USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 788 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 102 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.5!) USER MOD Set 2.1: A 73 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 81 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.89) USER MOD Set 3.1: A 69 SER OG : rot -18:sc= -0.719 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -9.34! C(o=-10!,f=-11!) USER MOD Set 4.1: A 46 SER OG : rot -50:sc= 0.0503 USER MOD Set 4.2: A 49 GLN : amide:sc= -0.957 K(o=-0.91,f=-4.7!) USER MOD Set 5.1: A 13 TYR OH : rot -161:sc= 1.2 USER MOD Set 5.2: A 43 ASN : amide:sc= -2.6! X(o=-1.4!,f=-0.91) USER MOD Single : A 9 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.87!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 147:sc= 0 (180deg=-2.57!) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0303) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0869 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 19 ASN : amide:sc= -0.714 X(o=-0.71,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000979 USER MOD Single : A 25 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.03! C(o=-2!,f=-2.4!) USER MOD Single : A 33 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.17) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.7!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -114:sc= 1.29 (180deg=-0.463) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -53:sc= 0.086! USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= -0.685 (180deg=-1.92!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 94 HIS : no HE2:sc= -0.333 K(o=-0.33,f=-1.1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.66 K(o=-0.66,f=-2.2!) USER MOD Single : A 103 THR OG1 : rot 28:sc= 0.136 USER MOD Single : A 104 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.026) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 107 THR OG1 : rot -37:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.450 0.546 12.179 1.00 0.00 N ATOM 82 CA ASN A 9 -0.382 -0.340 11.729 1.00 0.00 C ATOM 83 C ASN A 9 -0.885 -1.773 11.592 1.00 0.00 C ATOM 84 O ASN A 9 -1.464 -2.332 12.524 1.00 0.00 O ATOM 85 CB ASN A 9 0.794 -0.292 12.707 1.00 0.00 C ATOM 86 CG ASN A 9 1.026 1.100 13.264 1.00 0.00 C ATOM 87 OD1 ASN A 9 0.155 1.671 13.920 1.00 0.00 O ATOM 88 ND2 ASN A 9 2.206 1.652 13.003 1.00 0.00 N ATOM 0 HA ASN A 9 -0.047 0.004 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.608 -0.983 13.529 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.697 -0.634 12.202 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.420 2.587 13.351 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.898 1.141 12.455 1.00 0.00 H new ATOM 95 N VAL A 10 -0.660 -2.364 10.423 1.00 0.00 N ATOM 96 CA VAL A 10 -1.089 -3.733 10.163 1.00 0.00 C ATOM 97 C VAL A 10 0.107 -4.674 10.062 1.00 0.00 C ATOM 98 O VAL A 10 1.075 -4.390 9.356 1.00 0.00 O ATOM 99 CB VAL A 10 -1.913 -3.827 8.865 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.347 -5.262 8.610 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.117 -2.900 8.931 1.00 0.00 C ATOM 0 H VAL A 10 -0.183 -1.916 9.641 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.714 -4.033 11.004 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.285 -3.510 8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.928 -5.308 7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.466 -5.897 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.958 -5.611 9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.688 -2.979 8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.749 -3.183 9.773 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.778 -1.872 9.062 1.00 0.00 H new ATOM 111 N TYR A 11 0.032 -5.795 10.771 1.00 0.00 N ATOM 112 CA TYR A 11 1.110 -6.777 10.762 1.00 0.00 C ATOM 113 C TYR A 11 0.557 -8.193 10.893 1.00 0.00 C ATOM 114 O TYR A 11 -0.618 -8.387 11.203 1.00 0.00 O ATOM 115 CB TYR A 11 2.094 -6.495 11.899 1.00 0.00 C ATOM 116 CG TYR A 11 1.454 -5.853 13.109 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.348 -6.429 13.722 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.955 -4.671 13.639 1.00 0.00 C ATOM 119 CE1 TYR A 11 -0.241 -5.846 14.827 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.373 -4.081 14.745 1.00 0.00 C ATOM 121 CZ TYR A 11 0.276 -4.673 15.335 1.00 0.00 C ATOM 122 OH TYR A 11 -0.307 -4.088 16.437 1.00 0.00 O ATOM 0 H TYR A 11 -0.763 -6.046 11.359 1.00 0.00 H new ATOM 0 HA TYR A 11 1.633 -6.697 9.809 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.565 -7.431 12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.886 -5.844 11.529 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.058 -7.349 13.328 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.814 -4.205 13.179 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.101 -6.306 15.290 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.775 -3.162 15.145 1.00 0.00 H new ATOM 0 HH TYR A 11 0.179 -3.269 16.668 1.00 0.00 H new ATOM 132 N GLY A 12 1.415 -9.181 10.655 1.00 0.00 N ATOM 133 CA GLY A 12 0.995 -10.567 10.751 1.00 0.00 C ATOM 134 C GLY A 12 1.903 -11.502 9.978 1.00 0.00 C ATOM 135 O GLY A 12 2.429 -11.139 8.925 1.00 0.00 O ATOM 0 H GLY A 12 2.393 -9.046 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.977 -10.866 11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.024 -10.662 10.375 1.00 0.00 H new ATOM 139 N TYR A 13 2.089 -12.709 10.500 1.00 0.00 N ATOM 140 CA TYR A 13 2.944 -13.698 9.854 1.00 0.00 C ATOM 141 C TYR A 13 2.387 -14.090 8.488 1.00 0.00 C ATOM 142 O TYR A 13 1.295 -14.651 8.387 1.00 0.00 O ATOM 143 CB TYR A 13 3.080 -14.940 10.737 1.00 0.00 C ATOM 144 CG TYR A 13 4.235 -14.868 11.710 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.343 -13.818 12.613 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.218 -15.849 11.725 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.397 -13.747 13.503 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.275 -15.787 12.613 1.00 0.00 C ATOM 149 CZ TYR A 13 6.360 -14.734 13.500 1.00 0.00 C ATOM 150 OH TYR A 13 7.412 -14.669 14.385 1.00 0.00 O ATOM 0 H TYR A 13 1.659 -13.026 11.369 1.00 0.00 H new ATOM 0 HA TYR A 13 3.928 -13.252 9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.154 -15.082 11.295 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.206 -15.816 10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.590 -13.044 12.619 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.155 -16.674 11.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.466 -12.923 14.198 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.030 -16.559 12.613 1.00 0.00 H new ATOM 0 HH TYR A 13 8.144 -15.237 14.065 1.00 0.00 H new ATOM 160 N LEU A 14 3.146 -13.790 7.440 1.00 0.00 N ATOM 161 CA LEU A 14 2.731 -14.111 6.079 1.00 0.00 C ATOM 162 C LEU A 14 3.738 -15.038 5.406 1.00 0.00 C ATOM 163 O LEU A 14 4.910 -15.075 5.782 1.00 0.00 O ATOM 164 CB LEU A 14 2.574 -12.830 5.258 1.00 0.00 C ATOM 165 CG LEU A 14 1.388 -11.937 5.627 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.504 -10.585 4.941 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.076 -12.614 5.259 1.00 0.00 C ATOM 0 H LEU A 14 4.052 -13.325 7.506 1.00 0.00 H new ATOM 0 HA LEU A 14 1.771 -14.624 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.488 -12.245 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.483 -13.105 4.207 1.00 0.00 H new ATOM 0 HG LEU A 14 1.400 -11.776 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.652 -9.963 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.426 -10.096 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.518 -10.725 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.757 -11.964 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.054 -12.806 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.010 -13.557 5.798 1.00 0.00 H new ATOM 179 N MET A 15 3.274 -15.784 4.410 1.00 0.00 N ATOM 180 CA MET A 15 4.136 -16.710 3.683 1.00 0.00 C ATOM 181 C MET A 15 4.655 -16.073 2.397 1.00 0.00 C ATOM 182 O MET A 15 3.887 -15.507 1.619 1.00 0.00 O ATOM 183 CB MET A 15 3.377 -17.998 3.357 1.00 0.00 C ATOM 184 CG MET A 15 3.132 -18.882 4.570 1.00 0.00 C ATOM 185 SD MET A 15 4.595 -19.820 5.051 1.00 0.00 S ATOM 186 CE MET A 15 4.328 -21.347 4.154 1.00 0.00 C ATOM 0 H MET A 15 2.307 -15.766 4.087 1.00 0.00 H new ATOM 0 HA MET A 15 4.988 -16.950 4.319 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.419 -17.741 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.939 -18.563 2.613 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.810 -18.263 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.317 -19.573 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.289 -21.763 3.851 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.810 -22.060 4.795 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.723 -21.148 3.269 1.00 0.00 H new ATOM 196 N LYS A 16 5.962 -16.170 2.181 1.00 0.00 N ATOM 197 CA LYS A 16 6.585 -15.605 0.989 1.00 0.00 C ATOM 198 C LYS A 16 7.279 -16.689 0.172 1.00 0.00 C ATOM 199 O LYS A 16 7.981 -17.539 0.720 1.00 0.00 O ATOM 200 CB LYS A 16 7.593 -14.522 1.381 1.00 0.00 C ATOM 201 CG LYS A 16 7.939 -13.574 0.245 1.00 0.00 C ATOM 202 CD LYS A 16 8.973 -12.546 0.672 1.00 0.00 C ATOM 203 CE LYS A 16 9.321 -11.599 -0.466 1.00 0.00 C ATOM 204 NZ LYS A 16 10.117 -12.276 -1.527 1.00 0.00 N ATOM 0 H LYS A 16 6.611 -16.635 2.816 1.00 0.00 H new ATOM 0 HA LYS A 16 5.802 -15.159 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.189 -13.946 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.506 -14.999 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.320 -14.144 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.036 -13.065 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.592 -11.975 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.875 -13.055 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.404 -11.199 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.884 -10.752 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.406 -11.579 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.963 -12.709 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.539 -13.014 -1.977 1.00 0.00 H new ATOM 218 N TYR A 17 7.080 -16.653 -1.141 1.00 0.00 N ATOM 219 CA TYR A 17 7.686 -17.633 -2.033 1.00 0.00 C ATOM 220 C TYR A 17 9.176 -17.356 -2.215 1.00 0.00 C ATOM 221 O TYR A 17 9.569 -16.509 -3.017 1.00 0.00 O ATOM 222 CB TYR A 17 6.984 -17.620 -3.392 1.00 0.00 C ATOM 223 CG TYR A 17 7.044 -18.945 -4.118 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.221 -19.381 -4.714 1.00 0.00 C ATOM 225 CD2 TYR A 17 5.924 -19.762 -4.207 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.280 -20.590 -5.378 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.974 -20.974 -4.868 1.00 0.00 C ATOM 228 CZ TYR A 17 7.154 -21.383 -5.453 1.00 0.00 C ATOM 229 OH TYR A 17 7.209 -22.590 -6.113 1.00 0.00 O ATOM 0 H TYR A 17 6.503 -15.955 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 17 7.570 -18.618 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.940 -17.340 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.437 -16.851 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.105 -18.763 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.998 -19.444 -3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.203 -20.913 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.094 -21.598 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 17 6.332 -23.025 -6.073 1.00 0.00 H new ATOM 239 N THR A 18 10.001 -18.079 -1.464 1.00 0.00 N ATOM 240 CA THR A 18 11.447 -17.913 -1.540 1.00 0.00 C ATOM 241 C THR A 18 12.005 -18.531 -2.817 1.00 0.00 C ATOM 242 O THR A 18 12.803 -17.912 -3.520 1.00 0.00 O ATOM 243 CB THR A 18 12.150 -18.548 -0.326 1.00 0.00 C ATOM 244 OG1 THR A 18 12.198 -19.971 -0.477 1.00 0.00 O ATOM 245 CG2 THR A 18 11.427 -18.193 0.965 1.00 0.00 C ATOM 0 H THR A 18 9.692 -18.785 -0.796 1.00 0.00 H new ATOM 0 HA THR A 18 11.642 -16.841 -1.543 1.00 0.00 H new ATOM 0 HB THR A 18 13.165 -18.154 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.648 -20.367 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.942 -18.653 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.418 -17.110 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.402 -18.561 0.921 1.00 0.00 H new ATOM 253 N ASN A 19 11.579 -19.755 -3.112 1.00 0.00 N ATOM 254 CA ASN A 19 12.036 -20.457 -4.306 1.00 0.00 C ATOM 255 C ASN A 19 11.122 -21.635 -4.628 1.00 0.00 C ATOM 256 O ASN A 19 10.147 -21.890 -3.919 1.00 0.00 O ATOM 257 CB ASN A 