USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 91 SER OG : rot 180:sc= 0.49 USER MOD Set 1.2: A 93 THR OG1 : rot 4:sc= 0.413 USER MOD Set 1.3: A 94 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 CYS SG : rot -103:sc= 0.146 USER MOD Set 2.2: A 50 HIS : no HE2:sc= -1.14 X(o=-1,f=-0.6) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Set 3.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 15 TYR OH : rot 49:sc= 0.983 USER MOD Set 4.2: A 17 ASN : amide:sc= 0 K(o=0.98,f=0.45) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -107:sc= 0.969 (180deg=-0.0329) USER MOD Single : A 28 HIS : no HE2:sc=-0.00778 X(o=-0.0078,f=-0.24) USER MOD Single : A 34 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= 0.0197 (180deg=-0.179) USER MOD Single : A 40 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.19) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= -0.137 (180deg=-0.299) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -16:sc= 0.248 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00499 X(o=-0.005,f=-0.005) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0217 (180deg=-0.237) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0459 (180deg=-0.228) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0.028) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 0.376 (180deg=0.157) USER MOD Single : A 71 SER OG : rot 180:sc= -0.613 USER MOD Single : A 78 SER OG : rot -94:sc= 0.649 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -2.072 -14.066 3.807 1.00 0.00 N ATOM 84 CA LYS A 7 -3.318 -13.935 3.037 1.00 0.00 C ATOM 85 C LYS A 7 -4.478 -14.642 3.772 1.00 0.00 C ATOM 86 O LYS A 7 -5.502 -14.971 3.164 1.00 0.00 O ATOM 87 CB LYS A 7 -3.074 -14.526 1.619 1.00 0.00 C ATOM 88 CG LYS A 7 -1.928 -13.832 0.837 1.00 0.00 C ATOM 89 CD LYS A 7 -1.575 -14.538 -0.494 1.00 0.00 C ATOM 90 CE LYS A 7 -2.736 -14.548 -1.506 1.00 0.00 C ATOM 91 NZ LYS A 7 -2.371 -15.241 -2.768 1.00 0.00 N ATOM 0 HA LYS A 7 -3.604 -12.888 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.845 -15.588 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.994 -14.448 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.214 -12.801 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.039 -13.795 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.715 -14.042 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.276 -15.565 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.601 -15.039 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.031 -13.523 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.181 -15.224 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.562 -14.758 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.114 -16.227 -2.561 1.00 0.00 H new ATOM 105 N ILE A 8 -4.316 -14.827 5.102 1.00 0.00 N ATOM 106 CA ILE A 8 -5.306 -15.527 5.949 1.00 0.00 C ATOM 107 C ILE A 8 -6.599 -14.698 6.052 1.00 0.00 C ATOM 108 O ILE A 8 -7.700 -15.193 5.790 1.00 0.00 O ATOM 109 CB ILE A 8 -4.748 -15.768 7.408 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.403 -16.559 7.379 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.795 -16.489 8.303 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.748 -16.765 8.743 1.00 0.00 C ATOM 0 H ILE A 8 -3.499 -14.497 5.615 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.510 -16.490 5.481 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.551 -14.789 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.582 -17.535 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.702 -16.032 6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.380 -16.640 9.299 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.695 -15.879 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.045 -17.455 7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.820 -17.324 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.531 -15.796 9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.424 -17.322 9.391 1.00 0.00 H new ATOM 124 N PHE A 9 -6.434 -13.411 6.390 1.00 0.00 N ATOM 125 CA PHE A 9 -7.559 -12.492 6.629 1.00 0.00 C ATOM 126 C PHE A 9 -7.589 -11.366 5.571 1.00 0.00 C ATOM 127 O PHE A 9 -8.276 -10.361 5.770 1.00 0.00 O ATOM 128 CB PHE A 9 -7.466 -11.874 8.057 1.00 0.00 C ATOM 129 CG PHE A 9 -7.315 -12.852 9.222 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.387 -13.633 9.659 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.102 -12.970 9.902 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.243 -14.496 10.734 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.965 -13.826 10.976 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.033 -14.590 11.390 1.00 0.00 C ATOM 0 H PHE A 9 -5.518 -12.977 6.506 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.482 -13.067 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.618 -11.189 8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.362 -11.277 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.339 -13.564 9.154 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.255 -12.381 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.080 -15.096 11.059 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.019 -13.897 11.492 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.924 -15.263 12.228 1.00 0.00 H new ATOM 144 N LYS A 10 -6.865 -11.539 4.441 1.00 0.00 N ATOM 145 CA LYS A 10 -6.701 -10.462 3.426 1.00 0.00 C ATOM 146 C LYS A 10 -8.062 -10.055 2.801 1.00 0.00 C ATOM 147 O LYS A 10 -8.309 -8.872 2.529 1.00 0.00 O ATOM 148 CB LYS A 10 -5.695 -10.877 2.309 1.00 0.00 C ATOM 149 CG LYS A 10 -5.264 -9.708 1.380 1.00 0.00 C ATOM 150 CD LYS A 10 -4.456 -8.618 2.131 1.00 0.00 C ATOM 151 CE LYS A 10 -4.281 -7.316 1.326 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.573 -7.520 0.032 1.00 0.00 N ATOM 0 H LYS A 10 -6.386 -12.408 4.206 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.294 -9.596 3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.807 -11.304 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.145 -11.663 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.662 -10.102 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.151 -9.256 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.957 -8.389 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.472 -9.015 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.262 -6.881 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.726 -6.596 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.486 -6.610 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.625 -7.908 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.113 -8.185 -0.558 1.00 0.00 H new ATOM 166 N ASN A 11 -8.945 -11.048 2.606 1.00 0.00 N ATOM 167 CA ASN A 11 -10.317 -10.838 2.083 1.00 0.00 C ATOM 168 C ASN A 11 -11.352 -10.808 3.229 1.00 0.00 C ATOM 169 O ASN A 11 -12.559 -10.757 2.980 1.00 0.00 O ATOM 170 CB ASN A 11 -10.680 -11.955 1.062 1.00 0.00 C ATOM 171 CG ASN A 11 -9.794 -11.942 -0.186 1.00 0.00 C ATOM 172 OD1 ASN A 11 -10.087 -11.253 -1.169 1.00 0.00 O ATOM 173 ND2 ASN A 11 -8.707 -12.706 -0.160 1.00 0.00 N ATOM 0 H ASN A 11 -8.732 -12.025 2.806 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.342 -9.872 1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.595 -12.926 1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.721 -11.839 0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.085 -12.736 -0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.495 -13.263 0.668 1.00 0.00 H new ATOM 180 N CYS A 12 -10.870 -10.795 4.478 1.00 0.00 N ATOM 181 CA CYS A 12 -11.715 -10.887 5.677 1.00 0.00 C ATOM 182 C CYS A 12 -11.600 -9.608 6.540 1.00 0.00 C ATOM 183 O CYS A 12 -10.526 -9.282 7.062 1.00 0.00 O ATOM 184 CB CYS A 12 -11.318 -12.141 6.494 1.00 0.00 C ATOM 185 SG CYS A 12 -11.465 -13.695 5.577 1.00 0.00 S ATOM 0 H CYS A 12 -9.875 -10.720 4.687 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.756 -10.978 5.367 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.289 -12.029 6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.945 -12.196 7.384 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.543 -14.318 5.950 1.00 0.00 H new ATOM 191 N VAL A 13 -12.714 -8.867 6.633 1.00 0.00 N ATOM 192 CA VAL A 13 -12.902 -7.780 7.610 1.00 0.00 C ATOM 193 C VAL A 13 -13.482 -8.388 8.904 1.00 0.00 C ATOM 194 O VAL A 13 -14.486 -9.115 8.840 1.00 0.00 O ATOM 195 CB VAL A 13 -13.890 -6.683 7.054 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.040 -5.500 8.039 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.452 -6.183 5.659 1.00 0.00 C ATOM 0 H VAL A 13 -13.521 -9.006 6.025 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.942 -7.301 7.804 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.867 -7.155 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.728 -4.764 7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.431 -5.865 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.067 -5.036 8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.155 -5.428 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.455 -5.748 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.437 -7.020 4.961 1.00 0.00 H new ATOM 207 N ILE A 14 -12.836 -8.128 10.060 1.00 0.00 N ATOM 208 CA ILE A 14 -13.269 -8.671 11.371 1.00 0.00 C ATOM 209 C ILE A 14 -13.729 -7.538 12.331 1.00 0.00 C ATOM 210 O ILE A 14 -13.035 -6.542 12.512 1.00 0.00 O ATOM 211 CB ILE A 14 -12.141 -9.541 12.077 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.848 -10.895 11.324 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.498 -9.827 13.559 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.030 -10.783 10.054 1.00 0.00 C ATOM 0 H ILE A 14 -12.004 -7.540 