 H ARG A 20 0.253 -5.814 6.398 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.506 -8.668 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.941 -6.288 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.082 -7.870 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.233 -8.786 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.496 -7.695 7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.837 -5.811 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.787 -7.139 5.516 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.425 -7.196 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.434 -6.114 5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.888 -5.940 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.305 -6.970 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.815 -6.426 8.996 1.00 0.00 H new ATOM 284 N THR A 21 1.046 -8.994 4.511 1.00 0.00 N ATOM 285 CA THR A 21 1.960 -9.235 3.407 1.00 0.00 C ATOM 286 C THR A 21 1.184 -9.396 2.098 1.00 0.00 C ATOM 287 O THR A 21 0.138 -10.043 2.068 1.00 0.00 O ATOM 288 CB THR A 21 2.815 -10.454 3.760 1.00 0.00 C ATOM 289 OG1 THR A 21 4.054 -9.896 4.191 1.00 0.00 O ATOM 290 CG2 THR A 21 3.188 -11.284 2.530 1.00 0.00 C ATOM 0 H THR A 21 0.902 -9.793 5.128 1.00 0.00 H new ATOM 0 HA THR A 21 2.626 -8.386 3.251 1.00 0.00 H new ATOM 0 HB THR A 21 2.277 -11.081 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.759 -10.131 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.794 -12.136 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.280 -11.641 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.755 -10.667 1.833 1.00 0.00 H new ATOM 298 N PHE A 22 1.727 -8.796 1.049 1.00 0.00 N ATOM 299 CA PHE A 22 1.099 -8.864 -0.259 1.00 0.00 C ATOM 300 C PHE A 22 2.128 -9.185 -1.345 1.00 0.00 C ATOM 301 O PHE A 22 3.241 -8.664 -1.324 1.00 0.00 O ATOM 302 CB PHE A 22 0.494 -7.487 -0.538 1.00 0.00 C ATOM 303 CG PHE A 22 -0.710 -7.146 0.342 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.867 -7.850 0.214 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.624 -6.140 1.253 1.00 0.00 C ATOM 306 CE1 PHE A 22 -2.984 -7.534 1.031 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.741 -5.823 2.070 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.898 -6.527 1.942 1.00 0.00 C ATOM 0 H PHE A 22 2.595 -8.261 1.078 1.00 0.00 H new ATOM 0 HA PHE A 22 0.343 -9.649 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.263 -6.728 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.191 -7.440 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.936 -8.649 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.295 -5.582 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.902 -8.093 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.672 -5.023 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.748 -6.287 2.563 1.00 0.00 H new ATOM 318 N ILE A 23 1.718 -10.043 -2.269 1.00 0.00 N ATOM 319 CA ILE A 23 2.590 -10.440 -3.361 1.00 0.00 C ATOM 320 C ILE A 23 2.034 -9.893 -4.677 1.00 0.00 C ATOM 321 O ILE A 23 1.058 -10.421 -5.210 1.00 0.00 O ATOM 322 CB ILE A 23 2.792 -11.956 -3.362 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.470 -12.420 -2.070 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.560 -12.407 -4.606 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.967 -12.104 -2.093 1.00 0.00 C ATOM 0 H ILE A 23 0.794 -10.474 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 23 3.583 -10.010 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 23 1.811 -12.431 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.004 -11.931 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.323 -13.492 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.690 -13.489 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.001 -12.129 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.537 -11.925 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.425 -12.444 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.434 -12.614 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.110 -11.028 -2.196 1.00 0.00 H new ATOM 337 N VAL A 24 2.677 -8.842 -5.164 1.00 0.00 N ATOM 338 CA VAL A 24 2.259 -8.218 -6.407 1.00 0.00 C ATOM 339 C VAL A 24 3.454 -8.135 -7.359 1.00 0.00 C ATOM 340 O VAL A 24 4.601 -8.271 -6.934 1.00 0.00 O ATOM 341 CB VAL A 24 1.627 -6.854 -6.122 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.339 -7.007 -5.309 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.617 -5.929 -5.412 1.00 0.00 C ATOM 0 H VAL A 24 3.485 -8.407 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 24 1.494 -8.820 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 24 1.369 -6.397 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.091 -6.023 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.374 -7.613 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.563 -7.494 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.143 -4.966 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.920 -6.378 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.494 -5.783 -6.042 1.00 0.00 H new ATOM 353 N GLY A 25 3.145 -7.913 -8.628 1.00 0.00 N ATOM 354 CA GLY A 25 4.180 -7.811 -9.643 1.00 0.00 C ATOM 355 C GLY A 25 5.029 -6.555 -9.436 1.00 0.00 C ATOM 356 O GLY A 25 4.504 -5.443 -9.412 1.00 0.00 O ATOM 0 H GLY A 25 2.193 -7.801 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.817 -8.695 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.723 -7.786 -10.632 1.00 0.00 H new ATOM 360 N ALA A 26 6.327 -6.775 -9.291 1.00 0.00 N ATOM 361 CA ALA A 26 7.254 -5.675 -9.086 1.00 0.00 C ATOM 362 C ALA A 26 6.932 -4.552 -10.073 1.00 0.00 C ATOM 363 O ALA A 26 7.108 -3.375 -9.760 1.00 0.00 O ATOM 364 CB ALA A 26 8.690 -6.184 -9.230 1.00 0.00 C ATOM 0 H ALA A 26 6.759 -7.699 -9.311 1.00 0.00 H new ATOM 0 HA ALA A 26 7.151 -5.269 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.386 -5.359 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.877 -6.960 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.831 -6.596 -10.229 1.00 0.00 H new ATOM 370 N GLN A 27 6.466 -4.954 -11.246 1.00 0.00 N ATOM 371 CA GLN A 27 6.117 -3.996 -12.281 1.00 0.00 C ATOM 372 C GLN A 27 4.930 -3.140 -11.835 1.00 0.00 C ATOM 373 O GLN A 27 4.912 -1.931 -12.059 1.00 0.00 O ATOM 374 CB GLN A 27 5.817 -4.703 -13.605 1.00 0.00 C ATOM 375 CG GLN A 27 7.108 -5.024 -14.360 1.00 0.00 C ATOM 376 CD GLN A 27 7.661 -3.778 -15.056 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.955 -2.818 -15.319 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.959 -3.846 -15.337 1.00 0.00 N ATOM 0 H GLN A 27 6.322 -5.931 -11.503 1.00 0.00 H new ATOM 0 HA GLN A 27 6.972 -3.340 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.265 -5.623 -13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.178 -4.071 -14.222 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.851 -5.417 -13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.918 -5.803 -15.098 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.491 -4.680 -15.089 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.422 -3.064 -15.800 1.00 0.00 H new ATOM 387 N