19 13.472 -20.949 -4.114 1.00 0.00 C ATOM 258 CG ASN A 19 14.228 -21.052 -5.425 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.508 -22.149 -5.908 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.562 -19.906 -6.006 1.00 0.00 N ATOM 0 H ASN A 19 10.918 -20.281 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 19 12.006 -19.758 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.000 -20.269 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.457 -21.925 -3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.072 -19.912 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.309 -19.020 -5.569 1.00 0.00 H new ATOM 267 N LEU A 20 11.443 -22.349 -5.701 1.00 0.00 N ATOM 268 CA LEU A 20 10.651 -23.501 -6.118 1.00 0.00 C ATOM 269 C LEU A 20 10.782 -24.643 -5.116 1.00 0.00 C ATOM 270 O LEU A 20 9.864 -24.911 -4.341 1.00 0.00 O ATOM 271 CB LEU A 20 11.091 -23.972 -7.505 1.00 0.00 C ATOM 272 CG LEU A 20 10.654 -23.097 -8.681 1.00 0.00 C ATOM 273 CD1 LEU A 20 11.705 -22.039 -8.979 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.391 -23.952 -9.912 1.00 0.00 C ATOM 0 H LEU A 20 12.246 -22.151 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 20 9.605 -23.196 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.179 -24.042 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.705 -24.979 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 20 9.727 -22.592 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.377 -21.426 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.845 -21.408 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.648 -22.524 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.081 -23.313 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.302 -24.485 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.602 -24.671 -9.694 1.00 0.00 H new ATOM 286 N VAL A 21 11.931 -25.312 -5.135 1.00 0.00 N ATOM 287 CA VAL A 21 12.184 -26.423 -4.226 1.00 0.00 C ATOM 288 C VAL A 21 11.567 -26.164 -2.856 1.00 0.00 C ATOM 289 O VAL A 21 10.839 -27.001 -2.321 1.00 0.00 O ATOM 290 CB VAL A 21 13.693 -26.678 -4.057 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.373 -25.467 -3.437 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.932 -27.923 -3.216 1.00 0.00 C ATOM 0 H VAL A 21 12.701 -25.103 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 21 11.722 -27.305 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 21 14.128 -26.844 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.439 -25.666 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.231 -24.600 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.937 -25.266 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.004 -28.088 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.483 -27.789 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.480 -28.785 -3.706 1.00 0.00 H new ATOM 302 N THR A 22 11.862 -24.997 -2.291 1.00 0.00 N ATOM 303 CA THR A 22 11.338 -24.626 -0.983 1.00 0.00 C ATOM 304 C THR A 22 9.837 -24.364 -1.046 1.00 0.00 C ATOM 305 O THR A 22 9.072 -24.885 -0.236 1.00 0.00 O ATOM 306 CB THR A 22 12.043 -23.374 -0.429 1.00 0.00 C ATOM 307 OG1 THR A 22 13.443 -23.430 -0.724 1.00 0.00 O ATOM 308 CG2 THR A 22 11.840 -23.259 1.074 1.00 0.00 C ATOM 0 H THR A 22 12.462 -24.292 -2.720 1.00 0.00 H new ATOM 0 HA THR A 22 11.530 -25.467 -0.316 1.00 0.00 H new ATOM 0 HB THR A 22 11.606 -22.497 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.884 -22.630 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.347 -22.367 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.775 -23.187 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.253 -24.140 1.565 1.00 0.00 H new ATOM 316 N GLY A 23 9.423 -23.554 -2.016 1.00 0.00 N ATOM 317 CA GLY A 23 8.015 -23.238 -2.167 1.00 0.00 C ATOM 318 C GLY A 23 7.617 -21.985 -1.412 1.00 0.00 C ATOM 319 O GLY A 23 7.708 -20.878 -1.944 1.00 0.00 O ATOM 0 H GLY A 23 10.037 -23.111 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.786 -23.109 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.417 -24.078 -1.812 1.00 0.00 H new ATOM 323 N TRP A 24 7.176 -22.158 -0.172 1.00 0.00 N ATOM 324 CA TRP A 24 6.761 -21.031 0.656 1.00 0.00 C ATOM 325 C TRP A 24 7.450 -21.073 2.016 1.00 0.00 C ATOM 326 O TRP A 24 7.923 -22.123 2.449 1.00 0.00 O ATOM 327 CB TRP A 24 5.243 -21.038 0.840 1.00 0.00 C ATOM 328 CG TRP A 24 4.488 -20.969 -0.453 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.394 -21.947 -1.401 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.722 -19.861 -0.940 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.617 -21.515 -2.448 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.192 -20.239 -2.189 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.432 -18.588 -0.442 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.390 -19.388 -2.945 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.636 -17.745 -1.193 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.121 -18.147 -2.433 1.00 0.00 C ATOM 0 H TRP A 24 7.096 -23.067 0.283 1.00 0.00 H new ATOM 0 HA TRP A 24 7.054 -20.112 0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.953 -21.943 1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.956 -20.193 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.862 -22.918 -1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.393 -22.057 -3.283 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.823 -18.269 0.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.994 -19.696 -3.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.406 -16.759 -0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.500 -17.465 -2.995 1.00 0.00 H new ATOM 347 N GLN A 25 7.503 -19.924 2.682 1.00 0.00 N ATOM 348 CA GLN A 25 8.136 -19.831 3.993 1.00 0.00 C ATOM 349 C GLN A 25 7.430 -18.799 4.866 1.00 0.00 C ATOM 350 O GLN A 25 7.136 -17.689 4.419 1.00 0.00 O ATOM 351 CB GLN A 25 9.614 -19.465 3.845 1.00 0.00 C ATOM 352 CG GLN A 25 10.526 -20.671 3.688 1.00 0.00 C ATOM 353 CD GLN A 25 11.923 -20.419 4.221 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.144 -19.495 5.003 1.00 0.00 O ATOM 355 NE2 GLN A 25 12.875 -21.244 3.799 1.00 0.00 N ATOM 0 H GLN A 25 7.116 -19.046 2.336 1.00 0.00 H new ATOM 0 HA GLN A 25 8.057 -20.805 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.734 -18.814 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.928 -18.894 4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.090 -21.522 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.587 -20.941 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.646 -21.997 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.834 -21.124 4.124 1.00 0.00 H new ATOM 364 N TYR A 26 7.159 -19.171 6.112 1.00 0.00 N ATOM 365 CA TYR A 26 6.485 -18.278 7.047 1.00 0.00 C ATOM 366 C TYR A 26 7.429 -17.182 7.531 1.00 0.00 C ATOM 367 O TYR A 26 8.568 -17.452 7.911 1.00 0.00 O ATOM 368 CB TYR A 26 5.947 -19.069 8.241 1.00 0.00 C ATOM 369 CG TYR A 26 4.540 -19.586 8.041 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.497 -18.720 7.737 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.255 -20.941 8.156 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.210 -19.188 7.554 1.00 0.00 C ATOM 373 CE2 TYR A 26 2.971 -21.418 7.974 1.00 0.00 C ATOM 374 CZ TYR A 26 1.952 -20.538 7.674 1.00 0.00 C ATOM 375 OH TYR A 26 0.672 -21.008 7.491 1.00 0.00 O ATOM 0 H TYR A 26 7.396 -20.085 6.498 1.00 0.00 H new ATOM 0 HA TYR A 26 5.651 -17.808 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.610 -19.912 8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.969 -18.434 9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.696 -17.663 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.050 -21.633 8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.411 -18.501 7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.766 -22.474 8.066 1.00 0.00 H new ATOM 0 HH TYR A 26 0.661 -21.981 7.609 1.00 0.00 H new ATOM 385 N ARG A 27 6.945 -15.945 7.516 1.00 0.00 N ATOM 386 CA ARG A 27 7.745 -14.806 7.953 1.00 0.00 C ATOM 387 C ARG A 27 6.861 -13.722 8.560 1.00 0.00 C ATOM 388 O ARG A 27 5.641 -13.734 8.393 1.00 0.00 O ATOM 389 CB ARG A 27 8.539 -14.233 6.778 1.00 0.00 C ATOM 390 CG ARG A 27 9.902 -14.879 6.590 1.00 0.00 C ATOM 391 CD ARG A 27 10.859 -13.957 5.850 1.00 0.00 C ATOM 392 NE ARG A 27 12.025 -14.673 5.342 1.00 0.00 N ATOM 393 CZ ARG A 27 11.974 -15.545 4.341 1.00 0.00 C ATOM 394 NH1 ARG A 27 10.819 -15.807 3.744 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.079 -16.157 3.935 1.00 0.00 N ATOM 0 H ARG A 27 6.003 -15.705 7.206 1.00 0.00 H new ATOM 0 HA ARG A 27 8.440 -15.154 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.959 -14.357 5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.672 -13.162 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.321 -15.135 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.791 -15.811 6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.336 -13.482 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.186 -13.161 6.519 1.00 0.00 H new ATOM 0 HE ARG A 27 12.929 -14.494 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.967 -15.339 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.782 -16.477 2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.969 -15.958 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.038 -16.826 3.166 1.00 0.00 H new ATOM 409 N PHE A 28 7.484 -12.785 9.268 1.00 0.00 N ATOM 410 CA PHE A 28 6.753 -11.694 9.902 1.00 0.00 C ATOM 411 C PHE A 28 6.740 -10.457 9.009 1.00 0.00 C ATOM 412 O PHE A 28 7.764 -10.075 8.443 1.00 0.00 O ATOM 413 CB PHE A 28 7.379 -11.352 11.256 1.00 0.00 C ATOM 414 CG PHE A 28 6.740 -10.173 11.931 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.363 -10.094 12.061 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.517 -9.143 12.437 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.773 -9.009 12.681 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.932 -8.055 13.059 1.00 0.00 C ATOM 419 CZ PHE A 28 5.558 -7.989 13.182 1.00 0.00 C ATOM 0 H PHE A 28 8.493 -12.760 9.417 1.00 0.00 H new ATOM 0 HA PHE A 28 5.725 -12.020 10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.305 -12.220 11.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.441 -11.149 11.115 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.744 -10.889 11.673 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.592 -9.190 12.345 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.698 -8.959 12.774 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.549 -7.258 13.448 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.098 -7.142 13.669 1.00 0.00 H new ATOM 429 N PHE A 29 5.571 -9.835 8.887 1.00 0.00 N ATOM 430 CA PHE A 29 5.423 -8.642 8.062 1.00 0.00 C ATOM 431 C PHE A 29 4.807 -7.499 8.864 1.00 0.00 C ATOM 432 O PHE A 29 3.906 -7.710 9.676 1.00 0.00 O ATOM 433 CB PHE A 29 4.555 -8.947 6.839 1.00 0.00 C ATOM 434 CG PHE A 29 5.196 -9.899 5.871 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.439 -11.215 6.232 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.556 -9.479 4.601 1.00 0.00 C ATOM 437 CE1 PHE A 29 6.030 -12.093 5.343 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.147 -10.353 3.708 1.00 0.00 C ATOM 439 CZ PHE A 29 6.383 -11.662 4.079 1.00 0.00 C ATOM 0 H PHE A 29 4.713 -10.138 9.349 1.00 0.00 H new ATOM 0 HA PHE A 29 6.415 -8.336 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.605 -9.365 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.328 -8.014 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.164 -11.558 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.373 -8.457 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.216 -13.116 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.424 -10.012 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.843 -12.347 3.382 1.00 0.00 H new ATOM 449 N VAL A 30 5.302 -6.287 8.632 1.00 0.00 N ATOM 450 CA VAL A 30 4.802 -5.110 9.331 1.00 0.00 C ATOM 451 C VAL A 30 4.569 -3.954 8.365 1.00 0.00 C ATOM 452 O VAL A 30 5.508 -3.264 7.967 1.00 0.00 O ATOM 453 CB VAL A 30 5.778 -4.655 10.433 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.258 -3.403 11.122 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.003 -5.773 11.439 1.00 0.00 C ATOM 0 H VAL A 30 6.049 -6.095 7.965 1.00 0.00 H new ATOM 0 HA VAL A 30 3.854 -5.393 9.789 1.00 0.00 H new ATOM 0 HB VAL A 30 6.736 -4.415 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.960 -3.096 11.897 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.153 -2.602 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.288 -3.612 11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.695 -5.435 12.210 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.053 -6.046 11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.423 -6.641 10.931 1.00 0.00 H new ATOM 465 N LEU A 31 3.311 -3.747 7.992 1.00 0.00 N ATOM 466 CA LEU A 31 2.953 -2.674 7.071 1.00 0.00 C ATOM 467 C LEU A 31 3.147 -1.309 7.725 1.00 0.00 C ATOM 468 O LEU A 31 2.932 -1.149 8.925 1.00 0.00 O ATOM 469 CB LEU A 31 1.502 -2.830 6.613 1.00 0.00 C ATOM 470 CG LEU A 31 0.929 -1.676 5.791 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.218 -1.878 4.312 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.568 -1.542 6.030 1.00 0.00 C ATOM 0 H LEU A 31 2.522 -4.308 8.313 1.00 0.00 H new ATOM 0 HA LEU A 31 3.610 -2.739 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.425 -3.743 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.877 -2.967 7.495 1.00 0.00 H new ATOM 0 HG LEU A 31 1.412 -0.753 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.802 -1.046 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.296 -1.923 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.764 -2.810 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.959 -0.715 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.067 -2.466 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.752 -1.349 7.087 1.00 0.00 H new ATOM 484 N ASN A 32 3.553 -0.328 6.925 1.00 0.00 N ATOM 485 CA ASN A 32 3.774 1.024 7.425 1.00 0.00 C ATOM 486 C ASN A 32 2.854 2.020 6.727 1.00 0.00 C ATOM 487 O ASN A 32 2.998 2.283 5.534 1.00 0.00 O ATOM 488 CB ASN A 32 5.235 1.432 7.221 1.00 0.00 C ATOM 489 CG ASN A 32 5.624 2.628 8.069 1.00 0.00 C ATOM 490 OD1 ASN A 32 4.888 3.030 8.970 1.00 0.00 O ATOM 491 ND2 ASN A 32 6.787 3.202 7.783 1.00 0.00 N ATOM 0 H ASN A 32 3.736 -0.444 5.928 1.00 0.00 H new ATOM 0 HA ASN A 32 3.546 1.032 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.882 0.590 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.401 1.666 6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.102 4.010 8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.365 2.835 7.027 1.00 0.00 H new ATOM 498 N ASN A 33 1.907 2.571 7.480 1.00 0.00 N ATOM 499 CA ASN A 33 0.962 3.538 6.934 1.00 0.00 C ATOM 500 C ASN A 33 1.562 4.941 6.927 1.00 0.00 C ATOM 501 O ASN A 33 1.351 5.712 5.992 1.00 0.00 O ATOM 502 CB ASN A 33 -0.335 3.530 7.746 1.00 0.00 C ATOM 503 CG ASN A 33 -1.496 4.140 6.986 1.00 0.00 C ATOM 504 OD1 ASN A 33 -2.513 3.486 6.755 1.00 0.00 O ATOM 505 ND2 ASN A 33 -1.350 5.400 6.593 1.00 0.00 N ATOM 0 H ASN A 33 1.774 2.364 8.470 1.00 0.00 H new ATOM 0 HA ASN A 33 0.741 3.251 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.582 2.505 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.183 4.080 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.098 5.863 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.489 5.904 6.806 1.00 0.00 H new ATOM 512 N GLU A 34 2.313 5.263 7.976 1.00 0.00 N ATOM 513 CA GLU A 34 2.943 6.572 8.090 1.00 0.00 C ATOM 514 C GLU A 34 3.847 6.847 6.892 1.00 0.00 C ATOM 515 O GLU A 34 3.936 7.978 6.415 1.00 0.00 O ATOM 516 CB GLU A 34 3.754 6.662 9.385 1.00 0.00 C ATOM 517 CG GLU A 34 4.509 7.971 9.541 1.00 0.00 C ATOM 518 CD GLU A 34 4.740 8.342 10.993 1.00 0.00 C ATOM 519 OE1 GLU A 34 3.747 8.447 11.743 1.00 0.00 O ATOM 520 OE2 GLU A 34 5.913 8.527 11.380 1.00 0.00 O ATOM 0 H GLU A 34 2.499 4.635 8.758 1.00 0.00 H new ATOM 0 HA GLU A 34 2.155 7.325 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.082 6.537 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.465 5.836 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.470 7.895 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.951 8.769 9.050 1.00 0.00 H new ATOM 527 N ALA A 35 4.516 5.804 6.411 1.00 0.00 N ATOM 528 CA ALA A 35 5.412 5.932 5.268 1.00 0.00 C ATOM 529 C ALA A 35 4.784 5.342 4.010 1.00 0.00 C ATOM 530 O ALA A 35 4.880 5.918 2.928 1.00 0.00 O ATOM 531 CB ALA A 35 6.743 5.257 5.563 1.00 0.00 C ATOM 0 H ALA A 35 4.454 4.861 6.795 1.00 0.00 H new ATOM 0 HA ALA A 35 5.587 6.993 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.402 5.360 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.205 5.727 6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.577 4.199 5.768 1.00 0.00 H new ATOM 537 N GLY A 36 4.141 4.187 4.161 1.00 0.00 N ATOM 538 CA GLY A 36 3.508 3.538 3.028 1.00 0.00 C ATOM 539 C GLY A 36 4.400 2.494 2.385 1.00 0.00 C ATOM 540 O GLY A 36 4.318 2.254 1.180 1.00 0.00 O ATOM 0 H GLY A 36 4.048 3.690 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.580 3.068 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.240 4.290 2.286 1.00 0.00 H new ATOM 544 N LEU A 37 5.255 1.872 3.190 1.00 0.00 N ATOM 545 CA LEU A 37 6.168 0.849 2.692 1.00 0.00 C ATOM 546 C LEU A 37 5.860 -0.507 3.320 1.00 0.00 C ATOM 547 O LEU A 37 5.535 -0.595 4.505 1.00 0.00 O ATOM 548 CB LEU A 37 7.616 1.243 2.986 1.00 0.00 C ATOM 549 CG LEU A 37 8.272 2.189 1.979 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.372 2.999 2.646 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.824 1.409 0.795 1.00 0.00 C ATOM 0 H LEU A 37 5.335 2.058 4.190 1.00 0.00 H new ATOM 0 HA LEU A 37 6.032 0.769 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.652 1.711 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.214 0.334 3.043 1.00 0.00 H new ATOM 0 HG LEU A 37 7.513 2.880 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.827 3.666 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.948 3.588 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.131 2.325 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.287 2.099 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.569 0.694 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.012 0.875 0.301 1.00 0.00 H new ATOM 563 N LEU A 38 5.966 -1.561 2.519 1.00 0.00 N ATOM 564 CA LEU A 38 5.702 -2.914 2.996 1.00 0.00 C ATOM 565 C LEU A 38 7.002 -3.689 3.185 1.00 0.00 C ATOM 566 O LEU A 38 7.696 -3.999 2.217 1.00 0.00 O ATOM 567 CB LEU A 38 4.792 -3.654 2.014 1.00 0.00 C ATOM 568 CG LEU A 38 4.563 -5.139 2.299 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.489 -5.319 3.361 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.181 -5.874 1.023 1.00 0.00 C ATOM 0 H LEU A 38 6.233 -1.505 1.536 1.00 0.00 H new ATOM 0 HA LEU A 38 5.201 -2.841 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.824 -3.154 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.215 -3.558 1.014 1.00 0.00 H new ATOM 0 HG LEU A 38 5.493 -5.565 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.340 -6.382 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.802 -4.826 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.555 -4.878 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.022 -6.929 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.264 -5.446 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.983 -5.774 0.291 1.00 0.00 H new ATOM 582 N GLU A 39 7.323 -4.000 4.436 1.00 0.00 N ATOM 583 CA GLU A 39 8.540 -4.741 4.750 1.00 0.00 C ATOM 584 C GLU A 39 8.208 -6.105 5.349 1.00 0.00 C ATOM 585 O GLU A 39 7.059 -6.378 5.698 1.00 0.00 O ATOM 586 CB GLU A 39 9.412 -3.944 5.723 1.00 0.00 C ATOM 587 CG GLU A 39 9.514 -2.467 5.379 1.00 0.00 C ATOM 588 CD GLU A 39 10.588 -1.755 6.179 1.00 0.00 C ATOM 589 OE1 GLU A 39 11.371 -2.443 6.866 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.644 -0.509 6.117 1.00 0.00 O ATOM 0 H GLU A 39 6.759 -3.751 5.248 1.00 0.00 H new ATOM 0 HA GLU A 39 9.090 -4.895 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.006 -4.047 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.413 -4.375 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.727 -2.359 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.552 -1.988 5.562 1.00 0.00 H new ATOM 597 N TYR A 40 9.221 -6.956 5.463 1.00 0.00 N ATOM 598 CA TYR A 40 9.037 -8.293 6.015 1.00 0.00 C ATOM 599 C TYR A 40 10.334 -8.813 6.627 1.00 0.00 C ATOM 600 O TYR A 40 11.377 -8.836 5.974 1.00 0.00 O ATOM 601 CB TYR A 40 8.551 -9.254 4.929 1.00 0.00 C ATOM 602 CG TYR A 40 9.644 -9.706 3.987 1.00 0.00 C ATOM 603 CD1 TYR A 40 9.965 -8.963 2.857 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.356 -10.875 4.226 1.00 0.00 C ATOM 605 CE1 TYR A 40 10.963 -9.371 1.993 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.356 -11.290 3.368 1.00 0.00 C ATOM 607 CZ TYR A 40 11.655 -10.535 2.254 1.00 0.00 C ATOM 608 OH TYR A 40 12.650 -10.947 1.396 1.00 0.00 O ATOM 0 H TYR A 40 10.178 -6.744 5.181 1.00 0.00 H new ATOM 0 HA TYR A 40 8.284 -8.233 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.106 -10.129 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.763 -8.769 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.425 -8.051 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.124 -11.469 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.200 -8.782 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.900 -12.201 3.569 1.00 0.00 H new ATOM 0 HH TYR A 40 13.039 -11.785 1.724 1.00 0.00 H new ATOM 618 N PHE A 41 10.261 -9.229 7.887 1.00 0.00 N ATOM 619 CA PHE A 41 11.428 -9.749 8.590 1.00 0.00 C ATOM 620 C PHE A 41 11.224 -11.211 8.977 1.00 0.00 C ATOM 621 O PHE A 41 10.105 -11.639 9.263 1.00 0.00 O ATOM 622 CB PHE A 41 11.712 -8.913 9.839 1.00 0.00 C ATOM 623 CG PHE A 41 11.646 -7.432 9.598 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.424 -6.785 9.513 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.806 -6.688 9.456 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.361 -5.422 9.290 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.749 -5.325 9.233 1.00 0.00 C ATOM 628 CZ PHE A 41 11.524 -4.691 9.151 1.00 0.00 C ATOM 0 H PHE A 41 9.406 -9.216 8.442 1.00 0.00 H new ATOM 0 HA PHE A 41 12.284 -9.686 7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.994 -9.179 10.615 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.701 -9.167 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.511 -7.351 9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.766 -7.179 9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.402 -4.929 9.225 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.661 -4.756 9.123 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.476 -3.626 8.979 1.00 0.00 H new ATOM 638 N VAL A 42 12.313 -11.973 8.984 1.00 0.00 N ATOM 639 CA VAL A 42 12.255 -13.386 9.337 1.00 0.00 C ATOM 640 C VAL A 42 11.220 -13.638 10.428 1.00 0.00 C ATOM 641 O VAL A 42 10.426 -14.574 10.340 1.00 0.00 O ATOM 642 CB VAL A 42 13.625 -13.903 9.814 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.530 -15.362 10.232 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.672 -13.717 8.727 1.00 0.00 C ATOM 0 H VAL A 42 13.246 -11.635 8.749 1.00 0.00 H new ATOM 0 HA VAL A 42 11.966 -13.926 8.435 1.00 0.00 H new ATOM 0 HB VAL A 42 13.931 -13.321 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.508 -15.709 10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 42 12.812 -15.461 11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.202 -15.963 9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.634 -14.088 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.375 -14.271 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.759 -12.658 8.483 1.00 0.00 H new ATOM 654 N ASN A 43 11.236 -12.797 11.456 1.00 0.00 N ATOM 655 CA ASN A 43 10.299 -12.928 12.566 1.00 0.00 C ATOM 656 C ASN A 43 10.181 -11.617 13.337 1.00 0.00 C ATOM 657 O ASN A 43 10.868 -10.642 13.031 1.00 0.00 O ATOM 658 CB ASN A 43 10.745 -14.048 13.508 1.00 0.00 C ATOM 659 CG ASN A 43 10.405 -15.425 12.971 1.00 0.00 C ATOM 660 OD1 ASN A 43 9.234 -15.769 12.810 1.00 0.00 O ATOM 661 ND2 ASN A 43 11.431 -16.221 12.692 1.00 0.00 N ATOM 0 H ASN A 43 11.887 -12.017 11.544 1.00 0.00 H new ATOM 0 HA ASN A 43 9.321 -13.176 12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.821 -13.978 13.667 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.270 -13.912 14.480 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.264 -17.159 12.329 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.386 -15.894 12.841 1.00 0.00 H new ATOM 668 N GLU A 44 9.306 -11.601 14.338 1.00 0.00 N ATOM 669 CA GLU A 44 9.099 -10.409 15.152 1.00 0.00 C ATOM 670 C GLU A 44 10.426 -9.873 15.679 1.00 0.00 C ATOM 671 O GLU A 44 10.827 -8.755 15.358 1.00 0.00 O ATOM 672 CB GLU A 44 8.161 -10.719 16.320 1.00 0.00 C ATOM 673 CG GLU A 44 7.451 -9.495 16.872 1.00 0.00 C ATOM 674 CD GLU A 44 7.138 -9.619 18.351 1.00 0.00 C ATOM 675 OE1 GLU A 44 7.959 -10.209 19.084 1.00 0.00 O ATOM 676 OE2 GLU A 44 6.072 -9.125 18.775 1.00 0.00 O ATOM 0 H GLU A 44 8.730 -12.399 14.604 1.00 0.00 H new ATOM 0 HA GLU A 44 8.643 -9.645 14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.416 -11.444 15.994 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.734 -11.188 17.120 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.073 -8.615 16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.524 -9.338 16.320 1.00 0.00 H new ATOM 683 N GLN A 45 11.103 -10.680 16.491 1.00 0.00 N ATOM 684 CA GLN A 45 12.384 -10.286 17.065 1.00 0.00 C ATOM 685 C GLN A 45 13.198 -9.466 16.069 1.00 0.00 C ATOM 686 O GLN A 45 13.986 -8.604 16.456 1.00 0.00 O ATOM 687 CB GLN A 45 13.177 -11.522 17.493 1.00 0.00 C ATOM 688 CG GLN A 45 14.134 -11.262 18.645 1.00 0.00 C ATOM 689 CD GLN A 45 15.332 -12.191 18.629 1.00 0.00 C ATOM 690 OE1 GLN A 45 15.428 -13.085 17.787 1.00 0.00 O ATOM 691 NE2 GLN A 45 16.254 -11.985 19.562 1.00 0.00 N ATOM 0 H GLN A 45 10.786 -11.610 16.766 1.00 0.00 H new ATOM 0 HA GLN A 45 12.186 -9.668 17.941 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.480 -12.309 17.781 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.742 -11.894 16.639 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.479 -10.229 18.600 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.601 -11.379 19.589 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.134 -11.233 20.240 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.082 -12.579 19.601 1.00 0.00 H new ATOM 700 N SER A 46 13.001 -9.741 14.783 1.00 0.00 N ATOM 701 CA SER A 46 13.719 -9.032 13.731 1.00 0.00 C ATOM 702 C SER A 46 12.967 -7.772 13.313 1.00 0.00 C ATOM 703 O SER A 46 12.774 -7.516 12.125 1.00 0.00 O ATOM 704 CB SER A 46 13.922 -9.943 12.519 1.00 0.00 C ATOM 705 OG SER A 46 14.700 -11.078 12.859 1.00 0.00 O ATOM 0 H SER A 46 12.350 -10.450 14.445 1.00 0.00 H new ATOM 0 HA SER A 46 14.693 -8.740 14.124 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.954 -10.264 12.135 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.413 -9.387 11.720 1.00 0.00 H new ATOM 0 HG SER A 46 15.511 -10.790 13.327 1.00 0.00 H new ATOM 711 N ARG A 47 12.544 -6.989 14.300 1.00 0.00 N ATOM 712 CA ARG A 47 11.811 -5.756 14.037 1.00 0.00 C ATOM 713 C ARG A 47 12.770 -4.605 13.747 1.00 0.00 C ATOM 714 O ARG A 47 12.702 -3.980 12.690 1.00 0.00 O ATOM 715 CB ARG A 47 10.920 -5.403 15.229 1.00 0.00 C ATOM 716 CG ARG A 47 9.525 -6.000 15.144 1.00 0.00 C ATOM 717 CD ARG A 47 8.500 -5.122 15.845 1.00 0.00 C ATOM 718 NE ARG A 47 8.044 -4.026 14.993 1.00 0.00 N ATOM 719 CZ ARG A 47 6.958 -3.303 15.243 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.220 -3.559 16.315 1.00 0.00 N ATOM 721 NH2 ARG A 47 6.608 -2.322 14.421 1.00 0.00 N ATOM 0 H ARG A 47 12.696 -7.186 15.289 1.00 0.00 H new ATOM 0 HA ARG A 47 11.185 -5.915 13.159 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.399 -5.749 16.145 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.838 -4.319 15.302 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.244 -6.125 14.098 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.525 -6.992 15.595 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.645 -5.729 16.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.935 -4.715 16.758 1.00 0.00 H new ATOM 0 HE ARG A 47 8.590 -3.804 14.160 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.486 -4.312 16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.387 -3.003 16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.173 -2.122 13.596 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.774 -1.768 14.614 1.00 0.00 H new ATOM 735 N ASN A 48 13.663 -4.332 14.693 1.00 0.00 N ATOM 736 CA ASN A 48 14.635 -3.256 14.539 1.00 0.00 C ATOM 737 C ASN A 48 15.682 -3.615 13.490 1.00 0.00 C ATOM 738 O ASN A 48 16.147 -2.754 12.744 1.00 0.00 O ATOM 739 CB ASN A 48 15.317 -2.962 15.877 1.00 0.00 C ATOM 740 CG ASN A 48 14.416 -2.200 16.830 1.00 0.00 C ATOM 741 OD1 ASN A 48 13.626 -2.794 17.563 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.532 -0.877 16.823 1.00 0.00 N ATOM 0 H ASN A 48 13.733 -4.841 15.574 1.00 0.00 H new ATOM 0 HA ASN A 48 14.104 -2.365 14.206 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.621 -3.900 16.341 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.225 -2.385 15.700 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.952 -0.311 17.443 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.201 -0.427 16.198 1.00 0.00 H new ATOM 749 N GLN A 49 16.048 -4.892 13.439 1.00 0.00 N ATOM 750 CA GLN A 49 17.040 -5.365 12.481 1.00 0.00 C ATOM 751 C GLN A 49 16.676 -4.936 11.063 1.00 0.00 C ATOM 752 O GLN A 49 15.514 -4.657 10.767 1.00 0.00 O ATOM 753 CB GLN A 49 17.162 -6.888 12.550 1.00 0.00 C ATOM 754 CG GLN A 49 18.206 -7.370 13.545 1.00 0.00 C ATOM 755 CD GLN A 49 17.991 -8.811 13.964 1.00 0.00 C ATOM 756 OE1 GLN A 49 16.870 -9.222 14.265 1.00 0.00 O ATOM 757 NE2 GLN A 49 19.068 -9.588 13.984 1.00 0.00 N ATOM 0 H GLN A 49 15.672 -5.617 14.050 1.00 0.00 H new ATOM 0 HA GLN A 49 18.000 -4.919 12.741 1.00 0.00 H new ATOM 0 HB2 GLN A 49 16.194 -7.310 12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.412 -7.269 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.197 -7.268 13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 49 18.183 -6.731 14.428 1.00 0.00 H new ATOM 0 HE21 GLN A 49 19.978 -9.205 13.727 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.985 -10.567 14.257 1.00 0.00 H new ATOM 766 N LYS A 50 17.676 -4.885 10.191 1.00 0.00 N ATOM 767 CA LYS A 50 17.462 -4.491 8.803 1.00 0.00 C ATOM 768 C LYS A 50 16.433 -5.396 8.133 1.00 0.00 C ATOM 769 O LYS A 50 16.468 -6.620 8.265 1.00 0.00 O ATOM 770 CB LYS A 50 18.781 -4.540 8.028 1.00 0.00 C ATOM 771 CG LYS A 50 18.831 -3.580 6.852 1.00 0.00 C ATOM 772 CD LYS A 50 18.183 -4.180 5.615 1.00 0.00 C ATOM 773 CE LYS A 50 19.124 -5.138 4.902 1.00 0.00 C ATOM 774 NZ LYS A 50 18.381 -6.180 4.140 1.00 0.00 N ATOM 0 H LYS A 50 18.644 -5.112 10.420 1.00 0.00 H new ATOM 0 HA LYS A 50 17.081 -3.470 8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.601 -4.311 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.942 -5.555 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.323 -2.652 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.868 -3.325 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.272 -4.707 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.890 -3.382 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.765 -4.578 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.776 -5.618 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.559 -7.113 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.362 -5.974 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.702 -6.182 3.151 1.00 0.00 H new ATOM 788 N PRO A 51 15.496 -4.783 7.395 1.00 0.00 N ATOM 789 CA PRO A 51 14.441 -5.516 6.688 1.00 0.00 C ATOM 790 C PRO A 51 14.982 -6.319 5.510 1.00 0.00 C ATOM 791 O PRO A 51 15.760 -5.809 4.704 1.00 0.00 O ATOM 792 CB PRO A 51 13.508 -4.406 6.195 1.00 0.00 C ATOM 793 CG PRO A 51 14.375 -3.199 6.095 1.00 0.00 C ATOM 794 CD PRO A 51 15.394 -3.328 7.194 1.00 0.00 C ATOM 0 HA PRO A 51 13.953 -6.249 7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.068 -4.658 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.683 -4.245 6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.858 -3.145 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.789 -2.287 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.352 -2.894 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.072 -2.818 8.102 1.00 0.00 H new ATOM 802 N ARG A 52 14.566 -7.577 5.417 1.00 0.00 N ATOM 803 CA ARG A 52 15.010 -8.451 4.338 1.00 0.00 C ATOM 804 C ARG A 52 14.656 -7.858 2.977 1.00 0.00 C ATOM 805 O ARG A 52 15.424 -7.965 2.023 1.00 0.00 O ATOM 806 CB ARG A 52 14.378 -9.837 4.482 1.00 0.00 C ATOM 807 CG ARG A 52 14.906 -10.627 5.667 1.00 0.00 C ATOM 808 CD ARG A 52 16.315 -11.139 5.412 1.00 0.00 C ATOM 809 NE ARG A 52 16.342 -12.180 4.388 1.00 0.00 N ATOM 810 CZ ARG A 52 15.913 -13.421 4.590 1.00 0.00 C ATOM 811 NH1 ARG A 52 15.427 -13.774 5.773 1.00 0.00 N ATOM 812 NH2 ARG A 52 15.970 -14.313 3.609 1.00 0.00 N ATOM 0 H ARG A 52 13.922 -8.014 6.076 1.00 0.00 H new ATOM 0 HA ARG A 52 16.094 -8.545 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.298 -9.726 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.557 -10.405 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.902 -9.997 6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.243 -11.468 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.952 -10.310 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.731 -11.532 6.340 1.00 0.00 H new ATOM 0 HE ARG A 52 16.710 -11.941 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.382 -13.092 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.098 -14.727 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.344 -14.046 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.640 -15.265 3.766 1.00 0.00 H new ATOM 826 N GLY A 53 13.486 -7.231 2.897 1.00 0.00 N ATOM 827 CA GLY A 53 13.050 -6.630 1.650 1.00 0.00 C ATOM 828 C GLY A 53 11.890 -5.673 1.841 1.00 0.00 C ATOM 829 O GLY A 53 11.049 -5.872 2.719 1.00 0.00 O ATOM 0 H GLY A 53 12.833 -7.129 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.885 -6.097 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.757 -7.416 0.954 1.00 0.00 H new ATOM 833 N THR A 54 11.844 -4.630 1.019 1.00 0.00 N ATOM 834 CA THR A 54 10.781 -3.637 1.103 1.00 0.00 C ATOM 835 C THR A 54 10.165 -3.372 -0.266 1.00 0.00 C ATOM 836 O THR A 54 10.847 -3.446 -1.290 1.00 0.00 O ATOM 837 CB THR A 54 11.298 -2.308 1.686 1.00 0.00 C ATOM 838 OG1 THR A 54 12.247 -1.717 0.791 1.00 0.00 O ATOM 839 CG2 THR A 54 11.944 -2.528 3.045 1.00 0.00 C ATOM 0 H THR A 54 12.531 -4.451 0.287 1.00 0.00 H new ATOM 0 HA THR A 54 10.020 -4.046 1.768 1.00 0.00 H new ATOM 0 HB THR A 54 10.449 -1.636 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.570 -0.872 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.301 -1.576 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.211 -2.951 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.783 -3.216 2.942 1.00 0.00 H new ATOM 847 N LEU A 55 8.873 -3.064 -0.279 1.00 0.00 N ATOM 848 CA LEU A 55 8.165 -2.787 -1.524 1.00 0.00 C ATOM 849 C LEU A 55 7.254 -1.573 -1.375 1.00 0.00 C ATOM 850 O LEU A 55 6.435 -1.510 -0.459 1.00 0.00 O ATOM 851 CB LEU A 55 7.344 -4.006 -1.948 1.00 0.00 C ATOM 852 CG LEU A 55 6.509 -3.844 -3.219 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.373 -4.037 -4.455 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.345 -4.824 -3.221 1.00 0.00 C ATOM 0 H LEU A 55 8.294 -3.000 0.558 1.00 0.00 H new ATOM 0 HA LEU A 55 8.906 -2.569 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.024 -4.846 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.675 -4.271 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 55 6.106 -2.832 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.761 -3.918 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.171 -3.295 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.807 -5.037 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.762 -4.694 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.728 -5.844 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.710 -4.637 -2.355 1.00 0.00 H new ATOM 866 N GLN A 56 7.403 -0.613 -2.282 1.00 0.00 N ATOM 867 CA GLN A 56 6.592 0.599 -2.251 1.00 0.00 C ATOM 868 C GLN A 56 5.160 0.306 -2.685 1.00 0.00 C ATOM 869 O GLN A 56 4.927 -0.473 -3.610 1.00 0.00 O ATOM 870 CB GLN A 56 7.204 1.670 -3.156 1.00 0.00 C ATOM 871 CG GLN A 56 8.250 2.527 -2.462 1.00 0.00 C ATOM 872 CD GLN A 56 9.199 3.194 -3.438 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.777 3.950 -4.314 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.490 2.917 -3.293 1.00 0.00 N ATOM 0 H GLN A 56 8.077 -0.651 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 56 6.573 0.968 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.658 1.187 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.409 2.314 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.751 3.291 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.822 1.907 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.796 2.285 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.175 3.336 -3.921 1.00 0.00 H new ATOM 883 N LEU A 57 4.203 0.935 -2.012 1.00 0.00 N ATOM 884 CA LEU A 57 2.792 0.743 -2.328 1.00 0.00 C ATOM 885 C LEU A 57 2.265 1.887 -3.188 1.00 0.00 C ATOM 886 O LEU A 57 1.425 1.683 -4.064 1.00 0.00 O ATOM 887 CB LEU A 57 1.971 0.637 -1.042 1.00 0.00 C ATOM 888 CG LEU A 57 2.132 -0.660 -0.248 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.525 -0.515 1.139 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.495 -1.824 -0.992 1.00 0.00 C ATOM 0 H LEU A 57 4.378 1.583 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 57 2.695 -0.185 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.238 1.472 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.918 0.756 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 57 3.197 -0.866 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.649 -1.448 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.027 0.291 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.463 -0.285 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.619 -2.738 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.433 -1.627 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.976 -1.942 -1.963 1.00 0.00 H new ATOM 902 N ALA A 58 2.767 3.091 -2.934 1.00 0.00 N ATOM 903 CA ALA A 58 2.351 4.267 -3.687 1.00 0.00 C ATOM 904 C ALA A 58 2.197 3.943 -5.170 1.00 0.00 C ATOM 905 O ALA A 58 3.165 3.985 -5.928 1.00 0.00 O ATOM 906 CB ALA A 58 3.349 5.399 -3.494 1.00 0.00 C ATOM 0 H ALA A 58 3.463 3.277 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 58 1.380 4.585 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.025 6.271 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.407 5.657 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.331 5.082 -3.845 1.00 0.00 H new ATOM 912 N GLY A 59 0.973 3.620 -5.576 1.00 0.00 N ATOM 913 CA GLY A 59 0.715 3.292 -6.966 1.00 0.00 C ATOM 914 C GLY A 59 0.834 1.807 -7.244 1.00 0.00 C ATOM 915 O GLY A 59 1.456 1.400 -8.225 1.00 0.00 O ATOM 0 H GLY A 59 0.156 3.580 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.286 3.630 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.416 3.834 -7.600 1.00 0.00 H new ATOM 919 N ALA A 60 0.237 0.995 -6.377 1.00 0.00 N ATOM 920 CA ALA A 60 0.278 -0.453 -6.534 1.00 0.00 C ATOM 921 C ALA A 60 -1.118 -1.021 -6.765 1.00 0.00 C ATOM 922 O ALA A 60 -2.114 -0.304 -6.667 1.00 0.00 O ATOM 923 CB ALA A 60 0.917 -1.099 -5.313 1.00 0.00 C ATOM 0 H ALA A 60 -0.281 1.316 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 60 0.884 -0.681 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.941 -2.181 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.934 -0.725 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.334 -0.854 -4.425 1.00 0.00 H new ATOM 929 N VAL A 61 -1.184 -2.312 -7.074 1.00 0.00 N ATOM 930 CA VAL A 61 -2.458 -2.976 -7.318 1.00 0.00 C ATOM 931 C VAL A 61 -2.539 -4.303 -6.572 1.00 0.00 C ATOM 932 O VAL A 61 -1.547 -5.023 -6.458 1.00 0.00 O ATOM 933 CB VAL A 61 -2.680 -3.230 -8.821 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.823 -4.210 -9.035 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.946 -1.921 -9.549 1.00 0.00 C ATOM 0 H VAL A 61 -0.369 -2.919 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.238 -2.309 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.773 -3.672 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.964 -4.377 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.587 -5.156 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.738 -3.801 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.101 -2.119 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.837 -1.449 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.092 -1.256 -9.425 1.00 0.00 H new ATOM 945 N ILE A 62 -3.727 -4.620 -6.067 1.00 0.00 N ATOM 946 CA ILE A 62 -3.937 -5.862 -5.333 1.00 0.00 C ATOM 947 C ILE A 62 -4.894 -6.786 -6.079 1.00 0.00 C ATOM 948 O ILE A 62 -6.041 -6.425 -6.344 1.00 0.00 O ATOM 949 CB ILE A 62 -4.494 -5.595 -3.923 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.492 -4.782 -3.100 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.820 -6.907 -3.225 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.442 -3.319 -3.483 1.00 0.00 C ATOM 0 H ILE A 62 -4.558 -4.034 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.964 -6.345 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.413 -5.017 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.750 -4.864 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.499 -5.215 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.213 -6.702 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.566 -7.452 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.915 -7.509 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.711 -2.804 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.154 -3.227 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.424 -2.871 -3.336 1.00 0.00 H new ATOM 964 N SER A 63 -4.415 -7.980 -6.413 1.00 0.00 N ATOM 965 CA SER A 63 -5.227 -8.956 -7.131 1.00 0.00 C ATOM 966 C SER A 63 -5.209 -10.305 -6.420 1.00 0.00 C ATOM 967 O SER A 63 -4.258 -11.080 -6.528 1.00 0.00 O ATOM 968 CB SER A 63 -4.722 -9.115 -8.566 1.00 0.00 C ATOM 969 OG SER A 63 -5.622 -9.888 -9.341 1.00 0.00 O ATOM 0 H SER A 63 -3.469 -8.295 -6.198 1.00 0.00 H new ATOM 0 HA SER A 63 -6.254 -8.591 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.596 -8.133 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.742 -9.591 -8.559 1.00 0.00 H new ATOM 0 HG SER A 63 -5.277 -9.974 -10.254 1.00 0.00 H new ATOM 975 N PRO A 64 -6.285 -10.595 -5.673 1.00 0.00 N ATOM 976 CA PRO A 64 -6.418 -11.851 -4.930 1.00 0.00 C ATOM 977 C PRO A 64 -6.611 -13.052 -5.850 1.00 0.00 C ATOM 978 O PRO A 64 -7.695 -13.261 -6.393 1.00 0.00 O ATOM 979 CB PRO A 64 -7.667 -11.627 -4.074 1.00 0.00 C ATOM 980 CG PRO A 64 -8.459 -10.609 -4.821 1.00 0.00 C ATOM 981 CD PRO A 64 -7.455 -9.719 -5.499 1.00 0.00 C ATOM 0 HA PRO A 64 -5.523 -12.078 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.230 -12.551 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.406 -11.272 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.115 -11.084 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.095 -10.036 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.826 -9.350 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.217 -8.846 -4.891 1.00 0.00 H new ATOM 989 N SER A 65 -5.553 -13.838 -6.019 1.00 0.00 N ATOM 990 CA SER A 65 -5.605 -15.016 -6.877 1.00 0.00 C ATOM 991 C SER A 65 -6.762 -15.927 -6.478 1.00 0.00 C ATOM 992 O SER A 65 -7.213 -15.911 -5.332 1.00 0.00 O ATOM 993 CB SER A 65 -4.285 -15.787 -6.802 1.00 0.00 C ATOM 994 OG SER A 65 -4.147 -16.669 -7.902 1.00 0.00 O ATOM 0 H SER A 65 -4.649 -13.681 -5.573 1.00 0.00 H new ATOM 0 HA SER A 65 -5.764 -14.682 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.451 -15.086 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.243 -16.352 -5.871 1.00 0.00 H new ATOM 0 HG SER A 65 -3.295 -17.148 -7.832 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.238 -16.720 -7.431 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.342 -17.639 -7.181 1.00 0.00 C ATOM 1002 C ASP A 66 -7.860 -19.087 -7.204 1.00 0.00 C ATOM 1003 O ASP A 66 -8.577 -19.982 -7.649 1.00 0.00 O ATOM 1004 CB ASP A 66 -9.446 -17.440 -8.220 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.078 -16.064 -8.137 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -9.348 -15.093 -7.846 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -11.302 -15.958 -8.362 1.00 0.00 O ATOM 0 H ASP A 66 -6.876 -16.745 -8.384 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.743 -17.424 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.033 -17.587 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.215 -18.199 -8.078 1.00 0.00 H new ATOM 1012 N GLU A 67 -6.641 -19.307 -6.722 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.063 -20.645 -6.690 1.00 0.00 C ATOM 1014 C GLU A 67 -6.418 -21.360 -5.389 1.00 0.00 C ATOM 1015 O GLU A 67 -7.125 -22.368 -5.395 1.00 0.00 O ATOM 1016 CB GLU A 67 -4.543 -20.573 -6.847 1.00 0.00 C ATOM 1017 CG GLU A 67 -4.076 -20.636 -8.291 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.566 -20.702 -8.414 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -1.913 -19.647 -8.271 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.038 -21.808 -8.653 1.00 0.00 O ATOM 0 H GLU A 67 -6.035 -18.576 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.480 -21.213 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.183 -19.647 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.090 -21.394 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.514 -21.510 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.442 -19.760 -8.826 1.00 0.00 H new ATOM 1027 N ASP A 68 -5.922 -20.831 -4.276 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.186 -21.417 -2.967 1.00 0.00 C ATOM 1029 C ASP A 68 -6.975 -20.451 -2.089 1.00 0.00 C ATOM 1030 O ASP A 68 -6.859 -19.233 -2.229 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.873 -21.794 -2.279 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.214 -23.004 -2.914 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -4.179 -23.075 -4.160 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.734 -23.880 -2.164 1.00 0.00 O ATOM 0 H ASP A 68 -5.335 -19.997 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.782 -22.318 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.188 -20.947 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.064 -21.999 -1.225 1.00 0.00 H new ATOM 1039 N SER A 69 -7.778 -21.003 -1.185 1.00 0.00 N ATOM 1040 CA SER A 69 -8.590 -20.190 -0.287 1.00 0.00 C ATOM 1041 C SER A 69 -7.827 -18.947 0.161 1.00 0.00 C ATOM 1042 O SER A 69 -8.345 -17.831 0.100 1.00 0.00 O ATOM 1043 CB SER A 69 -9.014 -21.010 0.934 1.00 0.00 C ATOM 1044 OG SER A 69 -10.104 -20.400 1.603 1.00 0.00 O ATOM 0 H SER A 69 -7.884 -22.009 -1.055 1.00 0.00 H new ATOM 0 HA SER A 69 -9.480 -19.872 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.292 -22.017 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.172 -21.110 1.619 1.00 0.00 H new ATOM 0 HG SER A 69 -10.172 -19.461 1.330 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.593 -19.148 0.612 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.757 -18.045 1.070 1.00 0.00 C ATOM 1052 C HIS A 70 -4.653 -17.744 0.060 1.00 0.00 C ATOM 1053 O HIS A 70 -3.677 -18.487 -0.049 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.144 -18.373 2.431 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.999 -19.267 3.274 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.374 -19.170 3.319 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -5.668 -20.282 4.106 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -7.852 -20.085 4.144 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -6.837 -20.774 4.634 1.00 0.00 N ATOM 0 H HIS A 70 -6.150 -20.065 0.670 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.387 -17.161 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.175 -18.849 2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.961 -17.444 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.670 -20.639 4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.895 -20.243 4.378 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.909 -21.546 5.297 1.00 0.00 H new ATOM 1068 N THR A 71 -4.814 -16.649 -0.677 1.00 0.00 N ATOM 1069 CA THR A 71 -3.833 -16.251 -1.678 1.00 0.00 C ATOM 1070 C THR A 71 -4.086 -14.827 -2.161 1.00 0.00 C ATOM 1071 O THR A 71 -5.233 -14.402 -2.295 1.00 0.00 O ATOM 1072 CB THR A 71 -3.849 -17.202 -2.890 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.127 -18.539 -2.459 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.517 -17.167 -3.624 1.00 0.00 C ATOM 0 H THR A 71 -5.615 -16.022 -0.599 1.00 0.00 H new ATOM 0 HA THR A 71 -2.855 -16.301 -1.199 1.00 0.00 H new ATOM 0 HB THR A 71 -4.631 -16.871 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.496 -18.793 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.553 -17.846 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.322 -16.154 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.720 -17.475 -2.947 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.008 -14.095 -2.421 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.114 -12.718 -2.889 1.00 0.00 C ATOM 1084 C PHE A 72 -1.748 -12.178 -3.303 1.00 0.00 C ATOM 1085 O PHE A 72 -0.714 -12.619 -2.801 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.715 -11.831 -1.797 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.773 -11.557 -0.660 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -1.735 -10.651 -0.806 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -2.924 -12.206 0.555 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -0.866 -10.397 0.239 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -2.059 -11.956 1.603 