10.114 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.113 -9.326 11.158 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.231 -8.942 12.036 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.329 -11.564 12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.800 -11.366 11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.708 -10.424 14.015 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.598 -8.885 14.098 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.440 -10.374 13.607 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.891 -11.774 9.622 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.552 -10.146 9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.058 -10.348 10.285 1.00 0.00 H new ATOM 226 N TYR A 15 -14.906 -7.730 12.948 1.00 0.00 N ATOM 227 CA TYR A 15 -15.415 -6.904 14.053 1.00 0.00 C ATOM 228 C TYR A 15 -15.491 -7.768 15.315 1.00 0.00 C ATOM 229 O TYR A 15 -16.276 -8.698 15.368 1.00 0.00 O ATOM 230 CB TYR A 15 -16.813 -6.325 13.700 1.00 0.00 C ATOM 231 CG TYR A 15 -17.587 -5.714 14.885 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.027 -4.705 15.670 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.868 -6.165 15.224 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.715 -4.172 16.741 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.556 -5.634 16.297 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.973 -4.640 17.054 1.00 0.00 C ATOM 237 OH TYR A 15 -19.649 -4.106 18.129 1.00 0.00 O ATOM 0 H TYR A 15 -15.544 -8.481 12.686 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.742 -6.064 14.225 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.689 -5.560 12.934 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.418 -7.119 13.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.040 -4.335 15.436 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.328 -6.944 14.634 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.268 -3.388 17.334 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.544 -5.995 16.542 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.631 -3.128 18.073 1.00 0.00 H new ATOM 247 N ILE A 16 -14.680 -7.450 16.326 1.00 0.00 N ATOM 248 CA ILE A 16 -14.708 -8.159 17.612 1.00 0.00 C ATOM 249 C ILE A 16 -15.737 -7.478 18.532 1.00 0.00 C ATOM 250 O ILE A 16 -15.802 -6.245 18.589 1.00 0.00 O ATOM 251 CB ILE A 16 -13.283 -8.202 18.265 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.236 -8.735 17.227 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.289 -9.075 19.546 1.00 0.00 C ATOM 254 CD1 ILE A 16 -10.788 -8.714 17.689 1.00 0.00 C ATOM 0 H ILE A 16 -13.990 -6.700 16.280 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.007 -9.195 17.452 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.000 -7.190 18.556 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.500 -9.759 16.964 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.318 -8.141 16.317 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.290 -9.090 19.981 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.993 -8.658 20.267 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.589 -10.092 19.292 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.148 -9.103 16.897 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.495 -7.690 17.923 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.681 -9.334 18.579 1.00 0.00 H new ATOM 266 N ASN A 17 -16.526 -8.292 19.248 1.00 0.00 N ATOM 267 CA ASN A 17 -17.735 -7.847 19.957 1.00 0.00 C ATOM 268 C ASN A 17 -17.861 -8.605 21.292 1.00 0.00 C ATOM 269 O ASN A 17 -17.547 -9.800 21.364 1.00 0.00 O ATOM 270 CB ASN A 17 -18.976 -8.094 19.053 1.00 0.00 C ATOM 271 CG ASN A 17 -20.277 -7.487 19.588 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.271 -6.461 20.273 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.402 -8.108 19.265 1.00 0.00 N ATOM 0 H ASN A 17 -16.341 -9.290 19.352 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.671 -6.781 20.177 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -18.777 -7.683 18.063 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.114 -9.168 18.930 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.298 -7.739 19.584 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.372 -8.955 18.697 1.00 0.00 H new ATOM 280 N GLY A 18 -18.339 -7.898 22.333 1.00 0.00 N ATOM 281 CA GLY A 18 -18.408 -8.438 23.698 1.00 0.00 C ATOM 282 C GLY A 18 -17.017 -8.648 24.302 1.00 0.00 C ATOM 283 O GLY A 18 -16.137 -7.793 24.144 1.00 0.00 O ATOM 0 H GLY A 18 -18.686 -6.942 22.250 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.978 -7.757 24.329 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.945 -9.386 23.686 1.00 0.00 H new ATOM 287 N TYR A 19 -16.820 -9.782 24.995 1.00 0.00 N ATOM 288 CA TYR A 19 -15.499 -10.214 25.485 1.00 0.00 C ATOM 289 C TYR A 19 -15.044 -11.448 24.683 1.00 0.00 C ATOM 290 O TYR A 19 -15.876 -12.264 24.275 1.00 0.00 O ATOM 291 CB TYR A 19 -15.556 -10.547 26.995 1.00 0.00 C ATOM 292 CG TYR A 19 -15.825 -9.342 27.913 1.00 0.00 C ATOM 293 CD1 TYR A 19 -17.125 -8.928 28.219 1.00 0.00 C ATOM 294 CD2 TYR A 19 -14.767 -8.632 28.494 1.00 0.00 C ATOM 295 CE1 TYR A 19 -17.352 -7.853 29.063 1.00 0.00 C ATOM 296 CE2 TYR A 19 -14.995 -7.561 29.331 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.284 -7.177 29.616 1.00 0.00 C ATOM 298 OH TYR A 19 -16.510 -6.107 30.458 1.00 0.00 O ATOM 0 H TYR A 19 -17.574 -10.427 25.232 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.784 -9.403 25.347 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.335 -11.292 27.159 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.611 -11.005 27.287 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.965 -9.454 27.791 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -13.751 -8.930 28.282 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.363 -7.545 29.287 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -14.163 -7.024 29.762 1.00 0.00 H new ATOM 0 HH TYR A 19 -15.652 -5.743 30.762 1.00 0.00 H new ATOM 308 N THR A 20 -13.729 -11.546 24.445 1.00 0.00 N ATOM 309 CA THR A 20 -13.086 -12.663 23.732 1.00 0.00 C ATOM 310 C THR A 20 -11.733 -12.965 24.408 1.00 0.00 C ATOM 311 O THR A 20 -11.043 -12.026 24.837 1.00 0.00 O ATOM 312 CB THR A 20 -12.830 -12.305 22.230 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.109 -11.059 22.139 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.134 -12.200 21.416 1.00 0.00 C ATOM 0 H THR A 20 -13.065 -10.834 24.750 1.00 0.00 H new ATOM 0 HA THR A 20 -13.747 -13.529 23.773 1.00 0.00 H new ATOM 0 HB THR A 20 -12.241 -13.117 21.805 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.734 -10.334 21.931 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.898 -11.950 20.382 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.660 -13.154 21.448 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.767 -11.422 21.842 1.00 0.00 H new ATOM 322 N LYS A 21 -11.359 -14.257 24.544 1.00 0.00 N ATOM 323 CA LYS A 21 -10.004 -14.644 25.011 1.00 0.00 C ATOM 324 C LYS A 21 -9.194 -15.265 23.849 1.00 0.00 C ATOM 325 O LYS A 21 -9.660 -16.211 23.215 1.00 0.00 O ATOM 326 CB LYS A 21 -10.017 -15.601 26.225 1.00 0.00 C ATOM 327 CG LYS A 21 -10.704 -15.058 27.517 1.00 0.00 C ATOM 328 CD LYS A 21 -9.809 -14.138 28.410 1.00 0.00 C ATOM 329 CE LYS A 21 -9.516 -12.742 27.829 1.00 0.00 C ATOM 330 NZ LYS A 21 -10.745 -11.914 27.689 1.00 0.00 N ATOM 0 H LYS A 21 -11.971 -15.047 24.339 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.524 -13.726 25.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.519 -16.523 25.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.987 -15.862 26.468 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.596 -14.501 27.229 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.037 -15.906 28.116 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.294 -14.016 29.378 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.861 -14.645 28.590 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.805 -12.225 28.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.041 -12.850 26.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.001 -11.840 26.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.525 -12.359 28.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.569 -10.963 28.072 1.00 0.00 H new ATOM 344 N PRO A 22 -7.958 -14.743 23.552 1.00 0.00 N ATOM 345 CA PRO A 22 -7.305 -13.641 24.314 1.00 0.00 C ATOM 346 C PRO A 22 -7.919 -12.259 23.980 1.00 0.00 C ATOM 347 O PRO A 22 -8.778 -12.168 23.091 1.00 0.00 O ATOM 348 CB PRO A 22 -5.845 -13.747 23.853 1.00 0.00 C ATOM 349 CG PRO A 22 -5.972 -14.144 22.417 1.00 0.00 C ATOM 350 CD PRO A 22 -7.099 -15.167 22.408 1.00 0.00 C ATOM 0 HA PRO A 22 -7.428 -13.729 25.393 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.317 -12.800 23.964 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.293 -14.489 24.429 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.208 -13.287 21.787 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.043 -14.572 22.039 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.648 -15.153 21.466 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.723 -16.181 22.542 1.00 0.00 H new ATOM 358 N GLY A 23 -7.474 -11.212 24.709 1.00 0.00 N ATOM 359 CA GLY A 23 -8.042 -9.858 24.606 1.00 0.00 C ATOM 360 C GLY A 23 -8.225 -9.367 23.174 1.00 0.00 C ATOM 361 O GLY A 23 -7.392 -9.672 22.315 1.00 0.00 O ATOM 0 H GLY A 23 -6.712 -11.286 25.383 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.008 -9.841 25.111 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.393 -9.162 25.137 1.00 0.00 H new ATOM 365 N ARG A 24 -9.312 -8.599 22.934 1.00 0.00 N ATOM 366 CA ARG A 24 -9.717 -8.173 21.581 1.00 0.00 C ATOM 367 C ARG A 24 -8.588 -7.438 20.843 1.00 0.00 C ATOM 368 O ARG A 24 -8.445 -7.597 19.637 1.00 0.00 O ATOM 369 CB ARG A 24 -11.004 -7.304 21.611 1.00 0.00 C ATOM 370 CG ARG A 24 -10.894 -5.958 22.367 1.00 0.00 C ATOM 371 CD ARG A 24 -12.085 -5.016 22.082 1.00 0.00 C ATOM 372 NE ARG A 24 -13.395 -5.654 22.328 1.00 0.00 N ATOM 373 CZ ARG A 24 -14.525 -5.386 21.645 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.520 -4.534 20.626 1.00 0.00 N ATOM 375 NH2 ARG A 24 -15.660 -5.975 21.979 1.00 0.00 N ATOM 0 H ARG A 24 -9.929 -8.260 23.672 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.937 -9.085 21.