MET A 28 3.966 -3.802 -11.212 1.00 0.00 N ATOM 388 CA MET A 28 2.777 -3.118 -10.732 1.00 0.00 C ATOM 389 C MET A 28 3.128 -1.738 -10.171 1.00 0.00 C ATOM 390 O MET A 28 4.218 -1.540 -9.637 1.00 0.00 O ATOM 391 CB MET A 28 2.109 -3.958 -9.641 1.00 0.00 C ATOM 392 CG MET A 28 0.850 -3.269 -9.113 1.00 0.00 C ATOM 393 SD MET A 28 0.096 -4.268 -7.840 1.00 0.00 S ATOM 394 CE MET A 28 -0.864 -5.384 -8.850 1.00 0.00 C ATOM 0 H MET A 28 3.984 -4.805 -11.028 1.00 0.00 H new ATOM 0 HA MET A 28 2.093 -2.986 -11.570 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.851 -4.939 -10.039 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.810 -4.121 -8.822 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.103 -2.287 -8.714 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.144 -3.110 -9.928 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.403 -6.082 -8.209 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.577 -4.814 -9.446 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.199 -5.938 -9.512 1.00 0.00 H new ATOM 404 N ASN A 29 2.183 -0.820 -10.312 1.00 0.00 N ATOM 405 CA ASN A 29 2.378 0.535 -9.826 1.00 0.00 C ATOM 406 C ASN A 29 1.718 0.680 -8.453 1.00 0.00 C ATOM 407 O ASN A 29 0.991 -0.209 -8.013 1.00 0.00 O ATOM 408 CB ASN A 29 1.738 1.556 -10.769 1.00 0.00 C ATOM 409 CG ASN A 29 0.354 1.090 -11.224 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.125 -0.075 -11.507 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.553 2.061 -11.278 1.00 0.00 N ATOM 0 H ASN A 29 1.280 -0.988 -10.756 1.00 0.00 H new ATOM 0 HA ASN A 29 3.450 0.721 -9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.654 2.519 -10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.379 1.706 -11.638 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.508 1.852 -11.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.294 3.015 -11.027 1.00 0.00 H new ATOM 418 N VAL A 30 1.995 1.808 -7.815 1.00 0.00 N ATOM 419 CA VAL A 30 1.437 2.081 -6.502 1.00 0.00 C ATOM 420 C VAL A 30 -0.090 2.049 -6.585 1.00 0.00 C ATOM 421 O VAL A 30 -0.744 1.363 -5.800 1.00 0.00 O ATOM 422 CB VAL A 30 1.979 3.409 -5.969 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.088 3.955 -4.851 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.426 3.260 -5.495 1.00 0.00 C ATOM 0 H VAL A 30 2.599 2.543 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 30 1.740 1.313 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 30 1.968 4.129 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.495 4.899 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.081 4.117 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.052 3.238 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.787 4.218 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.473 2.518 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.050 2.937 -6.328 1.00 0.00 H new ATOM 434 N LYS A 31 -0.615 2.799 -7.542 1.00 0.00 N ATOM 435 CA LYS A 31 -2.054 2.864 -7.738 1.00 0.00 C ATOM 436 C LYS A 31 -2.626 1.446 -7.764 1.00 0.00 C ATOM 437 O LYS A 31 -3.360 1.051 -6.860 1.00 0.00 O ATOM 438 CB LYS A 31 -2.388 3.686 -8.985 1.00 0.00 C ATOM 439 CG LYS A 31 -3.888 3.642 -9.284 1.00 0.00 C ATOM 440 CD LYS A 31 -4.452 5.052 -9.469 1.00 0.00 C ATOM 441 CE LYS A 31 -4.810 5.680 -8.120 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.099 6.400 -8.210 1.00 0.00 N ATOM 0 H LYS A 31 -0.070 3.367 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.529 3.383 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.073 4.719 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.832 3.300 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.066 3.054 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.410 3.142 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.720 5.676 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.338 5.013 -10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.872 4.905 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.023 6.368 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.327 6.820 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.027 7.152 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.850 5.734 -8.483 1.00 0.00 H new ATOM 456 N GLU A 32 -2.267 0.717 -8.811 1.00 0.00 N ATOM 457 CA GLU A 32 -2.736 -0.650 -8.968 1.00 0.00 C ATOM 458 C GLU A 32 -2.717 -1.375 -7.620 1.00 0.00 C ATOM 459 O GLU A 32 -3.757 -1.819 -7.136 1.00 0.00 O ATOM 460 CB GLU A 32 -1.899 -1.401 -10.006 1.00 0.00 C ATOM 461 CG GLU A 32 -2.331 -1.033 -11.427 1.00 0.00 C ATOM 462 CD GLU A 32 -1.554 -1.847 -12.464 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.318 -3.043 -12.186 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.213 -1.255 -13.511 1.00 0.00 O ATOM 0 H GLU A 32 -1.657 1.047 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.764 -0.622 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.844 -1.163 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.005 -2.475 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.400 -1.213 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.167 0.031 -11.597 1.00 0.00 H new ATOM 471 N PHE A 33 -1.523 -1.471 -7.053 1.00 0.00 N ATOM 472 CA PHE A 33 -1.356 -2.135 -5.771 1.00 0.00 C ATOM 473 C PHE A 33 -2.487 -1.765 -4.810 1.00 0.00 C ATOM 474 O PHE A 33 -3.048 -2.632 -4.142 1.00 0.00 O ATOM 475 CB PHE A 33 -0.028 -1.650 -5.187 1.00 0.00 C ATOM 476 CG PHE A 33 0.382 -2.362 -3.896 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.742 -3.673 -3.928 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.385 -1.684 -2.717 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.122 -4.334 -2.730 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.765 -2.346 -1.519 1.00 0.00 C ATOM 481 CZ PHE A 33 1.125 -3.657 -1.551 1.00 0.00 C ATOM 0 H PHE A 33 -0.663 -1.101 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.371 -3.216 -5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.756 -1.789 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.098 -0.580 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.739 -4.211 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.099 -0.643 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.409 -5.375 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.768 -1.808 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.413 -4.160 -0.640 1.00 0.00 H new ATOM 491 N LYS A 34 -2.790 -0.475 -4.771 1.00 0.00 N ATOM 492 CA LYS A 34 -3.845 0.020 -3.903 1.00 0.00 C ATOM 493 C LYS A 34 -5.162 -0.670 -4.264 1.00 0.00 C ATOM 494 O LYS A 34 -5.916 -1.077 -3.381 1.00 0.00 O ATOM 495 CB LYS A 34 -3.914 1.547 -3.963 1.00 0.00 C ATOM 496 CG LYS A 34 -2.589 2.174 -3.526 1.00 0.00 C ATOM 497 CD LYS A 34 -2.354 3.509 -4.235 1.00 0.00 C ATOM 498 CE LYS A 34 -1.800 4.555 -3.265 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.732 5.699 -3.148 1.00 0.00 N ATOM 0 H LYS A 34 -2.323 0.242 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.631 -0.226 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.153 1.864 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.719 1.904 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.593 