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.028 -11.051 1.444 1.00 0.00 C ATOM 0 H PHE A 72 -2.051 -14.432 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.770 -12.706 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.023 -10.884 -2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.614 -12.308 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.603 -10.137 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.728 -12.916 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.061 -9.688 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.189 -12.468 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.349 -10.855 2.261 1.00 0.00 H new ATOM 1102 N THR A 73 -1.752 -11.220 -4.225 1.00 0.00 N ATOM 1103 CA THR A 73 -0.516 -10.620 -4.710 1.00 0.00 C ATOM 1104 C THR A 73 -0.524 -9.108 -4.513 1.00 0.00 C ATOM 1105 O THR A 73 -1.575 -8.506 -4.292 1.00 0.00 O ATOM 1106 CB THR A 73 -0.287 -10.931 -6.201 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.504 -10.745 -6.932 1.00 0.00 O ATOM 1108 CG2 THR A 73 0.208 -12.357 -6.386 1.00 0.00 C ATOM 0 H THR A 73 -2.599 -10.843 -4.651 1.00 0.00 H new ATOM 0 HA THR A 73 0.296 -11.055 -4.127 1.00 0.00 H new ATOM 0 HB THR A 73 0.473 -10.247 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.520 -11.353 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.363 -12.554 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.149 -12.488 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.532 -13.053 -5.992 1.00 0.00 H new ATOM 1116 N VAL A 74 0.655 -8.499 -4.594 1.00 0.00 N ATOM 1117 CA VAL A 74 0.783 -7.057 -4.427 1.00 0.00 C ATOM 1118 C VAL A 74 1.622 -6.446 -5.544 1.00 0.00 C ATOM 1119 O VAL A 74 2.848 -6.391 -5.454 1.00 0.00 O ATOM 1120 CB VAL A 74 1.420 -6.704 -3.070 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.586 -5.198 -2.933 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.585 -7.263 -1.928 1.00 0.00 C ATOM 0 H VAL A 74 1.535 -8.982 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.225 -6.643 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 74 2.409 -7.160 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.038 -4.968 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.229 -4.829 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.610 -4.717 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.050 -7.004 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.418 -6.839 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.524 -8.348 -2.019 1.00 0.00 H new ATOM 1132 N ASN A 75 0.953 -5.988 -6.597 1.00 0.00 N ATOM 1133 CA ASN A 75 1.637 -5.381 -7.733 1.00 0.00 C ATOM 1134 C ASN A 75 2.371 -4.112 -7.311 1.00 0.00 C ATOM 1135 O ASN A 75 2.209 -3.633 -6.189 1.00 0.00 O ATOM 1136 CB ASN A 75 0.636 -5.059 -8.845 1.00 0.00 C ATOM 1137 CG ASN A 75 0.382 -6.245 -9.755 1.00 0.00 C ATOM 1138 OD1 ASN A 75 0.930 -6.326 -10.854 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.454 -7.171 -9.300 1.00 0.00 N ATOM 0 H ASN A 75 -0.062 -6.026 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 75 2.370 -6.095 -8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.306 -4.737 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.011 -4.224 -9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.665 -7.991 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.885 -7.062 -8.382 1.00 0.00 H new ATOM 1146 N ALA A 76 3.178 -3.572 -8.218 1.00 0.00 N ATOM 1147 CA ALA A 76 3.935 -2.358 -7.942 1.00 0.00 C ATOM 1148 C ALA A 76 4.025 -1.473 -9.180 1.00 0.00 C ATOM 1149 O ALA A 76 4.178 -1.967 -10.297 1.00 0.00 O ATOM 1150 CB ALA A 76 5.327 -2.707 -7.437 1.00 0.00 C ATOM 0 H ALA A 76 3.324 -3.957 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 76 3.409 -1.800 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.881 -1.790 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.246 -3.291 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.853 -3.290 -8.193 1.00 0.00 H new ATOM 1156 N ALA A 77 3.929 -0.163 -8.975 1.00 0.00 N ATOM 1157 CA ALA A 77 4.001 0.790 -10.075 1.00 0.00 C ATOM 1158 C ALA A 77 5.158 0.459 -11.013 1.00 0.00 C ATOM 1159 O ALA A 77 4.959 0.251 -12.210 1.00 0.00 O ATOM 1160 CB ALA A 77 4.143 2.206 -9.538 1.00 0.00 C ATOM 0 H ALA A 77 3.801 0.262 -8.057 1.00 0.00 H new ATOM 0 HA ALA A 77 3.074 0.721 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.196 2.907 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.282 2.447 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.053 2.280 -8.943 1.00 0.00 H new ATOM 1166 N SER A 78 6.366 0.413 -10.461 1.00 0.00 N ATOM 1167 CA SER A 78 7.555 0.112 -11.249 1.00 0.00 C ATOM 1168 C SER A 78 7.323 -1.104 -12.141 1.00 0.00 C ATOM 1169 O SER A 78 7.682 -1.103 -13.318 1.00 0.00 O ATOM 1170 CB SER A 78 8.753 -0.137 -10.330 1.00 0.00 C ATOM 1171 OG SER A 78 9.326 1.084 -9.897 1.00 0.00 O ATOM 0 H SER A 78 6.547 0.580 -9.471 1.00 0.00 H new ATOM 0 HA SER A 78 7.766 0.972 -11.884 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.437 -0.721 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.503 -0.728 -10.857 1.00 0.00 H new ATOM 0 HG SER A 78 10.088 0.898 -9.310 1.00 0.00 H new ATOM 1177 N GLY A 79 6.718 -2.142 -11.571 1.00 0.00 N ATOM 1178 CA GLY A 79 6.447 -3.350 -12.327 1.00 0.00 C ATOM 1179 C GLY A 79 6.917 -4.600 -11.610 1.00 0.00 C ATOM 1180 O GLY A 79 7.625 -5.425 -12.187 1.00 0.00 O ATOM 0 H GLY A 79 6.411 -2.167 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.376 -3.424 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.938 -3.285 -13.298 1.00 0.00 H new ATOM 1184 N GLU A 80 6.524 -4.740 -10.348 1.00 0.00 N ATOM 1185 CA GLU A 80 6.912 -5.898 -9.551 1.00 0.00 C ATOM 1186 C GLU A 80 5.697 -6.523 -8.872 1.00 0.00 C ATOM 1187 O GLU A 80 4.745 -5.828 -8.520 1.00 0.00 O ATOM 1188 CB GLU A 80 7.948 -5.497 -8.499 1.00 0.00 C ATOM 1189 CG GLU A 80 8.387 -6.646 -7.607 1.00 0.00 C ATOM 1190 CD GLU A 80 9.354 -7.586 -8.301 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.471 -7.144 -8.640 1.00 0.00 O ATOM 1192 OE2 GLU A 80 8.993 -8.764 -8.503 1.00 0.00 O ATOM 0 H GLU A 80 5.937 -4.066 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 80 7.352 -6.637 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.823 -5.084 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.533 -4.704 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.857 -6.245 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.510 -7.206 -7.284 1.00 0.00 H new ATOM 1199 N GLN A 81 5.740 -7.840 -8.692 1.00 0.00 N ATOM 1200 CA GLN A 81 4.642 -8.559 -8.057 1.00 0.00 C ATOM 1201 C GLN A 81 5.137 -9.356 -6.855 1.00 0.00 C ATOM 1202 O GLN A 81 6.214 -9.952 -6.893 1.00 0.00 O ATOM 1203 CB GLN A 81 3.968 -9.495 -9.062 1.00 0.00 C ATOM 1204 CG GLN A 81 2.557 -9.899 -8.665 1.00 0.00 C ATOM 1205 CD GLN A 81 1.765 -10.468 -9.826 1.00 0.00 C ATOM 1206 OE1 GLN A 81 2.314 -10.735 -10.895 1.00 0.00 O ATOM 1207 NE2 GLN A 81 0.467 -10.655 -9.621 1.00 0.00 N ATOM 0 H GLN A 81 6.522 -8.429 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 81 3.914 -7.826 -7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.937 -9.007 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.576 -10.393 -9.174 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.606 -10.639 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.034 -9.031 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.054 -10.420 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.118 -11.034 -10.366 1.00 0.00 H new ATOM 1216 N TYR A 82 4.345 -9.362 -5.788 1.00 0.00 N ATOM 1217 CA TYR A 82 4.705 -10.083 -4.573 1.00 0.00 C ATOM 1218 C TYR A 82 3.729 -11.225 -4.309 1.00 0.00 C ATOM 1219 O TYR A 82 2.517 -11.019 -4.237 1.00 0.00 O ATOM 1220 CB TYR A 82 4.728 -9.130 -3.377 1.00 0.00 C ATOM 1221 CG TYR A 82 6.070 -8.472 -3.153 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.797 -7.952 -4.217 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.613 -8.370 -1.878 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.025 -7.350 -4.017 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.839 -7.769 -1.668 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.541 -7.261 -2.741 1.00 0.00 C ATOM 1227 OH TYR A 82 9.763 -6.662 -2.537 1.00 0.00 O ATOM 0 H TYR A 82 3.450 -8.876 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 82 5.701 -10.504 -4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.974 -8.357 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.448 -9.681 -2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.396 -8.019 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.067 -8.768 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.577 -6.952 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.245 -7.697 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 82 9.981 -6.680 -1.582 1.00 0.00 H new ATOM 1237 N LYS A 83 4.266 -12.432 -4.164 1.00 0.00 N ATOM 1238 CA LYS A 83 3.445 -13.609 -3.905 1.00 0.00 C ATOM 1239 C LYS A 83 3.389 -13.915 -2.412 1.00 0.00 C ATOM 1240 O LYS A 83 4.313 -14.507 -1.854 1.00 0.00 O ATOM 1241 CB LYS A 83 3.998 -14.818 -4.664 1.00 0.00 C ATOM 1242 CG LYS A 83 3.020 -15.977 -4.756 1.00 0.00 C ATOM 1243 CD LYS A 83 3.259 -16.810 -6.004 1.00 0.00 C ATOM 1244 CE LYS A 83 2.546 -16.221 -7.212 1.00 0.00 C ATOM 1245 NZ LYS A 83 3.337 -15.128 -7.844 1.00 0.00 N ATOM 0 H LYS A 83 5.267 -12.621 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 83 2.433 -13.400 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.277 -14.508 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.909 -15.160 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.117 -16.608 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.000 -15.594 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.329 -16.869 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.910 -17.829 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.363 -17.007 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.573 -15.836 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.159 -15.118 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.055 -14.214 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.350 -15.287 -7.670 1.00 0.00 H new ATOM 1259 N LEU A 84 2.298 -13.510 -1.771 1.00 0.00 N ATOM 1260 CA LEU A 84 2.120 -13.743 -0.341 1.00 0.00 C ATOM 1261 C LEU A 84 0.822 -14.496 -0.070 1.00 0.00 C ATOM 1262 O LEU A 84 -0.055 -14.573 -0.931 1.00 0.00 O ATOM 1263 CB LEU A 84 2.119 -12.414 0.416 1.00 0.00 C ATOM 1264 CG LEU A 84 3.215 -11.421 0.029 1.00 0.00 C ATOM 1265 CD1 LEU A 84 3.052 -10.119 0.797 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.591 -12.021 0.279 1.00 0.00 C ATOM 0 H LEU A 84 1.524 -13.019 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 84 2.953 -14.353 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.152 -11.934 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.208 -12.626 1.482 1.00 0.00 H new ATOM 0 HG LEU A 84 3.123 -11.205 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.841 -9.425 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.081 -9.680 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.117 -10.317 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.359 -11.300 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.694 -12.267 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.707 -12.926 -0.317 1.00 0.00 H new ATOM 1278 N ARG A 85 0.705 -15.049 1.133 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.487 -15.796 1.518 1.00 0.00 C ATOM 1280 C ARG A 85 -0.836 -15.545 2.982 1.00 0.00 C ATOM 1281 O ARG A 85 0.003 -15.708 3.867 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.276 -17.292 1.282 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.393 -18.160 1.838 1.00 0.00 C ATOM 1284 CD ARG A 85 -1.385 -19.547 1.214 1.00 0.00 C ATOM 1285 NE ARG A 85 -0.451 -20.445 1.888 1.00 0.00 N ATOM 1286 CZ ARG A 85 -0.252 -21.706 1.523 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -0.917 -22.216 0.495 1.00 0.00 N ATOM 1288 NH2 ARG A 85 0.616 -22.461 2.185 1.00 0.00 N ATOM 0 H ARG A 85 1.421 -14.994 1.858 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.316 -15.452 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.186 -17.473 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.668 -17.593 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.285 -18.246 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.354 -17.681 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.389 -19.970 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.117 -19.469 0.160 1.00 0.00 H new ATOM 0 HE ARG A 85 0.077 -20.084 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.584 -21.639 -0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.762 -23.185 0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.131 -22.073 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.768 -23.430 1.904 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.080 -15.147 3.229 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.540 -14.875 4.585 1.00 0.00 C ATOM 1304 C ALA A 86 -2.539 -16.145 5.430 1.00 0.00 C ATOM 1305 O ALA A 86 -2.240 -17.232 4.936 1.00 0.00 O ATOM 1306 CB ALA A 86 -3.931 -14.259 4.556 1.00 0.00 C ATOM 0 H ALA A 86 -2.787 -15.006 2.507 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.850 -14.166 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.263 -14.061 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.904 -13.325 3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.625 -14.950 4.077 1.00 0.00 H new ATOM 1312 N THR A 87 -2.876 -16.000 6.708 1.00 0.00 N ATOM 1313 CA THR A 87 -2.912 -17.134 7.622 1.00 0.00 C ATOM 1314 C THR A 87 -4.182 -17.954 7.431 1.00 0.00 C ATOM 1315 O THR A 87 -4.226 -19.137 7.770 1.00 0.00 O ATOM 1316 CB THR A 87 -2.825 -16.675 9.090 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.471 -17.781 9.929 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.150 -16.086 9.551 1.00 0.00 C ATOM 0 H THR A 87 -3.128 -15.108 7.133 1.00 0.00 H new ATOM 0 HA THR A 87 -2.046 -17.754 7.391 1.00 0.00 H new ATOM 0 HB THR A 87 -2.057 -15.904 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.416 -17.481 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.065 -15.769 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.403 -15.227 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.933 -16.839 9.464 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.214 -17.319 6.887 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.487 -17.990 6.649 1.00 0.00 C ATOM 1328 C ASP A 88 -7.329 -17.217 5.640 1.00 0.00 C ATOM 1329 O ASP A 88 -6.944 -16.137 5.192 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.257 -18.148 7.961 1.00 0.00 C ATOM 1331 CG ASP A 88 -6.626 -19.173 8.883 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -6.287 -20.275 8.402 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -6.472 -18.874 10.085 1.00 0.00 O ATOM 0 H ASP A 88 -5.194 -16.340 6.602 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.278 -18.978 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.303 -17.185 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.284 -18.443 7.743 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.481 -17.777 5.286 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.379 -17.139 4.330 1.00 0.00 C ATOM 1340 C ALA A 89 -10.039 -15.905 4.936 1.00 0.00 C ATOM 1341 O ALA A 89 -10.616 -15.084 4.223 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.435 -18.127 3.859 1.00 0.00 C ATOM 0 H ALA A 89 -8.815 -18.671 5.647 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.788 -16.818 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.099 -17.638 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.950 -18.977 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.015 -18.475 4.714 1.00 0.00 H new ATOM 1348 N LYS A 90 -9.950 -15.780 6.256 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.537 -14.646 6.959 1.00 0.00 C ATOM 1350 C LYS A 90 -9.563 -13.473 7.010 1.00 0.00 C ATOM 1351 O LYS A 90 -9.949 -12.325 6.798 1.00 0.00 O ATOM 1352 CB LYS A 90 -10.939 -15.052 8.379 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.343 -13.879 9.255 1.00 0.00 C ATOM 1354 CD LYS A 90 -10.137 -13.240 9.923 1.00 0.00 C ATOM 1355 CE LYS A 90 -10.541 -12.424 11.141 1.00 0.00 C ATOM 1356 NZ LYS A 90 -10.557 -13.248 12.381 1.00 0.00 N ATOM 0 H LYS A 90 -9.476 -16.451 6.861 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.426 -14.333 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.768 -15.757 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.106 -15.575 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.862 -13.135 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.045 -14.218 10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.432 -14.016 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.622 -12.598 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.848 -11.592 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.529 -11.994 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.837 -12.655 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.237 -14.027 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.608 -13.638 12.551 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.298 -13.773 7.291 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.270 -12.742 7.369 1.00 0.00 C ATOM 1372 C GLU A 91 -6.856 -12.279 5.975 1.00 0.00 C ATOM 1373 O GLU A 91 -6.221 -11.237 5.819 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.048 -13.266 8.128 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.874 -12.302 8.130 1.00 0.00 C ATOM 1376 CD GLU A 91 -3.965 -12.492 9.329 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.454 -12.966 10.376 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -2.764 -12.167 9.220 1.00 0.00 O ATOM 0 H GLU A 91 -7.962 -14.720 7.468 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.686 -11.890 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.334 -13.479 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.732 -14.210 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.296 -12.437 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.249 -11.279 8.122 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.222 -13.063 4.966 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.888 -12.735 3.585 1.00 0.00 C ATOM 1387 C ARG A 92 -7.550 -11.427 3.161 1.00 0.00 C ATOM 1388 O ARG A 92 -6.870 -10.453 2.840 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.323 -13.866 2.650 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.823 -13.704 1.224 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.804 -12.910 0.376 1.00 0.00 C ATOM 1392 NE ARG A 92 -8.801 -13.770 -0.256 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.782 -13.314 -1.026 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.897 -12.013 -1.259 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -10.651 -14.159 -1.566 1.00 0.00 N ATOM 0 H ARG A 92 -7.749 -13.929 5.079 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.807 -12.613 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.961 -14.814 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.412 -13.920 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.856 -13.200 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.667 -14.686 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.306 -12.170 0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.258 -12.362 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.740 -14.776 -0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.231 -11.360 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.652 -11.666 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.566 -15.160 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.404 -13.807 -2.157 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.879 -11.416 3.162 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.632 -10.228 2.776 1.00 0.00 C ATOM 1411 C GLN A 93 -9.082 -8.986 3.469 1.00 0.00 C ATOM 1412 O GLN A 93 -8.919 -7.936 2.846 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.112 -10.404 3.119 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.362 -10.762 4.575 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.818 -11.070 4.859 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.153 -12.150 5.347 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.695 -10.120 4.556 1.00 0.00 N ATOM 0 H GLN A 93 -9.456 -12.215 3.425 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.528 -10.097 1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.643 -9.481 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.533 -11.184 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.753 -11.626 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.039 -9.936 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.374 -9.240 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.689 -10.271 4.726 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.797 -9.112 4.761 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.264 -7.998 5.539 1.00 0.00 C ATOM 1428 C HIS A 94 -7.049 -7.386 4.849 1.00 0.00 C ATOM 1429 O HIS A 94 -7.039 -6.198 4.527 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.885 -8.466 6.944 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.260 -7.394 7.783 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.995 -6.462 8.485 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.960 -7.111 8.033 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.175 -5.650 9.128 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.934 -6.023 8.871 1.00 0.00 N ATOM 0 H HIS A 94 -8.926 -9.974 5.292 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.039 -7.235 5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.778 -8.837 7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.193 -9.304 6.865 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.013 -6.408 8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.103 -7.642 7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.469 -4.822 9.757 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.027 -8.204 4.626 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.806 -7.742 3.975 1.00 0.00 C ATOM 1446 C TRP A 95 -5.117 -7.103 2.626 1.00 0.00 C ATOM 1447 O TRP A 95 -4.620 -6.021 2.311 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.831 -8.906 3.789 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.937 -9.127 4.971 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.931 -10.211 5.802 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.921 -8.242 5.455 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.972 -10.052 6.774 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.338 -8.853 6.582 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.446 -6.993 5.044 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.306 -8.256 7.302 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.422 -6.403 5.760 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.139 -7.034 6.878 1.00 0.00 C ATOM 0 H TRP A 95 -6.019 -9.190 4.886 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.345 -6.990 4.615 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.397 -9.817 3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.217 -8.719 2.908 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.583 -11.067 5.709 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.766 -10.719 7.518 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.871 -6.499 4.