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.304 -7.098 20.584 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.804 -7.889 22.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.837 -6.151 23.438 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.967 -5.461 22.083 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.996 -4.127 22.707 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.038 -4.683 21.045 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.448 -6.350 23.071 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.653 -4.073 20.351 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.383 -4.341 20.118 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.683 -6.635 22.756 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.513 -5.769 21.459 1.00 0.00 H new ATOM 389 N LEU A 25 -7.796 -6.642 21.585 1.00 0.00 N ATOM 390 CA LEU A 25 -6.666 -5.880 21.019 1.00 0.00 C ATOM 391 C LEU A 25 -5.525 -6.809 20.546 1.00 0.00 C ATOM 392 O LEU A 25 -4.848 -6.494 19.563 1.00 0.00 O ATOM 393 CB LEU A 25 -6.184 -4.776 22.019 1.00 0.00 C ATOM 394 CG LEU A 25 -5.801 -5.216 23.484 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.363 -5.768 23.588 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.022 -4.062 24.495 1.00 0.00 C ATOM 0 H LEU A 25 -7.920 -6.509 22.589 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.016 -5.365 20.124 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.315 -4.285 21.580 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.971 -4.025 22.091 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.472 -6.035 23.742 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.157 -6.054 24.619 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.260 -6.640 22.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.655 -5.000 23.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.749 -4.397 25.495 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.402 -3.210 24.216 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.071 -3.766 24.485 1.00 0.00 H new ATOM 408 N GLN A 26 -5.331 -7.966 21.229 1.00 0.00 N ATOM 409 CA GLN A 26 -4.331 -8.980 20.804 1.00 0.00 C ATOM 410 C GLN A 26 -4.783 -9.629 19.486 1.00 0.00 C ATOM 411 O GLN A 26 -4.022 -9.655 18.520 1.00 0.00 O ATOM 412 CB GLN A 26 -4.105 -10.079 21.883 1.00 0.00 C ATOM 413 CG GLN A 26 -3.062 -11.157 21.468 1.00 0.00 C ATOM 414 CD GLN A 26 -2.778 -12.250 22.511 1.00 0.00 C ATOM 415 OE1 GLN A 26 -2.466 -13.390 22.157 1.00 0.00 O ATOM 416 NE2 GLN A 26 -2.866 -11.923 23.793 1.00 0.00 N ATOM 0 H GLN A 26 -5.849 -8.219 22.070 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.381 -8.464 20.663 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.777 -9.605 22.808 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.056 -10.568 22.095 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.408 -11.636 20.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.124 -10.655 21.231 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.126 -10.974 24.060 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.674 -12.621 24.512 1.00 0.00 H new ATOM 425 N LEU A 27 -6.044 -10.120 19.466 1.00 0.00 N ATOM 426 CA LEU A 27 -6.676 -10.711 18.261 1.00 0.00 C ATOM 427 C LEU A 27 -6.637 -9.727 17.079 1.00 0.00 C ATOM 428 O LEU A 27 -6.369 -10.116 15.951 1.00 0.00 O ATOM 429 CB LEU A 27 -8.147 -11.092 18.558 1.00 0.00 C ATOM 430 CG LEU A 27 -8.376 -12.237 19.589 1.00 0.00 C ATOM 431 CD1 LEU A 27 -9.868 -12.351 19.960 1.00 0.00 C ATOM 432 CD2 LEU A 27 -7.831 -13.581 19.053 1.00 0.00 C ATOM 0 H LEU A 27 -6.653 -10.118 20.284 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.113 -11.605 17.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.664 -10.202 18.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.621 -11.379 17.619 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.823 -11.991 20.496 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.003 -13.157 20.681 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.207 -11.412 20.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.450 -12.565 19.064 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.003 -14.364 19.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.343 -13.838 18.126 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.762 -13.490 18.863 1.00 0.00 H new ATOM 444 N HIS A 28 -6.870 -8.447 17.395 1.00 0.00 N ATOM 445 CA HIS A 28 -6.922 -7.336 16.419 1.00 0.00 C ATOM 446 C HIS A 28 -5.574 -7.234 15.684 1.00 0.00 C ATOM 447 O HIS A 28 -5.529 -7.182 14.456 1.00 0.00 O ATOM 448 CB HIS A 28 -7.260 -6.011 17.177 1.00 0.00 C ATOM 449 CG HIS A 28 -8.178 -5.064 16.454 1.00 0.00 C ATOM 450 ND1 HIS A 28 -7.908 -3.726 16.293 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.409 -5.260 15.923 1.00 0.00 C ATOM 452 CE1 HIS A 28 -8.924 -3.139 15.702 1.00 0.00 C ATOM 453 NE2 HIS A 28 -9.853 -4.045 15.467 1.00 0.00 N ATOM 0 H HIS A 28 -7.032 -8.142 18.355 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.698 -7.518 15.675 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.713 -6.267 18.135 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.328 -5.490 17.394 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -7.050 -3.260 16.587 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.941 -6.198 15.869 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.988 -2.091 15.451 1.00 0.00 H new ATOM 462 N GLU A 29 -4.483 -7.263 16.474 1.00 0.00 N ATOM 463 CA GLU A 29 -3.105 -7.249 15.957 1.00 0.00 C ATOM 464 C GLU A 29 -2.796 -8.539 15.170 1.00 0.00 C ATOM 465 O GLU A 29 -2.147 -8.484 14.138 1.00 0.00 O ATOM 466 CB GLU A 29 -2.089 -7.076 17.115 1.00 0.00 C ATOM 467 CG GLU A 29 -2.198 -5.742 17.883 1.00 0.00 C ATOM 468 CD GLU A 29 -1.934 -4.492 17.016 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.822 -4.376 16.448 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.815 -3.610 16.924 1.00 0.00 O ATOM 0 H GLU A 29 -4.535 -7.297 17.492 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.012 -6.401 15.278 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.222 -7.896 17.821 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.081 -7.164 16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.195 -5.666 18.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.489 -5.753 18.711 1.00 0.00 H new ATOM 477 N MET A 30 -3.280 -9.695 15.661 1.00 0.00 N ATOM 478 CA MET A 30 -3.079 -11.007 14.986 1.00 0.00 C ATOM 479 C MET A 30 -3.705 -11.005 13.579 1.00 0.00 C ATOM 480 O MET A 30 -3.208 -11.657 12.667 1.00 0.00 O ATOM 481 CB MET A 30 -3.672 -12.163 15.829 1.00 0.00 C ATOM 482 CG MET A 30 -2.995 -12.370 17.189 1.00 0.00 C ATOM 483 SD MET A 30 -1.234 -12.756 17.045 1.00 0.00 S ATOM 484 CE MET A 30 -0.722 -12.810 18.768 1.00 0.00 C ATOM 0 H MET A 30 -3.817 -9.755 16.526 1.00 0.00 H new ATOM 0 HA MET A 30 -2.005 -11.165 14.888 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.733 -11.971 15.991 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.599 -13.088 15.257 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.117 -11.469 17.791 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.497 -13.179 17.720 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.342 -13.039 18.824 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.911 -11.843 19.234 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.287 -13.581 19.291 1.00 0.00 H new ATOM 494 N ILE A 31 -4.811 -10.273 13.438 1.00 0.00 N ATOM 495 CA ILE A 31 -5.509 -10.098 12.153 1.00 0.00 C ATOM 496 C ILE A 31 -4.707 -9.180 11.209 1.00 0.00 C ATOM 497 O ILE A 31 -4.385 -9.576 10.090 1.00 0.00 O ATOM 498 CB ILE A 31 -6.960 -9.543 12.417 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.793 -10.599 13.222 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.688 -9.140 11.108 1.00 0.00 C ATOM 501 CD1 ILE A 31 -8.999 -10.036 13.950 1.00 0.00 C ATOM 0 H ILE A 31 -5.254 -9.780 14.213 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.594 -11.064 11.655 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.865 -8.633 13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.130 -11.375 12.535 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.139 -11.079 13.949 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.683 -8.764 11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.118 -8.362 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.775 -10.010 10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.513 -10.839 14.478 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.672 -9.282 14.666 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.680 -9.582 13.230 1.00 0.00 H new ATOM 513 N VAL A 32 -4.325 -7.997 11.709 1.00 0.00 N ATOM 514 CA VAL A 32 -3.651 -6.945 10.906 1.00 0.00 C ATOM 515 C VAL A 32 -2.259 -7.400 10.417 1.00 0.00 C ATOM 516 O VAL A 32 -1.924 -7.263 9.236 1.00 0.00 O ATOM 517 CB VAL A 32 -3.526 -5.615 11.730 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.730 -4.538 10.958 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.921 -5.084 12.121 1.00 0.00 C ATOM 0 H VAL A 32 -4.471 -7.733 12.683 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.270 -6.762 10.027 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.972 -5.844 12.641 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.665 -3.632 11.561 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.726 -4.908 10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.237 -4.314 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.812 -4.162 12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.501 -4.887 11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.436 -5.828 12.729 1.00 0.00 H new ATOM 529 N LEU A 33 -1.476 -7.960 11.344 1.00 0.00 N ATOM 530 CA LEU A 33 -0.126 -8.504 11.070 1.00 0.00 C ATOM 531 C LEU A 33 -0.177 -9.688 10.075 1.00 0.00 C ATOM 532 O LEU A 33 0.846 -10.056 9.507 1.00 0.00 O ATOM 533 CB LEU A 33 0.571 -8.920 12.411 1.00 0.00 C ATOM 534 CG LEU A 33 1.324 -7.794 13.203 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.532 -7.274 12.404 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.386 -6.635 13.615 1.00 0.00 C ATOM 0 H LEU A 33 -1.758 -8.053 12.320 1.00 0.00 H new ATOM 0 HA LEU A 33 0.466 -7.719 10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.187 -9.347 13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.285 -9.713 12.190 1.00 0.00 H new ATOM 0 HG LEU A 33 1.691 -8.244 14.