2.327 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.769 1.491 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.657 3.368 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.290 3.866 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.644 4.104 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.828 4.904 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.214 6.536 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.150 5.902 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.487 5.464 -2.473 1.00 0.00 H new ATOM 513 N GLU A 35 -5.399 -0.781 -5.563 1.00 0.00 N ATOM 514 CA GLU A 35 -6.612 -1.415 -6.050 1.00 0.00 C ATOM 515 C GLU A 35 -6.616 -2.902 -5.691 1.00 0.00 C ATOM 516 O GLU A 35 -7.673 -3.485 -5.455 1.00 0.00 O ATOM 517 CB GLU A 35 -6.766 -1.215 -7.559 1.00 0.00 C ATOM 518 CG GLU A 35 -6.678 0.267 -7.928 1.00 0.00 C ATOM 519 CD GLU A 35 -7.261 0.522 -9.320 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.743 -0.098 -10.274 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.210 1.331 -9.398 1.00 0.00 O ATOM 0 H GLU A 35 -4.772 -0.443 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.466 -0.943 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.989 -1.771 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.724 -1.619 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.216 0.862 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.638 0.591 -7.901 1.00 0.00 H new ATOM 528 N HIS A 36 -5.421 -3.473 -5.661 1.00 0.00 N ATOM 529 CA HIS A 36 -5.272 -4.881 -5.334 1.00 0.00 C ATOM 530 C HIS A 36 -5.615 -5.105 -3.860 1.00 0.00 C ATOM 531 O HIS A 36 -6.523 -5.870 -3.538 1.00 0.00 O ATOM 532 CB HIS A 36 -3.873 -5.380 -5.700 1.00 0.00 C ATOM 533 CG HIS A 36 -3.630 -6.831 -5.362 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.338 -7.866 -5.947 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.750 -7.409 -4.494 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.897 -9.011 -5.446 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.913 -8.725 -4.545 1.00 0.00 N ATOM 0 H HIS A 36 -4.547 -2.986 -5.858 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.971 -5.471 -5.927 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.715 -5.235 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.134 -4.768 -5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.041 -6.884 -3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.254 -9.997 -5.705 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.389 -9.410 -4.000 1.00 0.00 H new ATOM 545 N ILE A 37 -4.869 -4.423 -3.002 1.00 0.00 N ATOM 546 CA ILE A 37 -5.082 -4.538 -1.569 1.00 0.00 C ATOM 547 C ILE A 37 -6.431 -3.913 -1.207 1.00 0.00 C ATOM 548 O ILE A 37 -7.055 -4.302 -0.221 1.00 0.00 O ATOM 549 CB ILE A 37 -3.901 -3.939 -0.803 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.876 -2.415 -0.937 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.582 -4.576 -1.244 1.00 0.00 C ATOM 552 CD1 ILE A 37 -2.987 -1.785 0.137 1.00 0.00 C ATOM 0 H ILE A 37 -4.117 -3.789 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.126 -5.586 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.030 -4.166 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.509 -2.139 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.889 -2.022 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.759 -4.132 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.614 -5.649 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.432 -4.401 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.987 -0.701 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.371 -2.043 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.969 -2.162 0.034 1.00 0.00 H new ATOM 564 N ALA A 38 -6.841 -2.954 -2.024 1.00 0.00 N ATOM 565 CA ALA A 38 -8.104 -2.271 -1.802 1.00 0.00 C ATOM 566 C ALA A 38 -9.174 -3.297 -1.422 1.00 0.00 C ATOM 567 O ALA A 38 -10.100 -2.986 -0.676 1.00 0.00 O ATOM 568 CB ALA A 38 -8.480 -1.473 -3.052 1.00 0.00 C ATOM 0 H ALA A 38 -6.321 -2.634 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.018 -1.564 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.428 -0.961 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.703 -0.739 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.578 -2.150 -3.900 1.00 0.00 H new ATOM 574 N ALA A 39 -9.010 -4.500 -1.953 1.00 0.00 N ATOM 575 CA ALA A 39 -9.950 -5.573 -1.679 1.00 0.00 C ATOM 576 C ALA A 39 -9.816 -6.001 -0.216 1.00 0.00 C ATOM 577 O ALA A 39 -10.789 -5.968 0.535 1.00 0.00 O ATOM 578 CB ALA A 39 -9.701 -6.730 -2.650 1.00 0.00 C ATOM 0 H ALA A 39 -8.240 -4.755 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.975 -5.234 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.406 -7.535 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.836 -6.381 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.683 -7.098 -2.524 1.00 0.00 H new ATOM 584 N SER A 40 -8.603 -6.393 0.144 1.00 0.00 N ATOM 585 CA SER A 40 -8.329 -6.827 1.503 1.00 0.00 C ATOM 586 C SER A 40 -8.614 -5.687 2.484 1.00 0.00 C ATOM 587 O SER A 40 -9.483 -5.808 3.346 1.00 0.00 O ATOM 588 CB SER A 40 -6.883 -7.303 1.649 1.00 0.00 C ATOM 589 OG SER A 40 -6.715 -8.645 1.201 1.00 0.00 O ATOM 0 H SER A 40 -7.798 -6.419 -0.482 1.00 0.00 H new ATOM 0 HA SER A 40 -8.984 -7.668 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.226 -6.646 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.581 -7.229 2.694 1.00 0.00 H new ATOM 0 HG SER A 40 -5.778 -8.911 1.309 1.00 0.00 H new ATOM 595 N VAL A 41 -7.866 -4.606 2.318 1.00 0.00 N ATOM 596 CA VAL A 41 -8.028 -3.446 3.178 1.00 0.00 C ATOM 597 C VAL A 41 -9.491 -2.998 3.154 1.00 0.00 C ATOM 598 O VAL A 41 -10.003 -2.487 4.148 1.00 0.00 O ATOM 599 CB VAL A 41 -7.058 -2.342 2.754 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.611 -2.735 3.061 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.230 -1.999 1.272 1.00 0.00 C ATOM 0 H VAL A 41 -7.147 -4.509 1.601 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.783 -3.698 4.210 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.293 -1.450 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.942 -1.933 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.500 -2.905 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.359 -3.647 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.528 -1.211 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.035 -2.885 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.249 -1.656 1.094 1.00 0.00 H new ATOM 611 N SER A 42 -10.121 -3.207 2.007 1.00 0.00 N ATOM 612 CA SER A 42 -11.515 -2.832 1.841 1.00 0.00 C ATOM 613 C SER A 42 -11.631 -1.317 1.659 1.00 0.00 C ATOM 614 O SER A 42 -12.720 -0.757 1.767 1.00 0.00 O ATOM 615 CB SER A 42 -12.355 -3.289 3.035 1.00 0.00 C ATOM 616 OG SER A 42 -13.571 -3.910 2.626 1.00 0.00 O ATOM 0 H SER A 42 -9.692 -3.631 1.184 1.00 0.00 H new ATOM 0 HA SER A 42 -11.899 -3.329 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.776 -3.988 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.581 -2.431 3.669 1.00 0.00 H new ATOM 0 HG SER A 42 -14.078 -4.189 3.417 1.00 0.00 