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.127 -8.741 8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.047 -5.438 5.452 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.939 -6.546 7.416 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.942 -7.778 1.832 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.321 -7.274 0.517 1.00 0.00 C ATOM 1470 C VAL A 96 -6.857 -5.850 0.607 1.00 0.00 C ATOM 1471 O VAL A 96 -6.366 -4.947 -0.070 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.385 -8.171 -0.143 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.753 -7.639 -1.519 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.890 -9.607 -0.232 1.00 0.00 C ATOM 0 H VAL A 96 -6.361 -8.675 2.076 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.420 -7.281 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.282 -8.158 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.506 -8.286 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.152 -6.629 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.865 -7.620 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.654 -10.227 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.979 -9.641 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.682 -9.983 0.770 1.00 0.00 H new ATOM 1484 N SER A 97 -7.868 -5.657 1.449 1.00 0.00 N ATOM 1485 CA SER A 97 -8.474 -4.342 1.626 1.00 0.00 C ATOM 1486 C SER A 97 -7.451 -3.338 2.147 1.00 0.00 C ATOM 1487 O SER A 97 -7.162 -2.334 1.495 1.00 0.00 O ATOM 1488 CB SER A 97 -9.658 -4.429 2.591 1.00 0.00 C ATOM 1489 OG SER A 97 -10.365 -3.202 2.642 1.00 0.00 O ATOM 0 H SER A 97 -8.284 -6.394 2.019 1.00 0.00 H new ATOM 0 HA SER A 97 -8.831 -3.999 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.330 -5.227 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.301 -4.688 3.588 1.00 0.00 H new ATOM 0 HG SER A 97 -11.118 -3.284 3.264 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.906 -3.616 3.327 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.916 -2.737 3.938 1.00 0.00 C ATOM 1497 C ARG A 98 -4.908 -2.251 2.901 1.00 0.00 C ATOM 1498 O ARG A 98 -4.705 -1.047 2.733 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.188 -3.463 5.071 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.086 -3.809 6.248 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.627 -2.558 6.922 1.00 0.00 C ATOM 1502 NE ARG A 98 -5.557 -1.658 7.346 1.00 0.00 N ATOM 1503 CZ ARG A 98 -5.768 -0.529 8.012 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -7.002 -0.163 8.330 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -4.742 0.237 8.363 1.00 0.00 N ATOM 0 H ARG A 98 -7.133 -4.443 3.879 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.438 -1.872 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.747 -4.380 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.367 -2.839 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.916 -4.427 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.527 -4.401 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.290 -2.034 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.226 -2.843 7.787 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.596 -1.911 7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.793 -0.749 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.161 0.705 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.791 -0.042 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.905 1.104 8.875 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.278 -3.193 2.208 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.290 -2.861 1.187 1.00 0.00 C ATOM 1521 C LEU A 99 -3.905 -1.991 0.096 1.00 0.00 C ATOM 1522 O LEU A 99 -3.259 -1.083 -0.425 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.713 -4.138 0.573 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.942 -5.052 1.526 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.984 -6.491 1.035 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.503 -4.578 1.671 1.00 0.00 C ATOM 0 H LEU A 99 -4.434 -4.193 2.334 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.487 -2.299 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.532 -4.710 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.050 -3.856 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.418 -5.010 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.430 -7.127 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.019 -6.827 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.532 -6.551 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.031 -5.240 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.016 -4.591 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.493 -3.563 2.068 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.159 -2.275 -0.243 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.862 -1.517 -1.271 1.00 0.00 C ATOM 1540 C GLN A 100 -6.167 -0.102 -0.791 1.00 0.00 C ATOM 1541 O GLN A 100 -6.292 0.823 -1.595 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.160 -2.227 -1.660 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.961 -3.350 -2.665 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.186 -3.586 -3.527 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.179 -2.865 -3.425 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.121 -4.600 -4.382 1.00 0.00 N ATOM 0 H GLN A 100 -5.708 -3.024 0.179 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.215 -1.453 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.626 -2.633 -0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.853 -1.496 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.111 -3.113 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.713 -4.269 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.277 -5.171 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.915 -4.808 -4.988 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.286 0.060 0.522 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.575 1.362 1.108 1.00 0.00 C ATOM 1557 C ILE A 101 -5.312 2.210 1.216 1.00 0.00 C ATOM 1558 O ILE A 101 -5.305 3.382 0.839 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.207 1.223 2.506 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.553 0.501 2.411 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.378 2.591 3.149 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.022 -0.078 3.728 1.00 0.00 C ATOM 0 H ILE A 101 -6.187 -0.695 1.201 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.285 1.855 0.444 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.541 0.630 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.305 1.198 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.475 -0.302 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.826 2.476 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.405 3.072 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.026 3.207 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.982 -0.575 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.290 -0.800 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.133 0.723 4.459 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.246 1.609 1.732 1.00 0.00 N ATOM 1575 CA CYS A 102 -2.975 2.308 1.888 1.00 0.00 C ATOM 1576 C CYS A 102 -2.384 2.673 0.530 1.00 0.00 C ATOM 1577 O CYS A 102 -1.957 3.807 0.311 1.00 0.00 O ATOM 1578 CB CYS A 102 -1.987 1.443 2.672 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.404 2.251 3.009 1.00 0.00 S ATOM 0 H CYS A 102 -4.236 0.640 2.049 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.160 3.228 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.444 1.155 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.803 0.525 2.114 1.00 0.00 H new ATOM 0 HG CYS A 102 0.363 1.442 3.678 1.00 0.00 H new ATOM 1585 N THR A 103 -2.361 1.704 -0.379 1.00 0.00 N ATOM 1586 CA THR A 103 -1.820 1.922 -1.715 1.00 0.00 C ATOM 1587 C THR A 103 -2.424 3.166 -2.356 1.00 0.00 C ATOM 1588 O THR A 103 -1.716 3.962 -2.973 1.00 0.00 O ATOM 1589 CB THR A 103 -2.079 0.710 -2.630 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.144 0.707 -3.715 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.498 0.739 -3.178 1.00 0.00 C ATOM 0 H THR A 103 -2.711 0.760 -0.215 1.00 0.00 H new ATOM 0 HA THR A 103 -0.745 2.060 -1.602 1.00 0.00 H new ATOM 0 HB THR A 103 -1.953 -0.197 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.317 1.151 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.657 -0.126 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.208 0.712 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.647 1.652 -3.755 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.734 3.328 -2.205 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.431 4.477 -2.770 1.00 0.00 C ATOM 1601 C GLN A 104 -4.241 5.713 -1.897 1.00 0.00 C ATOM 1602 O GLN A 104 -3.779 6.753 -2.367 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.922 4.171 -2.923 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.220 3.099 -3.959 1.00 0.00 C ATOM 1605 CD GLN A 104 -7.656 2.617 -3.904 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.588 3.417 -3.813 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -7.843 1.304 -3.959 1.00 0.00 N ATOM 0 H GLN A 104 -4.334 2.679 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.006 4.680 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.320 3.854 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.446 5.086 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.011 3.492 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.551 2.253 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.042 0.677 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.788 0.922 -3.926 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.600 5.592 -0.623 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.468 6.700 0.317 1.00 0.00 C ATOM 1618 C HIS A 105 -3.151 7.440 0.104 1.00 0.00 C ATOM 1619 O HIS A 105 -3.049 8.637 0.371 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.553 6.189 1.756 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.010 7.226 2.734 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.225 7.871 2.635 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.409 7.729 3.837 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.350 8.727 3.633 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.261 8.660 4.378 1.00 0.00 N ATOM 0 H HIS A 105 -4.984 4.739 -0.218 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.288 7.396 0.138 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.237 5.341 1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.573 5.821 2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.439 7.450 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.198 9.372 3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.082 9.210 5.218 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.144 6.718 -0.378 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.833 7.306 -0.627 1.00 0.00 C ATOM 1636 C HIS A 106 -0.728 7.813 -2.062 1.00 0.00 C ATOM 1637 O HIS A 106 -0.580 9.012 -2.300 1.00 0.00 O ATOM 1638 CB HIS A 106 0.269 6.282 -0.353 1.00 0.00 C ATOM 1639 CG HIS A 106 0.650 6.183 1.092 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.895 6.536 1.568 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.059 5.771 2.168 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.936 6.343 2.874 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.762 5.879 3.263 1.00 0.00 N ATOM 0 H HIS A 106 -2.211 5.726 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.708 8.152 0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.061 5.303 -0.701 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.152 6.546 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.081 5.422 2.166 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.785 6.532 3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.507 5.640 4.221 1.00 0.00 H new ATOM 1652 N THR A 107 -0.804 6.891 -3.017 1.00 0.00 N ATOM 1653 CA THR A 107 -0.716 7.243 -4.428 1.00 0.00 C ATOM 1654 C THR A 107 -1.485 8.526 -4.724 1.00 0.00 C ATOM 1655 O THR A 107 -1.130 9.277 -5.631 1.00 0.00 O ATOM 1656 CB THR A 107 -1.259 6.114 -5.324 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.651 6.181 -6.619 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.771 6.213 -5.463 1.00 0.00 C ATOM 0 H THR A 107 -0.926 5.894 -2.838 1.00 0.00 H new ATOM 0 HA THR A 107 0.340 7.396 -4.650 1.00 0.00 H new ATOM 0 HB THR A 107 -1.014 5.160 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.536 7.119 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.131 5.405 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.233 6.133 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.033 7.172 -5.910 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.539 8.770 -3.952 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.358 9.962 -4.132 1.00 0.00 C ATOM 1668 C GLU A 108 -2.535 11.227 -3.904 1.00 0.00 C ATOM 1669 O GLU A 108 -2.394 12.059 -4.800 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.552 9.938 -3.176 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.760 10.704 -3.690 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.666 11.183 -2.573 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -6.145 11.511 -1.486 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -7.896 11.229 -2.784 1.00 0.00 O ATOM 0 H GLU A 108 -2.846 8.158 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.725 9.967 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.840 8.903 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.247 10.358 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.421 11.562 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.329 10.066 -4.366 1.00 0.00 H new ATOM 1681 N ALA A 109 -1.995 11.364 -2.697 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.185 12.525 -2.351 1.00 0.00 C ATOM 1683 C ALA A 109 -0.331 12.972 -3.533 1.00 0.00 C ATOM 1684 O ALA A 109 -0.153 14.168 -3.765 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.305 12.215 -1.149 1.00 0.00 C ATOM 0 H ALA A 109 -2.104 10.686 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.858 13.343 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.295 13.091 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.932 11.952 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.354 11.380 -1.386 1.00 0.00 H new