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.037 -6.494 12.974 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.225 -8.094 12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.190 -6.865 11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.956 -5.882 14.160 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.050 -6.185 12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.410 -7.020 14.253 1.00 0.00 H new ATOM 548 N HIS A 34 -1.372 -10.272 9.876 1.00 0.00 N ATOM 549 CA HIS A 34 -1.603 -11.370 8.914 1.00 0.00 C ATOM 550 C HIS A 34 -2.444 -10.890 7.707 1.00 0.00 C ATOM 551 O HIS A 34 -3.186 -11.672 7.095 1.00 0.00 O ATOM 552 CB HIS A 34 -2.224 -12.581 9.657 1.00 0.00 C ATOM 553 CG HIS A 34 -1.251 -13.196 10.631 1.00 0.00 C ATOM 554 ND1 HIS A 34 -0.783 -12.513 11.738 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.589 -14.374 10.619 1.00 0.00 C ATOM 556 CE1 HIS A 34 0.124 -13.235 12.355 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.261 -14.370 11.700 1.00 0.00 N ATOM 0 H HIS A 34 -2.213 -9.994 10.382 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.653 -11.698 8.492 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.119 -12.261 10.190 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.536 -13.332 8.931 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.095 -11.587 12.031 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.705 -15.169 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.664 -12.948 13.245 1.00 0.00 H new ATOM 566 N GLY A 35 -2.320 -9.578 7.398 1.00 0.00 N ATOM 567 CA GLY A 35 -2.872 -8.978 6.165 1.00 0.00 C ATOM 568 C GLY A 35 -4.335 -8.606 6.257 1.00 0.00 C ATOM 569 O GLY A 35 -4.930 -8.153 5.276 1.00 0.00 O ATOM 0 H GLY A 35 -1.835 -8.909 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.297 -8.085 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.738 -9.680 5.342 1.00 0.00 H new ATOM 573 N GLY A 36 -4.894 -8.749 7.450 1.00 0.00 N ATOM 574 CA GLY A 36 -6.325 -8.654 7.655 1.00 0.00 C ATOM 575 C GLY A 36 -6.846 -7.261 7.885 1.00 0.00 C ATOM 576 O GLY A 36 -6.094 -6.347 8.259 1.00 0.00 O ATOM 0 H GLY A 36 -4.364 -8.934 8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.830 -9.075 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.596 -9.272 8.511 1.00 0.00 H new ATOM 580 N LYS A 37 -8.161 -7.115 7.668 1.00 0.00 N ATOM 581 CA LYS A 37 -8.889 -5.875 7.921 1.00 0.00 C ATOM 582 C LYS A 37 -9.727 -6.027 9.190 1.00 0.00 C ATOM 583 O LYS A 37 -10.011 -7.145 9.647 1.00 0.00 O ATOM 584 CB LYS A 37 -9.821 -5.516 6.733 1.00 0.00 C ATOM 585 CG LYS A 37 -9.141 -5.483 5.351 1.00 0.00 C ATOM 586 CD LYS A 37 -10.046 -4.835 4.282 1.00 0.00 C ATOM 587 CE LYS A 37 -9.464 -4.941 2.872 1.00 0.00 C ATOM 588 NZ LYS A 37 -9.386 -6.353 2.416 1.00 0.00 N ATOM 0 H LYS A 37 -8.750 -7.866 7.308 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.162 -5.072 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.637 -6.238 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.267 -4.540 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.205 -4.928 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.888 -6.498 5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.025 -5.313 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.199 -3.784 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.081 -4.368 2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.469 -4.497 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.199 -6.378 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.617 -6.839 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.287 -6.832 2.615 1.00 0.00 H new ATOM 602 N PHE A 38 -10.130 -4.886 9.729 1.00 0.00 N ATOM 603 CA PHE A 38 -11.041 -4.804 10.867 1.00 0.00 C ATOM 604 C PHE A 38 -12.086 -3.719 10.607 1.00 0.00 C ATOM 605 O PHE A 38 -11.920 -2.884 9.707 1.00 0.00 O ATOM 606 CB PHE A 38 -10.260 -4.530 12.181 1.00 0.00 C ATOM 607 CG PHE A 38 -9.377 -3.282 12.148 1.00 0.00 C ATOM 608 CD1 PHE A 38 -9.891 -2.016 12.457 1.00 0.00 C ATOM 609 CD2 PHE A 38 -8.036 -3.371 11.790 1.00 0.00 C ATOM 610 CE1 PHE A 38 -9.084 -0.892 12.416 1.00 0.00 C ATOM 611 CE2 PHE A 38 -7.235 -2.249 11.745 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.758 -1.011 12.055 1.00 0.00 C ATOM 0 H PHE A 38 -9.830 -3.974 9.384 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.551 -5.760 10.986 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.974 -4.432 12.999 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.636 -5.395 12.404 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.931 -1.916 12.731 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.615 -4.334 11.543 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.492 0.076 12.666 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.196 -2.340 11.466 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.129 -0.134 12.015 1.00 0.00 H new ATOM 622 N LEU A 39 -13.152 -3.747 11.404 1.00 0.00 N ATOM 623 CA LEU A 39 -14.183 -2.705 11.407 1.00 0.00 C ATOM 624 C LEU A 39 -14.518 -2.407 12.877 1.00 0.00 C ATOM 625 O LEU A 39 -14.762 -3.336 13.657 1.00 0.00 O ATOM 626 CB LEU A 39 -15.431 -3.154 10.568 1.00 0.00 C ATOM 627 CG LEU A 39 -16.037 -2.087 9.595 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.635 -0.880 10.343 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.982 -1.638 8.562 1.00 0.00 C ATOM 0 H LEU A 39 -13.328 -4.498 12.072 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.830 -1.791 10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.152 -4.030 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.213 -3.468 11.260 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.863 -2.562 9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.041 -0.170 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.431 -1.220 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.856 -0.394 10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.420 -0.896 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.129 -1.201 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.652 -2.499 7.982 1.00 0.00 H new ATOM 641 N HIS A 40 -14.515 -1.110 13.227 1.00 0.00 N ATOM 642 CA HIS A 40 -14.479 -0.641 14.628 1.00 0.00 C ATOM 643 C HIS A 40 -15.763 -0.996 15.427 1.00 0.00 C ATOM 644 O HIS A 40 -15.671 -1.501 16.551 1.00 0.00 O ATOM 645 CB HIS A 40 -14.192 0.890 14.668 1.00 0.00 C ATOM 646 CG HIS A 40 -15.294 1.782 14.129 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.779 2.870 14.823 1.00 0.00 N ATOM 648 CD2 HIS A 40 -15.972 1.767 12.948 1.00 0.00 C ATOM 649 CE1 HIS A 40 -16.702 3.477 14.103 1.00 0.00 C ATOM 650 NE2 HIS A 40 -16.836 2.831 12.961 1.00 0.00 N ATOM 0 H HIS A 40 -14.538 -0.352 12.545 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.667 -1.173 15.125 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.991 1.176 15.700 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.282 1.085 14.100 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.851 1.050 12.149 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -17.256 4.356 14.399 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.478 3.082 12.210 1.00 0.00 H new ATOM 659 N TYR A 41 -16.941 -0.743 14.827 1.00 0.00 N ATOM 660 CA TYR A 41 -18.253 -0.941 15.481 1.00 0.00 C ATOM 661 C TYR A 41 -19.361 -0.934 14.418 1.00 0.00 C ATOM 662 O TYR A 41 -19.376 -0.054 13.547 1.00 0.00 O ATOM 663 CB TYR A 41 -18.530 0.147 16.558 1.00 0.00 C ATOM 664 CG TYR A 41 -19.845 -0.071 17.337 1.00 0.00 C ATOM 665 CD1 TYR A 41 -19.895 -0.936 18.433 1.00 0.00 C ATOM 666 CD2 TYR A 41 -21.038 0.563 16.959 1.00 0.00 C ATOM 667 CE1 TYR A 41 -21.076 -1.158 19.118 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.216 0.345 17.645 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.232 -0.518 18.722 1.00 0.00 C ATOM 670 OH TYR A 41 -23.411 -0.739 19.407 1.00 0.00 O ATOM 0 H TYR A 41 -17.012 -0.394 13.871 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.238 -1.905 15.990 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.699 0.167 17.263 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.562 1.124 16.075 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.995 -1.441 18.751 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.035 