H new ATOM 622 N ILE A 43 -10.492 -0.697 1.386 1.00 0.00 N ATOM 623 CA ILE A 43 -10.452 0.742 1.188 1.00 0.00 C ATOM 624 C ILE A 43 -10.101 1.042 -0.271 1.00 0.00 C ATOM 625 O ILE A 43 -9.256 0.370 -0.861 1.00 0.00 O ATOM 626 CB ILE A 43 -9.504 1.395 2.196 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.802 0.917 3.618 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.548 2.920 2.082 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.636 1.232 4.558 1.00 0.00 C ATOM 0 H ILE A 43 -9.590 -1.165 1.297 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.432 1.180 1.377 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.486 1.084 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.709 1.397 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.990 -0.157 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.865 3.359 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.249 3.219 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.561 3.270 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.874 0.882 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.736 0.730 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.467 2.309 4.580 1.00 0.00 H new ATOM 641 N PRO A 44 -10.785 2.079 -0.824 1.00 0.00 N ATOM 642 CA PRO A 44 -10.554 2.476 -2.203 1.00 0.00 C ATOM 643 C PRO A 44 -9.230 3.230 -2.342 1.00 0.00 C ATOM 644 O PRO A 44 -8.835 3.968 -1.440 1.00 0.00 O ATOM 645 CB PRO A 44 -11.761 3.322 -2.576 1.00 0.00 C ATOM 646 CG PRO A 44 -12.392 3.751 -1.261 1.00 0.00 C ATOM 647 CD PRO A 44 -11.793 2.897 -0.156 1.00 0.00 C ATOM 0 HA PRO A 44 -10.458 1.624 -2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.463 4.188 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.466 2.751 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.201 4.808 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.474 3.624 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.348 3.514 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.552 2.278 0.322 1.00 0.00 H new ATOM 655 N SER A 45 -8.582 3.019 -3.478 1.00 0.00 N ATOM 656 CA SER A 45 -7.311 3.670 -3.746 1.00 0.00 C ATOM 657 C SER A 45 -7.423 5.171 -3.471 1.00 0.00 C ATOM 658 O SER A 45 -6.645 5.723 -2.694 1.00 0.00 O ATOM 659 CB SER A 45 -6.861 3.426 -5.188 1.00 0.00 C ATOM 660 OG SER A 45 -7.492 4.319 -6.102 1.00 0.00 O ATOM 0 H SER A 45 -8.913 2.407 -4.223 1.00 0.00 H new ATOM 0 HA SER A 45 -6.560 3.241 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.779 3.543 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.089 2.398 -5.470 1.00 0.00 H new ATOM 0 HG SER A 45 -7.177 4.133 -7.011 1.00 0.00 H new ATOM 666 N GLU A 46 -8.396 5.788 -4.124 1.00 0.00 N ATOM 667 CA GLU A 46 -8.620 7.214 -3.959 1.00 0.00 C ATOM 668 C GLU A 46 -8.657 7.578 -2.473 1.00 0.00 C ATOM 669 O GLU A 46 -8.394 8.721 -2.104 1.00 0.00 O ATOM 670 CB GLU A 46 -9.906 7.653 -4.663 1.00 0.00 C ATOM 671 CG GLU A 46 -11.137 7.062 -3.974 1.00 0.00 C ATOM 672 CD GLU A 46 -12.326 6.999 -4.935 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.468 7.957 -5.726 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.067 5.995 -4.857 1.00 0.00 O ATOM 0 H GLU A 46 -9.038 5.327 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.790 7.747 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.972 8.741 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.881 7.336 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.908 6.061 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.398 7.667 -3.106 1.00 0.00 H new ATOM 681 N LYS A 47 -8.987 6.584 -1.662 1.00 0.00 N ATOM 682 CA LYS A 47 -9.063 6.785 -0.225 1.00 0.00 C ATOM 683 C LYS A 47 -7.737 6.367 0.415 1.00 0.00 C ATOM 684 O LYS A 47 -7.360 6.884 1.465 1.00 0.00 O ATOM 685 CB LYS A 47 -10.280 6.062 0.354 1.00 0.00 C ATOM 686 CG LYS A 47 -11.535 6.932 0.252 1.00 0.00 C ATOM 687 CD LYS A 47 -12.694 6.316 1.039 1.00 0.00 C ATOM 688 CE LYS A 47 -12.985 7.121 2.307 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.300 7.792 2.204 1.00 0.00 N ATOM 0 H LYS A 47 -9.205 5.637 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.210 7.840 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.439 5.125 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.094 5.807 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.322 7.931 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.820 7.044 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.586 6.282 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.452 5.287 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.974 6.461 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.202 7.864 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.482 8.334 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.298 8.437 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.045 7.078 2.079 1.00 0.00 H new ATOM 703 N GLN A 48 -7.067 5.434 -0.246 1.00 0.00 N ATOM 704 CA GLN A 48 -5.791 4.940 0.245 1.00 0.00 C ATOM 705 C GLN A 48 -4.687 5.965 -0.023 1.00 0.00 C ATOM 706 O GLN A 48 -4.902 6.942 -0.738 1.00 0.00 O ATOM 707 CB GLN A 48 -5.449 3.588 -0.383 1.00 0.00 C ATOM 708 CG GLN A 48 -6.424 2.504 0.082 1.00 0.00 C ATOM 709 CD GLN A 48 -5.908 1.110 -0.280 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.063 0.540 0.390 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.461 0.595 -1.374 1.00 0.00 N ATOM 0 H GLN A 48 -7.383 5.007 -1.117 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.870 4.793 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.481 3.669 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.431 3.306 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.565 2.575 1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.399 2.665 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.163 1.126 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.183 -0.331 -1.698 1.00 0.00 H new ATOM 720 N ARG A 49 -3.528 5.705 0.565 1.00 0.00 N ATOM 721 CA ARG A 49 -2.390 6.593 0.399 1.00 0.00 C ATOM 722 C ARG A 49 -1.148 5.993 1.062 1.00 0.00 C ATOM 723 O ARG A 49 -0.804 6.356 2.186 1.00 0.00 O ATOM 724 CB ARG A 49 -2.670 7.968 1.007 1.00 0.00 C ATOM 725 CG ARG A 49 -1.448 8.881 0.886 1.00 0.00 C ATOM 726 CD ARG A 49 -1.674 10.200 1.627 1.00 0.00 C ATOM 727 NE ARG A 49 -0.397 10.683 2.201 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.232 11.892 2.755 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.261 12.748 2.814 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.962 12.245 3.250 1.00 0.00 N ATOM 0 H ARG A 49 -3.353 4.893 1.156 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.215 6.711 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.521 8.426 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.943 7.857 2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.571 8.377 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.242 9.081 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.080 10.946 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.409 10.060 2.420 1.00 0.00 H new ATOM 0 HE ARG A 49 0.407 10.056 2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.170 12.479 