1.235 16.114 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -21.093 -1.832 19.962 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -23.122 0.848 17.340 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.129 -0.211 19.000 1.00 0.00 H new ATOM 743 N LYS A 46 -23.652 -3.378 7.304 1.00 0.00 N ATOM 744 CA LYS A 46 -23.082 -4.377 6.386 1.00 0.00 C ATOM 745 C LYS A 46 -21.767 -3.845 5.789 1.00 0.00 C ATOM 746 O LYS A 46 -21.721 -3.418 4.628 1.00 0.00 O ATOM 747 CB LYS A 46 -24.100 -4.738 5.259 1.00 0.00 C ATOM 748 CG LYS A 46 -23.846 -6.107 4.576 1.00 0.00 C ATOM 749 CD LYS A 46 -24.505 -6.244 3.178 1.00 0.00 C ATOM 750 CE LYS A 46 -23.631 -5.681 2.033 1.00 0.00 C ATOM 751 NZ LYS A 46 -23.251 -4.255 2.224 1.00 0.00 N ATOM 0 HA LYS A 46 -22.869 -5.289 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -25.105 -4.738 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.073 -3.957 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -22.771 -6.258 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.221 -6.900 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -24.713 -7.296 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.464 -5.725 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -22.726 -6.282 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -24.170 -5.782 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.769 -3.907 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -24.106 -3.688 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -22.612 -4.172 3.040 1.00 0.00 H new ATOM 765 N THR A 47 -20.719 -3.794 6.624 1.00 0.00 N ATOM 766 CA THR A 47 -19.346 -3.458 6.178 1.00 0.00 C ATOM 767 C THR A 47 -18.340 -4.548 6.637 1.00 0.00 C ATOM 768 O THR A 47 -17.188 -4.596 6.173 1.00 0.00 O ATOM 769 CB THR A 47 -18.941 -2.028 6.696 1.00 0.00 C ATOM 770 OG1 THR A 47 -20.012 -1.110 6.430 1.00 0.00 O ATOM 771 CG2 THR A 47 -17.658 -1.489 6.028 1.00 0.00 C ATOM 0 H THR A 47 -20.791 -3.982 7.624 1.00 0.00 H new ATOM 0 HA THR A 47 -19.321 -3.434 5.089 1.00 0.00 H new ATOM 0 HB THR A 47 -18.747 -2.118 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 47 -19.766 -0.218 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.429 -0.500 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.828 -2.165 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.810 -1.421 4.951 1.00 0.00 H new ATOM 779 N VAL A 48 -18.802 -5.465 7.517 1.00 0.00 N ATOM 780 CA VAL A 48 -17.959 -6.547 8.073 1.00 0.00 C ATOM 781 C VAL A 48 -18.446 -7.928 7.580 1.00 0.00 C ATOM 782 O VAL A 48 -19.654 -8.139 7.423 1.00 0.00 O ATOM 783 CB VAL A 48 -17.936 -6.497 9.647 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.290 -6.917 10.289 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.774 -7.331 10.200 1.00 0.00 C ATOM 0 H VAL A 48 -19.763 -5.476 7.860 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.940 -6.394 7.716 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.780 -5.455 9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.210 -6.862 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.078 -6.245 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.531 -7.938 9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.777 -7.282 11.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.887 -8.368 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.831 -6.937 9.822 1.00 0.00 H new ATOM 795 N THR A 49 -17.505 -8.855 7.319 1.00 0.00 N ATOM 796 CA THR A 49 -17.828 -10.212 6.824 1.00 0.00 C ATOM 797 C THR A 49 -17.595 -11.284 7.913 1.00 0.00 C ATOM 798 O THR A 49 -18.045 -12.425 7.764 1.00 0.00 O ATOM 799 CB THR A 49 -17.007 -10.544 5.527 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.347 -11.846 5.020 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.494 -10.463 5.757 1.00 0.00 C ATOM 0 H THR A 49 -16.506 -8.689 7.443 1.00 0.00 H new ATOM 0 HA THR A 49 -18.888 -10.226 6.571 1.00 0.00 H new ATOM 0 HB THR A 49 -17.276 -9.787 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.815 -12.356 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.972 -10.701 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.228 -9.455 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.205 -11.175 6.530 1.00 0.00 H new ATOM 809 N HIS A 50 -16.888 -10.918 9.005 1.00 0.00 N ATOM 810 CA HIS A 50 -16.636 -11.820 10.153 1.00 0.00 C ATOM 811 C HIS A 50 -16.783 -11.049 11.464 1.00 0.00 C ATOM 812 O HIS A 50 -16.161 -10.015 11.631 1.00 0.00 O ATOM 813 CB HIS A 50 -15.216 -12.459 10.101 1.00 0.00 C ATOM 814 CG HIS A 50 -15.016 -13.460 8.995 1.00 0.00 C ATOM 815 ND1 HIS A 50 -15.371 -14.783 9.110 1.00 0.00 N ATOM 816 CD2 HIS A 50 -14.496 -13.325 7.754 1.00 0.00 C ATOM 817 CE1 HIS A 50 -15.079 -15.412 7.989 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.545 -14.552 7.149 1.00 0.00 N ATOM 0 H HIS A 50 -16.476 -9.991 9.116 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.372 -12.622 10.096 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.479 -11.664 9.990 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.017 -12.948 11.055 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -15.794 -15.211 9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.112 -12.414 7.319 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.250 -16.460 7.793 1.00 0.00 H new ATOM 827 N ILE A 51 -17.589 -11.565 12.398 1.00 0.00 N ATOM 828 CA ILE A 51 -17.716 -10.992 13.753 1.00 0.00 C ATOM 829 C ILE A 51 -17.161 -12.016 14.751 1.00 0.00 C ATOM 830 O ILE A 51 -17.406 -13.199 14.605 1.00 0.00 O ATOM 831 CB ILE A 51 -19.208 -10.614 14.101 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.776 -9.596 13.054 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.339 -10.063 15.550 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.236 -9.200 13.258 1.00 0.00 C ATOM 0 H ILE A 51 -18.171 -12.388 12.243 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.149 -10.062 13.806 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.803 -11.526 14.050 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.165 -8.694 13.080 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.669 -10.026 12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.381 -9.814 15.752 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.003 -10.820 16.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.725 -9.169 15.656 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.533 -8.493 12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.865 -10.088 13.200 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.354 -8.736 14.237 1.00 0.00 H new ATOM 846 N VAL A 52 -16.375 -11.568 15.728 1.00 0.00 N ATOM 847 CA VAL A 52 -15.759 -12.448 16.732 1.00 0.00 C ATOM 848 C VAL A 52 -16.359 -12.151 18.103 1.00 0.00 C ATOM 849 O VAL A 52 -16.252 -11.035 18.598 1.00 0.00 O ATOM 850 CB VAL A 52 -14.203 -12.263 16.764 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.530 -13.136 17.853 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.611 -12.562 15.378 1.00 0.00 C ATOM 0 H VAL A 52 -16.144 -10.582 15.850 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.964 -13.484 16.463 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.998 -11.225 17.024 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.452 -12.973 17.836 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.923 -12.863 18.832 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.741 -14.187 17.658 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.529 -12.431 15.408 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.845 -13.589 15.096 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.039 -11.878 14.645 1.00 0.00 H new ATOM 862 N ALA A 53 -16.989 -13.162 18.697 1.00 0.00 N ATOM 863 CA ALA A 53 -17.559 -13.083 20.050 1.00 0.00 C ATOM 864 C ALA A 53 -17.228 -14.368 20.825 1.00 0.00 C ATOM 865 O ALA A 53 -16.674 -15.319 20.260 1.00 0.00 O ATOM 866 CB ALA A 53 -19.079 -12.837 19.970 1.00 0.00 C ATOM 0 H ALA A 53 -17.122 -14.070 18.252 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.119 -12.243 20.588 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.492 -12.780 20.977 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.269 -11.900 19.446 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.552 -13.657 19.430 1.00 0.00 H new ATOM 872 N SER A 54 -17.562 -14.386 22.120 1.00 0.00 N ATOM 873 CA SER A 54 -17.411 -15.584 22.971 1.00 0.00 C ATOM 874 C SER A 54 -18.707 -16.399 22.891 1.00 0.00 C ATOM 875 O SER A 54 -18.703 -17.627 22.738 1.00 0.00 O ATOM 876 CB SER A 54 -17.112 -15.159 24.427 1.00 0.00 C ATOM 877 OG SER A 54 -16.981 -16.276 25.294 1.00 0.00 O ATOM 0 H SER A 54 -17.943 -13.577 22.611 1.00 0.00 H new ATOM 0 HA SER A 54 -16.578 -16.196 22.625 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.194 -14.572 24.451 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.913 -14.513 24.787 1.00 0.00 H new ATOM 0 HG SER A 54 -16.791 -15.964 26.203 1.00 0.00 H new ATOM 883 N ASN A 55 -19.818 -15.664 22.979 1.00 0.00 N ATOM 884 CA ASN A 55 -21.176 -16.190 22.838 1.00 0.00 C ATOM 885 C ASN A 55 -21.936 -15.311 21.838 1.00 0.00 C ATOM 886 O ASN A 55 -21.708 -14.093 21.778 1.00 0.00 O ATOM 887 CB ASN A 55 -21.891 -16.209 24.219 1.00 0.00 C ATOM 888 CG ASN A 55 -23.359 -16.642 24.147 1.00 0.00 C ATOM 889 OD1 ASN A 55 -24.267 -15.810 24.059 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.603 -17.943 24.165 1.00 0.00 N ATOM 0 H ASN A 55 -19.796 -14.660 23.155 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.146 -17.215 22.468 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -21.355 -16.884 24.886 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.836 -15.214 24.660 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.563 -18.283 24.105 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.831 -18.606 24.239 1.00 0.00 H new ATOM 897 N LEU A 56 -22.834 -15.928 21.058 1.00 0.00 N ATOM 898 CA LEU A 56 -23.702 -15.214 20.106 1.00 0.00 C ATOM 899 C LEU A 56 -25.132 -15.799 20.240 1.00 0.00 C ATOM 900 O LEU A 56 -25.325 -16.994 19.992 1.00 0.00 O ATOM 901 CB LEU A 56 -23.135 -15.347 18.648 1.00 0.00 C ATOM 902 CG LEU A 56 -23.470 -14.204 17.628 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.942 -14.196 17.205 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.028 -12.827 18.172 1.00 0.00 C ATOM 0 H LEU A 56 -22.981 -16.937 21.068 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.734 -14.147 20.327 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.050 -15.428 18.716 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.499 -16.286 18.231 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.896 -14.412 16.725 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.113 -13.383 16.499 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.190 -15.146 16.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.572 -14.053 18.083 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.272 -12.053 17.445 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.547 -12.622 19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.952 -12.833 18.347 1.00 0.00 H new ATOM 916 N PRO A 57 -26.146 -14.977 20.657 1.00 0.00 N ATOM 917 CA PRO A 57 -27.524 -15.465 20.915 1.00 0.00 C ATOM 918 C PRO A 57 -28.344 -15.702 19.614 1.00 0.00 C ATOM 919 O PRO A 57 -28.073 -15.071 18.585 1.00 0.00 O ATOM 920 CB PRO A 57 -28.112 -14.337 21.794 1.00 0.00 C ATOM 921 CG PRO A 57 -27.443 -13.092 21.308 1.00 0.00 C ATOM 922 CD PRO A 57 -26.038 -13.508 20.912 1.00 0.00 C ATOM 0 HA PRO A 57 -27.547 -16.445 21.392 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -29.195 -14.273 21.685 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.907 -14.510 22.850 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.979 -12.665 20.460 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.421 -12.330 22.087 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.700 -12.974 20.024 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.321 -13.293 21.705 1.00 0.00 H new ATOM 930 N LEU A 58 -29.360 -16.597 19.708 1.00 0.00 N ATOM 931 CA LEU A 58 -30.127 -17.147 18.553 1.00 0.00 C ATOM 932 C LEU A 58 -30.687 -16.072 17.592 1.00 0.00 C ATOM 933 O LEU A 58 -30.515 -16.166 16.371 1.00 0.00 O ATOM 934 CB LEU A 58 -31.286 -18.045 19.064 1.00 0.00 C ATOM 935 CG LEU A 58 -30.872 -19.315 19.875 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.111 -20.104 20.351 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.916 -20.221 19.063 1.00 0.00 C ATOM 0 H LEU A 58 -29.678 -16.966 20.604 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.412 -17.731 17.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.939 -17.437 19.690 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.875 -18.365 18.205 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.332 -18.974 20.758 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.790 -20.982 20.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.723 -19.468 20.991 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.695 -20.420 19.487 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.649 -21.094 19.658 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.411 -20.544 18.147 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.013 -19.664 18.811 1.00 0.00 H new ATOM 949 N LYS A 59 -31.362 -15.061 18.150 1.00 0.00 N ATOM 950 CA LYS A 59 -31.996 -14.001 17.343 1.00 0.00 C ATOM 951 C LYS A 59 -30.944 -13.095 16.676 1.00 0.00 C ATOM 952 O LYS A 59 -31.184 -12.602 15.576 1.00 0.00 O ATOM 953 CB LYS A 59 -33.032 -13.184 18.176 1.00 0.00 C ATOM 954 CG LYS A 59 -34.469 -13.784 18.195 1.00 0.00 C ATOM 955 CD LYS A 59 -34.597 -15.130 18.958 1.00 0.00 C ATOM 956 CE LYS A 59 -34.579 -14.969 20.492 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.732 -14.165 20.991 1.00 0.00 N ATOM 0 H LYS A 59 -31.486 -14.950 19.156 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.551 -14.488 16.541 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -32.672 -13.105 19.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -33.081 -12.171 17.777 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -35.145 -13.059 18.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -34.801 -13.931 17.167 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -35.525 -15.620 18.662 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -33.780 -15.787 18.660 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.597 -15.954 20.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -33.647 -14.490 20.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -35.825 -14.293 22.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -35.571 -13.159 20.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -36.605 -14.482 20.522 1.00 0.00 H new ATOM 971 N LYS A 60 -29.770 -12.896 17.321 1.00 0.00 N ATOM 972 CA LYS A 60 -28.650 -12.162 16.687 1.00 0.00 C ATOM 973 C LYS A 60 -27.996 -13.000 15.578 1.00 0.00 C ATOM 974 O LYS A 60 -27.434 -12.434 14.654 1.00 0.00 O ATOM 975 CB LYS A 60 -27.575 -11.700 17.711 1.00 0.00 C ATOM 976 CG LYS A 60 -28.007 -10.536 18.623 1.00 0.00 C ATOM 977 CD LYS A 60 -28.470 -9.293 17.834 1.00 0.00 C ATOM 978 CE LYS A 60 -28.939 -8.156 18.754 1.00 0.00 C ATOM 979 NZ LYS A 60 -30.042 -8.589 19.663 1.00 0.00 N ATOM 0 H LYS A 60 -29.576 -13.228 18.266 1.00 0.00 H new ATOM 0 HA LYS A 60 -29.086 -11.265 16.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.300 -12.550 18.336 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.679 -11.402 17.166 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.817 -10.871 19.271 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -27.174 -10.260 19.270 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.651 -8.937 17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -29.283 -9.573 17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.098 -7.801 19.349 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.278 -7.316 18.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -30.476 -7.753 20.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -30.761 -9.104 19.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -29.658 -9.212 20.402 1.00 0.00 H new ATOM 993 N ARG A 61 -28.060 -14.345 15.689 1.00 0.00 N ATOM 994 CA ARG A 61 -27.608 -15.254 14.602 1.00 0.00 C ATOM 995 C ARG A 61 -28.424 -14.988 13.326 1.00 0.00 C ATOM 996 O ARG A 61 -27.884 -15.009 12.222 1.00 0.00 O ATOM 997 CB ARG A 61 -27.729 -16.750 15.014 1.00 0.00 C ATOM 998 CG ARG A 61 -26.990 -17.115 16.316 1.00 0.00 C ATOM 999 CD ARG A 61 -27.181 -18.580 16.748 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.573 -18.824 18.067 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.217 -20.020 18.559 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.327 -21.136 17.843 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -25.714 -20.081 19.774 1.00 0.00 N ATOM 0 H ARG A 61 -28.417 -14.827 16.514 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.555 -15.050 14.411 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.784 -16.998 15.128 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.341 -17.369 14.205 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.926 -16.920 16.186 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -27.338 -16.462 17.116 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -28.244 -18.817 16.784 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.732 -19.243 16.008 1.00 0.00 H new ATOM 0 HE ARG A 61 -26.408 -18.010 18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -26.691 -21.097 16.891 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.047 -22.030 18.246 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -25.601 -19.229 20.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.437 -20.981 20.167 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.734 -14.726 13.515 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.658 -14.330 12.424 1.00 0.00 C ATOM 1019 C ILE A 62 -30.254 -12.955 11.833 1.00 0.00 C ATOM 1020 O ILE A 62 -30.234 -12.777 10.608 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.150 -14.277 12.946 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.561 -15.640 13.590 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.148 -13.867 11.827 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.950 -15.664 14.224 1.00 0.00 C ATOM 0 H ILE A 62 -30.184 -14.782 14.428 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.589 -15.081 11.637 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.196 -13.504 13.713 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.515 -16.415 12.824 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.826 -15.900 14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.160 -13.844 12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.886 -12.879 11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.099 -14.590 11.013 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.142 -16.652 14.643 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -34.001 -14.918 15.017 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.700 -15.440 13.466 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.919 -11.997 12.720 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.521 -10.619 12.325 1.00 0.00 C ATOM 1038 C GLU A 63 -28.106 -10.597 11.704 1.00 0.00 C ATOM 1039 O GLU A 63 -27.749 -9.660 