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.135 13.668 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.746 11.593 3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.087 13.165 3.672 1.00 0.00 H new ATOM 744 N LEU A 50 -0.510 5.085 0.338 1.00 0.00 N ATOM 745 CA LEU A 50 0.686 4.432 0.842 1.00 0.00 C ATOM 746 C LEU A 50 1.722 5.493 1.217 1.00 0.00 C ATOM 747 O LEU A 50 2.042 6.365 0.410 1.00 0.00 O ATOM 748 CB LEU A 50 1.198 3.401 -0.165 1.00 0.00 C ATOM 749 CG LEU A 50 0.213 2.296 -0.554 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.916 1.185 -1.336 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.518 1.756 0.677 1.00 0.00 C ATOM 0 H LEU A 50 -0.799 4.786 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 50 0.460 3.872 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.500 3.926 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.093 2.934 0.246 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.541 2.726 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.194 0.413 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.352 1.600 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.704 0.750 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.212 0.972 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.207 1.346 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.071 2.564 1.156 1.00 0.00 H new ATOM 763 N ILE A 51 2.219 5.384 2.440 1.00 0.00 N ATOM 764 CA ILE A 51 3.213 6.323 2.931 1.00 0.00 C ATOM 765 C ILE A 51 4.444 5.552 3.410 1.00 0.00 C ATOM 766 O ILE A 51 4.318 4.538 4.094 1.00 0.00 O ATOM 767 CB ILE A 51 2.605 7.237 3.998 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.504 8.117 3.404 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.689 8.064 4.693 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.457 8.473 4.461 1.00 0.00 C ATOM 0 H ILE A 51 1.952 4.659 3.106 1.00 0.00 H new ATOM 0 HA ILE A 51 3.543 6.983 2.129 1.00 0.00 H new ATOM 0 HB ILE A 51 2.140 6.611 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.942 9.029 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.026 7.597 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.231 8.705 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.405 7.396 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.204 8.681 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.314 9.099 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.004 7.560 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.934 9.014 5.278 1.00 0.00 H new ATOM 782 N TYR A 52 5.607 6.063 3.032 1.00 0.00 N ATOM 783 CA TYR A 52 6.860 5.435 3.415 1.00 0.00 C ATOM 784 C TYR A 52 7.939 6.486 3.687 1.00 0.00 C ATOM 785 O TYR A 52 8.183 7.360 2.857 1.00 0.00 O ATOM 786 CB TYR A 52 7.286 4.582 2.219 1.00 0.00 C ATOM 787 CG TYR A 52 8.528 3.726 2.476 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.786 4.253 2.264 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.390 2.427 2.921 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.954 3.447 2.506 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.559 1.621 3.163 1.00 0.00 C ATOM 792 CZ TYR A 52 10.783 2.171 2.943 1.00 0.00 C ATOM 793 OH TYR A 52 11.887 1.410 3.172 1.00 0.00 O ATOM 0 H TYR A 52 5.708 6.905 2.465 1.00 0.00 H new ATOM 0 HA TYR A 52 6.733 4.847 4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.459 3.929 1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.478 5.237 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.894 5.270 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.406 2.015 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.944 3.847 2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.465 0.603 3.511 1.00 0.00 H new ATOM 0 HH TYR A 52 11.613 0.521 3.482 1.00 0.00 H new ATOM 803 N GLN A 53 8.556 6.365 4.854 1.00 0.00 N ATOM 804 CA GLN A 53 9.603 7.293 5.246 1.00 0.00 C ATOM 805 C GLN A 53 9.027 8.700 5.421 1.00 0.00 C ATOM 806 O GLN A 53 9.751 9.688 5.318 1.00 0.00 O ATOM 807 CB GLN A 53 10.746 7.292 4.229 1.00 0.00 C ATOM 808 CG GLN A 53 11.745 6.172 4.528 1.00 0.00 C ATOM 809 CD GLN A 53 12.607 6.517 5.744 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.117 6.770 6.833 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.914 6.514 5.499 1.00 0.00 N ATOM 0 H GLN A 53 8.351 5.639 5.540 1.00 0.00 H new ATOM 0 HA GLN A 53 10.011 6.966 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.343 7.166 3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.257 8.255 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.209 5.241 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.383 6.008 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.257 6.293 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.573 6.732 6.246 1.00 0.00 H new ATOM 820 N GLY A 54 7.729 8.745 5.684 1.00 0.00 N ATOM 821 CA GLY A 54 7.047 10.014 5.875 1.00 0.00 C ATOM 822 C GLY A 54 6.777 10.698 4.533 1.00 0.00 C ATOM 823 O GLY A 54 6.607 11.915 4.477 1.00 0.00 O ATOM 0 H GLY A 54 7.131 7.923 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.106 9.850 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.653 10.666 6.504 1.00 0.00 H new ATOM 827 N ARG A 55 6.745 9.886 3.487 1.00 0.00 N ATOM 828 CA ARG A 55 6.498 10.398 2.150 1.00 0.00 C ATOM 829 C ARG A 55 5.287 9.699 1.529 1.00 0.00 C ATOM 830 O ARG A 55 5.005 8.543 1.843 1.00 0.00 O ATOM 831 CB ARG A 55 7.716 10.191 1.247 1.00 0.00 C ATOM 832 CG ARG A 55 8.500 11.494 1.076 1.00 0.00 C ATOM 833 CD ARG A 55 8.363 12.033 -0.350 1.00 0.00 C ATOM 834 NE ARG A 55 9.500 12.926 -0.664 1.00 0.00 N ATOM 835 CZ ARG A 55 9.769 13.398 -1.889 1.00 0.00 C ATOM 836 NH1 ARG A 55 8.983 13.064 -2.922 1.00 0.00 N ATOM 837 NH2 ARG A 55 10.822 14.204 -2.081 1.00 0.00 N ATOM 0 H ARG A 55 6.886 8.877 3.538 1.00 0.00 H new ATOM 0 HA ARG A 55 6.301 11.467 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.364 9.426 1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.393 9.826 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.137 12.237 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.552 11.322 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.333 11.206 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.424 12.576 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 55 10.118 13.200 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.181 12.451 -2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.187 13.423 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.419 14.459 -1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.026 14.563 -3.014 1.00 0.00 H new ATOM 851 N VAL A 56 4.605 10.428 0.658 1.00 0.00 N ATOM 852 CA VAL A 56 3.431 9.892 -0.009 1.00 0.00 C ATOM 853 C VAL A 56 3.854 9.229 -1.321 1.00 0.00 C ATOM 854 O VAL A 56 4.261 9.909 -2.262 1.00 0.00 O ATOM 855 CB VAL A 56 2.391 10.997 -0.206 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.857 12.008 -1.256 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.029 10.408 -0.579 1.00 0.00 C ATOM 0 H VAL A 56 4.843 11.385 0.399 1.00 0.00 H new ATOM 0 HA VAL A 56 2.959 9.125 0.606 1.00 0.00 H new ATOM 0 HB VAL A 56 2.280 11.525 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.100 