10.975 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.587 -9.659 13.551 1.00 0.00 C ATOM 1041 CG GLU A 63 -30.917 -9.687 14.344 1.00 0.00 C ATOM 1042 CD GLU A 63 -32.171 -9.372 13.501 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -32.755 -10.299 12.889 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -32.589 -8.198 13.463 1.00 0.00 O ATOM 0 H GLU A 63 -29.915 -12.150 13.729 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.226 -10.275 11.568 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.773 -9.909 14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -29.412 -8.641 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -31.036 -10.672 14.795 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -30.854 -8.968 15.161 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.309 -11.634 12.017 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.929 -11.801 11.521 1.00 0.00 C ATOM 1053 C PHE A 64 -25.847 -13.024 10.578 1.00 0.00 C ATOM 1054 O PHE A 64 -24.791 -13.640 10.440 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.926 -11.954 12.711 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.867 -10.796 13.727 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -25.162 -9.478 13.371 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.496 -11.037 15.054 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -25.091 -8.451 14.299 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.426 -10.010 15.980 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.725 -8.719 15.604 1.00 0.00 C ATOM 0 H PHE A 64 -27.609 -12.392 12.631 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.652 -10.908 10.960 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.177 -12.867 13.251 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.927 -12.093 12.297 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.451 -9.255 12.354 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.259 -12.045 15.363 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -25.322 -7.439 14.001 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.136 -10.221 16.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.673 -7.919 16.327 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.977 -13.359 9.926 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.073 -14.526 9.013 1.00 0.00 C ATOM 1073 C ALA A 65 -26.127 -14.397 7.792 1.00 0.00 C ATOM 1074 O ALA A 65 -25.678 -15.405 7.236 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.525 -14.723 8.559 1.00 0.00 C ATOM 0 H ALA A 65 -27.848 -12.835 10.013 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.750 -15.406 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.584 -15.581 7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.158 -14.897 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -28.867 -13.830 8.035 1.00 0.00 H new ATOM 1081 N ASN A 66 -25.830 -13.149 7.387 1.00 0.00 N ATOM 1082 CA ASN A 66 -24.870 -12.864 6.300 1.00 0.00 C ATOM 1083 C ASN A 66 -23.434 -12.733 6.850 1.00 0.00 C ATOM 1084 O ASN A 66 -22.468 -13.073 6.156 1.00 0.00 O ATOM 1085 CB ASN A 66 -25.290 -11.566 5.551 1.00 0.00 C ATOM 1086 CG ASN A 66 -24.261 -11.087 4.515 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -23.435 -10.214 4.801 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -24.289 -11.659 3.318 1.00 0.00 N ATOM 0 H ASN A 66 -26.244 -12.313 7.799 1.00 0.00 H new ATOM 0 HA ASN A 66 -24.883 -13.698 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.243 -11.739 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.453 -10.773 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -23.616 -11.381 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -24.983 -12.377 3.112 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.305 -12.285 8.114 1.00 0.00 N ATOM 1096 CA TYR A 67 -21.992 -12.013 8.742 1.00 0.00 C ATOM 1097 C TYR A 67 -21.478 -13.297 9.411 1.00 0.00 C ATOM 1098 O TYR A 67 -22.120 -13.815 10.332 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.100 -10.866 9.789 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.914 -9.648 9.315 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.615 -8.982 8.125 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.985 -9.170 10.063 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -23.360 -7.899 7.708 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.732 -8.086 9.651 1.00 0.00 C ATOM 1105 CZ TYR A 67 -24.418 -7.455 8.473 1.00 0.00 C ATOM 1106 OH TYR A 67 -25.168 -6.377 8.051 1.00 0.00 O ATOM 0 H TYR A 67 -24.100 -12.102 8.727 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.291 -11.694 7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.555 -11.261 10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.095 -10.536 10.054 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.786 -9.321 7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.238 -9.661 10.991 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -23.115 -7.399 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -25.559 -7.736 10.251 1.00 0.00 H new ATOM 0 HH TYR A 67 -25.875 -6.195 8.705 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.335 -13.811 8.936 1.00 0.00 N ATOM 1117 CA LYS A 68 -19.757 -15.069 9.431 1.00 0.00 C ATOM 1118 C LYS A 68 -19.203 -14.861 10.855 1.00 0.00 C ATOM 1119 O LYS A 68 -18.029 -14.505 11.037 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.646 -15.595 8.465 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.119 -16.091 7.069 1.00 0.00 C ATOM 1122 CD LYS A 68 -19.703 -14.985 6.157 1.00 0.00 C ATOM 1123 CE LYS A 68 -20.085 -15.502 4.757 1.00 0.00 C ATOM 1124 NZ LYS A 68 -20.807 -14.472 3.963 1.00 0.00 N ATOM 0 H LYS A 68 -19.786 -13.368 8.199 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.540 -15.826 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.918 -14.797 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.124 -16.414 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.276 -16.557 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.874 -16.864 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.585 -14.556 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.973 -14.182 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.184 -15.806 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.711 -16.389 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.388 -14.938 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.420 -13.916 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.119 -13.842 3.504 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.078 -15.034 11.868 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.676 -14.886 13.271 1.00 0.00 C ATOM 1140 C VAL A 69 -18.998 -16.175 13.732 1.00 0.00 C ATOM 1141 O VAL A 69 -19.550 -17.266 13.566 1.00 0.00 O ATOM 1142 CB VAL A 69 -20.864 -14.535 14.237 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.342 -14.214 15.665 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -21.722 -13.377 13.678 1.00 0.00 C ATOM 0 H VAL A 69 -21.060 -15.275 11.736 1.00 0.00 H new ATOM 0 HA VAL A 69 -18.989 -14.041 13.318 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.507 -15.412 14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.184 -13.974 16.315 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.812 -15.080 16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.663 -13.362 15.621 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.535 -13.159 14.371 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.101 -12.489 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.136 -13.664 12.711 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.807 -16.024 14.308 1.00 0.00 N ATOM 1155 CA VAL A 70 -16.946 -17.118 14.742 1.00 0.00 C ATOM 1156 C VAL A 70 -16.441 -16.856 16.170 1.00 0.00 C ATOM 1157 O VAL A 70 -16.653 -15.771 16.740 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.712 -17.287 13.772 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.163 -17.671 12.345 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.835 -16.007 13.755 1.00 0.00 C ATOM 0 H VAL A 70 -17.403 -15.105 14.491 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.533 -18.036 14.723 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.103 -18.106 14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.288 -17.779 11.704 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.708 -18.614 12.377 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.811 -16.891 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.993 -16.152 13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.432 -15.161 13.415 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.463 -15.807 14.760 1.00 0.00 H new ATOM 1170 N SER A 71 -15.776 -17.866 16.728 1.00 0.00 N ATOM 1171 CA SER A 71 -15.113 -17.791 18.034 1.00 0.00 C ATOM 1172 C SER A 71 -13.688 -17.202 17.867 1.00 0.00 C ATOM 1173 O SER A 71 -13.147 -17.231 16.749 1.00 0.00 O ATOM 1174 CB SER A 71 -15.070 -19.210 18.649 1.00 0.00 C ATOM 1175 OG SER A 71 -14.432 -20.135 17.790 1.00 0.00 O ATOM 0 H SER A 71 -15.680 -18.777 16.279 1.00 0.00 H new ATOM 0 HA SER A 71 -15.666 -17.133 18.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.544 -19.177 19.