12.783 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.793 12.463 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.011 11.499 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.308 11.215 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.119 9.843 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.689 9.746 0.217 1.00 0.00 H new ATOM 867 N LEU A 57 3.744 7.908 -1.342 1.00 0.00 N ATOM 868 CA LEU A 57 4.110 7.145 -2.523 1.00 0.00 C ATOM 869 C LEU A 57 3.252 7.601 -3.706 1.00 0.00 C ATOM 870 O LEU A 57 2.026 7.628 -3.613 1.00 0.00 O ATOM 871 CB LEU A 57 4.020 5.644 -2.241 1.00 0.00 C ATOM 872 CG LEU A 57 4.825 5.139 -1.042 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.180 3.891 -0.436 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.287 4.900 -1.424 1.00 0.00 C ATOM 0 H LEU A 57 3.407 7.347 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 57 5.150 7.334 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.973 5.386 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.352 5.107 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 57 4.815 5.912 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.772 3.552 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.170 4.129 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.139 3.102 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.837 4.542 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.338 4.155 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.729 5.833 -1.773 1.00 0.00 H new ATOM 886 N GLN A 58 3.931 7.947 -4.790 1.00 0.00 N ATOM 887 CA GLN A 58 3.246 8.400 -5.988 1.00 0.00 C ATOM 888 C GLN A 58 2.475 7.244 -6.628 1.00 0.00 C ATOM 889 O GLN A 58 2.910 6.095 -6.569 1.00 0.00 O ATOM 890 CB GLN A 58 4.232 9.017 -6.983 1.00 0.00 C ATOM 891 CG GLN A 58 4.286 10.539 -6.827 1.00 0.00 C ATOM 892 CD GLN A 58 4.556 10.932 -5.373 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.527 10.519 -4.761 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.644 11.751 -4.857 1.00 0.00 N ATOM 0 H GLN A 58 4.948 7.923 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 58 2.533 9.174 -5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.225 8.596 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.935 8.762 -8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.067 10.946 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.343 10.976 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.855 12.059 -5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.734 12.072 -3.893 1.00 0.00 H new ATOM 903 N ASP A 59 1.343 7.588 -7.224 1.00 0.00 N ATOM 904 CA ASP A 59 0.506 6.593 -7.874 1.00 0.00 C ATOM 905 C ASP A 59 1.227 6.058 -9.113 1.00 0.00 C ATOM 906 O ASP A 59 1.379 4.848 -9.273 1.00 0.00 O ATOM 907 CB ASP A 59 -0.823 7.200 -8.325 1.00 0.00 C ATOM 908 CG ASP A 59 -0.723 8.605 -8.921 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.518 9.547 -8.125 1.00 0.00 O ATOM 910 OD2 ASP A 59 -0.853 8.706 -10.161 1.00 0.00 O ATOM 0 H ASP A 59 0.985 8.542 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 59 0.312 5.795 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.274 6.539 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.499 7.231 -7.471 1.00 0.00 H new ATOM 915 N ASP A 60 1.650 6.986 -9.958 1.00 0.00 N ATOM 916 CA ASP A 60 2.351 6.624 -11.179 1.00 0.00 C ATOM 917 C ASP A 60 3.590 5.800 -10.824 1.00 0.00 C ATOM 918 O ASP A 60 4.027 4.960 -11.610 1.00 0.00 O ATOM 919 CB ASP A 60 2.812 7.868 -11.940 1.00 0.00 C ATOM 920 CG ASP A 60 2.012 8.187 -13.204 1.00 0.00 C ATOM 921 OD1 ASP A 60 2.187 7.438 -14.190 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.244 9.171 -13.157 1.00 0.00 O ATOM 0 H ASP A 60 1.521 7.989 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 60 1.665 6.053 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.760 8.726 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.859 7.741 -12.214 1.00 0.00 H new ATOM 927 N LYS A 61 4.122 6.069 -9.641 1.00 0.00 N ATOM 928 CA LYS A 61 5.302 5.363 -9.173 1.00 0.00 C ATOM 929 C LYS A 61 4.948 3.895 -8.922 1.00 0.00 C ATOM 930 O LYS A 61 3.772 3.540 -8.855 1.00 0.00 O ATOM 931 CB LYS A 61 5.900 6.068 -7.954 1.00 0.00 C ATOM 932 CG LYS A 61 7.078 6.957 -8.358 1.00 0.00 C ATOM 933 CD LYS A 61 8.412 6.258 -8.086 1.00 0.00 C ATOM 934 CE LYS A 61 9.582 7.232 -8.234 1.00 0.00 C ATOM 935 NZ LYS A 61 10.365 7.296 -6.980 1.00 0.00 N ATOM 0 H LYS A 61 3.757 6.767 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 61 6.081 5.377 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.134 6.672 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.232 5.327 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.003 7.207 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.036 7.896 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.408 5.839 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.538 5.425 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.225 6.915 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.207 8.224 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.155 7.962 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.752 7.620 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.738 6.352 -6.755 1.00 0.00 H new ATOM 949 N LYS A 62 5.986 3.083 -8.791 1.00 0.00 N ATOM 950 CA LYS A 62 5.799 1.663 -8.549 1.00 0.00 C ATOM 951 C LYS A 62 6.431 1.291 -7.206 1.00 0.00 C ATOM 952 O LYS A 62 7.307 1.998 -6.711 1.00 0.00 O ATOM 953 CB LYS A 62 6.332 0.844 -9.727 1.00 0.00 C ATOM 954 CG LYS A 62 5.892 1.451 -11.061 1.00 0.00 C ATOM 955 CD LYS A 62 6.539 0.718 -12.237 1.00 0.00 C ATOM 956 CE LYS A 62 5.586 0.650 -13.432 1.00 0.00 C ATOM 957 NZ LYS A 62 6.321 0.274 -14.661 1.00 0.00 N ATOM 0 H LYS A 62 6.960 3.381 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 62 4.738 1.425 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.420 0.803 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.972 -0.182 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.807 1.399 -11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.164 2.506 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.457 1.229 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.818 -0.291 -11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.798 -0.077 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.100 1.616 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.792 0.599 -15.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.261 0.718 -14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.427 -0.760 -14.699 1.00 0.00 H new ATOM 971 N LEU A 63 5.961 0.181 -6.655 1.00 0.00 N ATOM 972 CA LEU A 63 6.468 -0.293 -5.378 1.00 0.00 C ATOM 973 C LEU A 63 7.980 -0.505 -5.483 1.00 0.00 C ATOM 974 O LEU A 63 8.748 0.101 -4.737 1.00 0.00 O ATOM 975 CB LEU A 63 5.703 -1.538 -4.927 1.00 0.00 C ATOM 976 CG LEU A 63 4.221 -1.588 -5.304 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.616 -0.183 -5.339 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.016 -2.332 -6.625 1.00 0.00 C ATOM 0 H LEU A 63 5.235 -0.403 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 63 6.303 0.453 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.195 -2.415 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.785 -1.617 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 63 3.692 -2.148 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.562 -0.247 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.711 0.279 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.144 0.422 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.954 -2.353 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.561 -1.821 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.387 -3.353 -6.529 1.00 0.00 H new ATOM 990 N GLN A 64 8.362 -1.366 -6.414 1.00 0.00 N ATOM 991 CA GLN A 64 9.768 -1.665 -6.626 1.00 0.00 C ATOM 992 C GLN A 64 10.593 -0.377 -6.610 1.00 0.00 C ATOM 993 O GLN A 64 11.571 -0.271 -5.871 1.00 0.00 O ATOM 994 CB GLN A 64 9.974 -2.433 -7.933 1.00 0.00 C ATOM 995 CG GLN A 64 11.393 -3.000 -8.018 1.00 0.00 C ATOM 996 CD GLN A 64 11.661 -3.603 -9.398 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.481 -4.786 -9.632 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.100 -2.725 -10.296 1.00 0.00 N ATOM 0 H GLN A 64 7.722 -1.867 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 64 10.111 -2.302 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.250 -3.245 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.791 -1.772 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.117 -2.210 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.530 -3.762 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.229 -1.748 -10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.308 -3.029 -11.247 1.00 0.00 H new ATOM 1007 N GLU A 65 10.169 0.570 -7.433 1.00 0.00 N ATOM 1008 CA GLU A 65 10.856 1.847 -7.523 1.00 0.00 C ATOM 1009 C GLU A 65 11.287 2.316 -6.132 1.00 0.00 C ATOM 1010 O GLU A 65 12.439 2.698 -5.932 1.00 0.00 O ATOM 1011 CB GLU A 65 9.977 2.896 -8.208 1.00 0.00 C ATOM 1012 CG GLU A 65 10.383 3.080 -9.672 1.00 0.00 C ATOM 1013 CD GLU A 65 10.804 4.525 -9.947 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.632 5.034 -9.161 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.287 5.087 -10.936 1.00 0.00 O ATOM 0 H GLU A 65 9.358 0.479 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 65 11.749 1.715 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.932 2.592 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.061 3.847 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.205 2.406 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.550 2.811 -10.321 1.00 0.00 H new ATOM 1022 N TYR A 66 10.339 2.273 -5.208 1.00 0.00 N ATOM 1023 CA TYR A 66 10.607 2.689 -3.842 1.00 0.00 C ATOM 1024 C TYR A 66 11.435 1.637 -3.100 1.00 0.00 C ATOM 1025 O TYR A 66 12.229 1.973 -2.223 1.00 0.00 O ATOM 1026 CB TYR A 66 9.241 2.816 -3.164 1.00 0.00 C ATOM 1027 CG TYR A 66 8.469 4.078 -3.554 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.908 5.315 -3.128 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.333 3.979 -4.332 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.181 6.503 -3.495 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.606 5.167 -4.698 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.065 6.370 -4.262 1.00 0.00 C ATOM 1033 OH TYR A 66 6.379 7.492 -4.609 1.00 0.00 O ATOM 0 H TYR A 66 9.384 1.957 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 66 11.169 3.623 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.640 1.942 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.381 2.807 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.797 5.392 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.990 3.011 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.514 7.477 -3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.715 5.104 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 66 6.730 7.841 -5.455 1.00 0.00 H new ATOM 1043 N ASN A 67 11.219 0.386 -3.479 1.00 0.00 N ATOM 1044 CA ASN A 67 11.935 -0.717 -2.861 1.00 0.00 C ATOM 1045 C ASN A 67 11.258 -1.082 -1.539 1.00 0.00 C ATOM 1046 O ASN A 67 11.926 -1.239 -0.518 1.00 0.00 O ATOM 1047 CB ASN A 67 13.385 -0.332 -2.560 1.00 0.00 C ATOM 1048 CG ASN A 67 14.306 -1.550 -2.653 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.609 -2.051 -3.724 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.733 -1.997 -1.476 1.00 0.00 N ATOM 0 H ASN A 67 10.558 0.112 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 67 11.922 -1.558 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.715 0.433 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.450 0.102 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.353 -2.806 -1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.441 -1.531 -0.617 1.00 0.00 H new ATOM 1057 N VAL A 68 9.940 -1.205 -1.600 1.00 0.00 N ATOM 1058 CA VAL A 68 9.165 -1.548 -0.420 1.00 0.00 C ATOM 1059 C VAL A 68 9.017 -3.069 -0.336 1.00 0.00 C ATOM 1060 O VAL A 68 8.134 -3.573 0.356 1.00 0.00 O ATOM 1061 CB VAL A 68 7.821 -0.817 -0.445 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.015 0.677 -0.713 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.878 -1.441 -1.475 1.00 0.00 C ATOM 0 H VAL A 68 9.389 -1.073 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 68 9.680 -1.221 0.483 1.00 0.00 H new ATOM 0 HB VAL A 68 7.362 -0.924 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.045 1.173 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.634 1.110 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.505 0.813 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.930 -0.903 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.328 -1.379 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.703 -2.486 -1.221 1.00 0.00 H new ATOM 1073 N GLY A 69 9.895 -3.757 -1.052 1.00 0.00 N ATOM 1074 CA GLY A 69 9.873 -5.210 -1.067 1.00 0.00 C ATOM 1075 C GLY A 69 10.101 -5.777 0.336 1.00 0.00 C ATOM 1076 O GLY A 69 11.137 -5.528 0.949 1.00 0.00 O ATOM 0 H GLY A 69 10.626 -3.335 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.915 -5.559 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.643 -5.582 -1.743 1.00 0.00 H new ATOM 1080 N GLY A 70 9.114 -6.528 0.802 1.00 0.00 N ATOM 1081 CA GLY A 70 9.193 -7.133 2.121 1.00 0.00 C ATOM 1082 C GLY A 70 9.245 -6.062 3.213 1.00 0.00 C ATOM 1083 O GLY A 70 9.519 -6.365 4.373 1.00 0.00 O ATOM 0 H GLY A 70 8.256 -6.731 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.330 -7.779 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.079 -7.764 2.183 1.00 0.00 H new ATOM 1087 N LYS A 71 8.978 -4.830 2.802 1.00 0.00 N ATOM 1088 CA LYS A 71 8.991 -3.713 3.731 1.00 0.00 C ATOM 1089 C LYS A 71 7.573 -3.472 4.252 1.00 0.00 C ATOM 1090 O LYS A 71 6.607 -3.994 3.698 1.00 0.00 O ATOM 1091 CB LYS A 71 9.624 -2.482 3.079 1.00 0.00 C ATOM 1092 CG LYS A 71 11.089 -2.741 2.723 1.00 0.00 C ATOM 1093 CD LYS A 71 11.992 -2.548 3.943 1.00 0.00 C ATOM 1094 CE LYS A 71 13.453 -2.839 3.596 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.359 -2.094 4.500 1.00 0.00 N ATOM 0 H LYS A 71 8.752 -4.582 1.839 1.00 0.00 H new ATOM 0 HA LYS A 71 9.614 -3.943 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.069 -2.217 2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.556 -1.632 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.200 -3.756 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.398 -2.065 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.899 -1.526 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.667 -3.207 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.646 -3.909 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.650 -2.558 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.347 -2.303 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.185 -1.073 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.182 -2.382 5.484 1.00 0.00 H new ATOM 1109 N VAL A 72 7.493 -2.682 5.312 1.00 0.00 N ATOM 1110 CA VAL A 72 6.209 -2.366 5.915 1.00 0.00 C ATOM 1111 C VAL A 72 5.834 -0.922 5.577 1.00 0.00 C ATOM 1112 O VAL A 72 6.458 0.017 6.070 1.00 0.00 O ATOM 1113 CB VAL A 72 6.257 -2.635 7.420 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.110 -1.923 8.141 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.238 -4.137 7.710 1.00 0.00 C ATOM 0 H VAL A 72 8.296 -2.251 5.769 1.00 0.00 H new ATOM 0 HA VAL A 72 5.428 -3.008 5.509 1.00 0.00 H new ATOM 0 HB VAL A 72 7.195 -2.232 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.167 -2.131 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.188 -0.848 7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.157 -2.282 7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.273 -4.300 8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.325 -4.574 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.103 -4.609 7.243 1.00 0.00 H new ATOM 1125 N ILE A 73 4.815 -0.789 4.740 1.00 0.00 N ATOM 1126 CA ILE A 73 4.349 0.525 4.331 1.00 0.00 C ATOM 1127 C ILE A 73 3.278 1.009 5.310 1.00 0.00 C ATOM 1128 O ILE A 73 2.718 0.216 6.065 1.00 0.00 O ATOM 1129 CB ILE A 73 3.885 0.499 2.874 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.866 -0.283 1.999 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.651 1.917 2.347 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.231 -0.651 0.657 1.00 0.00 C ATOM 0 H ILE A 73 4.299 -1.570 4.334 1.00 0.00 H new ATOM 0 HA ILE A 73 5.164 1.247 4.368 1.00 0.00 H new ATOM 0 HB ILE A 73 2.929 -0.023 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.763 0.313 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.179 -1.189 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.322 1.870 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.885 2.407 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.579 2.485 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.950 -1.206 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.349 -1.267 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.941 0.258 0.130 1.00 0.00 H new ATOM 1144 N HIS A 74 3.024 2.309 5.265 1.00 0.00 N ATOM 1145 CA HIS A 74 2.029 2.908 6.138 1.00 0.00 C ATOM 1146 C HIS A 74 0.878 3.464 5.299 1.00 0.00 C ATOM 1147 O HIS A 74 0.984 4.553 4.737 1.00 0.00 O ATOM 1148 CB HIS A 74 2.667 3.964 7.044 1.00 0.00 C ATOM 1149 CG HIS A 74 3.573 3.393 8.108 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.099 2.891 9.308 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.929 3.250 8.141 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.131 2.469 10.022 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.265 2.692 9.297 1.00 0.00 N ATOM 0 H HIS A 74 3.490 2.964 4.637 1.00 0.00 H new ATOM 0 HA HIS A 74 1.615 2.147 6.800 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.239 4.658 6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.877 4.541 7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.614 3.542 7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.083 2.026 11.006 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.214 2.467 9.594 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.197 2.691 5.241 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.367 3.093 4.479 1.00 0.00 C ATOM 1163 C LEU A 75 -2.306 3.897 5.381 1.00 0.00 C ATOM 1164 O LEU A 75 -2.496 3.556 6.547 1.00 0.00 O ATOM 1165 CB LEU A 75 -2.030 1.875 3.833 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.533 1.990 3.570 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.810 2.855 2.339 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.177 0.606 3.455 1.00 0.00 C ATOM 0 H LEU A 75 -0.282 1.789 5.709 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.079 3.745 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.530 1.674 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.859 1.010 4.474 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.992 2.489 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.886 2.920 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.406 3.855 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.336 2.407 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.245 0.716 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.719 0.059 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.026 0.056 4.384 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.868 4.951 4.807 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.781 5.807 5.544 1.00 0.00 C ATOM 1182 C VAL A 76 -5.112 5.890 4.794 1.00 0.00 C ATOM 1183 O VAL A 76 -5.136 5.916 3.565 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.141 7.176 5.780 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.899 7.055 6.665 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.804 7.860 4.453 1.00 0.00 C ATOM 0 H VAL A 76 -2.708 5.231 3.839 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.988 5.387 6.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.866 7.799 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.463 8.042 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.179 6.629 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.169 6.407 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.350 8.831 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.105 7.240 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.716 7.996 3.872 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.188 5.931 5.566 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.520 6.011 4.990 1.00 0.00 C ATOM 1198 C GLU A 77 -8.093 7.418 5.172 1.00 0.00 C ATOM 1199 O GLU A 77 -8.176 7.918 6.293 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.446 4.958 5.602 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.835 5.011 4.962 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.908 5.328 6.005 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.755 4.835 7.144 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.857 6.055 5.641 1.00 0.00 O ATOM 0 H GLU A 77 -6.165 5.910 6.586 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.446 5.805 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.016 3.966 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.530 5.123 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.850 5.769 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.057 4.056 4.486 1.00 0.00 H new