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.086 -19.547 18.857 1.00 0.00 H new ATOM 0 HG SER A 71 -14.422 -21.020 18.212 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.048 -16.647 18.962 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.650 -16.114 18.898 1.00 0.00 C ATOM 1183 C PRO A 72 -10.621 -17.184 18.449 1.00 0.00 C ATOM 1184 O PRO A 72 -9.570 -16.851 17.899 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.374 -15.643 20.359 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.402 -16.346 21.199 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.626 -16.451 20.325 1.00 0.00 C ATOM 0 HA PRO A 72 -11.550 -15.318 18.160 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.363 -15.904 20.673 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.466 -14.561 20.448 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.052 -17.332 21.506 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.616 -15.786 22.109 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.261 -17.287 20.618 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.239 -15.551 20.378 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.974 -18.463 18.674 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.145 -19.636 18.319 1.00 0.00 C ATOM 1197 C ASP A 73 -9.897 -19.732 16.802 1.00 0.00 C ATOM 1198 O ASP A 73 -8.905 -20.317 16.389 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.835 -20.939 18.794 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.013 -21.025 20.317 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -11.784 -20.213 20.877 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.404 -21.905 20.961 1.00 0.00 O ATOM 0 H ASP A 73 -11.858 -18.718 19.115 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.184 -19.510 18.818 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.813 -21.016 18.318 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.248 -21.794 18.457 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.819 -19.176 15.984 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.648 -19.120 14.510 1.00 0.00 C ATOM 1209 C TRP A 74 -9.399 -18.292 14.151 1.00 0.00 C ATOM 1210 O TRP A 74 -8.627 -18.667 13.271 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.912 -18.524 13.825 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.846 -18.477 12.301 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.799 -19.547 11.446 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.827 -17.309 11.460 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.723 -19.113 10.144 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.743 -17.750 10.126 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.853 -15.935 11.710 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.708 -16.870 9.049 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.821 -15.060 10.641 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.737 -15.531 9.323 1.00 0.00 C ATOM 0 H TRP A 74 -11.689 -18.760 16.317 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.513 -20.137 14.142 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.781 -19.113 14.120 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -12.070 -17.513 14.200 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.819 -20.583 11.751 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.661 -19.715 9.323 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -11.897 -15.562 12.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.660 -17.232 8.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -11.861 -13.996 10.824 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.694 -14.823 8.509 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.211 -17.185 14.885 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.110 -16.224 14.665 1.00 0.00 C ATOM 1233 C ILE A 75 -6.809 -16.817 15.230 1.00 0.00 C ATOM 1234 O ILE A 75 -5.796 -16.872 14.541 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.392 -14.808 15.330 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.691 -14.136 14.756 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.174 -13.855 15.169 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.995 -14.784 15.174 1.00 0.00 C ATOM 0 H ILE A 75 -9.824 -16.925 15.658 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.023 -16.057 13.591 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.552 -14.988 16.393 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.708 -13.091 15.067 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.633 -14.144 13.668 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.399 -12.895 15.634 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.301 -14.296 15.650 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.967 -13.705 14.109 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.829 -14.245 14.725 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.010 -15.821 14.839 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.085 -14.753 16.260 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.887 -17.293 16.483 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.743 -17.868 17.224 1.00 0.00 C ATOM 1252 C VAL A 76 -5.113 -19.050 16.456 1.00 0.00 C ATOM 1253 O VAL A 76 -3.902 -19.070 16.206 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.203 -18.348 18.655 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.062 -19.055 19.432 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.776 -17.167 19.472 1.00 0.00 C ATOM 0 H VAL A 76 -7.754 -17.291 17.020 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.990 -17.087 17.329 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.993 -19.084 18.508 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.427 -19.367 20.411 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.729 -19.930 18.873 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.227 -18.366 19.559 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.087 -17.521 20.455 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.011 -16.400 19.588 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.635 -16.746 18.950 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.974 -19.997 16.058 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.558 -21.264 15.427 1.00 0.00 C ATOM 1268 C ASP A 77 -5.042 -21.014 13.995 1.00 0.00 C ATOM 1269 O ASP A 77 -4.060 -21.620 13.592 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.730 -22.290 15.443 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.305 -23.742 15.133 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -6.218 -24.121 13.948 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.071 -24.522 16.087 1.00 0.00 O ATOM 0 H ASP A 77 -6.985 -19.908 16.164 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.736 -21.689 16.003 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.207 -22.264 16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.480 -21.980 14.715 1.00 0.00 H new ATOM 1278 N SER A 78 -5.701 -20.101 13.242 1.00 0.00 N ATOM 1279 CA SER A 78 -5.287 -19.760 11.854 1.00 0.00 C ATOM 1280 C SER A 78 -3.893 -19.100 11.831 1.00 0.00 C ATOM 1281 O SER A 78 -3.040 -19.445 11.006 1.00 0.00 O ATOM 1282 CB SER A 78 -6.322 -18.829 11.185 1.00 0.00 C ATOM 1283 OG SER A 78 -6.432 -17.597 11.868 1.00 0.00 O ATOM 0 H SER A 78 -6.519 -19.587 13.569 1.00 0.00 H new ATOM 0 HA SER A 78 -5.235 -20.692 11.291 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.033 -18.647 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.294 -19.321 11.163 1.00 0.00 H new ATOM 0 HG SER A 78 -7.171 -17.644 12.510 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.692 -18.151 12.757 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.410 -17.449 12.966 1.00 0.00 C ATOM 1291 C VAL A 79 -1.312 -18.420 13.467 1.00 0.00 C ATOM 1292 O VAL A 79 -0.133 -18.267 13.128 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.627 -16.241 13.969 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.306 -15.637 14.505 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.493 -15.142 13.299 1.00 0.00 C ATOM 0 H VAL A 79 -4.426 -17.842 13.394 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.063 -17.051 12.012 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.148 -16.647 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.531 -14.816 15.185 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.744 -16.405 15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.711 -15.265 13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.636 -14.316 13.996 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.990 -14.778 12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.462 -15.559 13.026 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.709 -19.422 14.266 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.770 -20.439 14.795 1.00 0.00 C ATOM 1307 C LYS A 80 -0.333 -21.413 13.685 1.00 0.00 C ATOM 1308 O LYS A 80 0.837 -21.800 13.608 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.403 -21.203 15.989 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.399 -22.012 16.852 1.00 0.00 C ATOM 1311 CD LYS A 80 0.669 -21.127 17.551 1.00 0.00 C ATOM 1312 CE LYS A 80 0.065 -20.103 18.534 1.00 0.00 C ATOM 1313 NZ LYS A 80 1.096 -19.195 19.104 1.00 0.00 N ATOM 0 H LYS A 80 -2.675 -19.555 14.564 1.00 0.00 H new ATOM 0 HA LYS A 80 0.120 -19.924 15.157 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.915 -20.486 16.630 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.161 -21.885 15.604 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.950 -22.570 17.609 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.104 -22.744 16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.367 -21.769 18.089 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.244 -20.596 16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.693 -19.512 18.020 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.438 -20.632 19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.645 -18.525 19.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.806 -19.755 19.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.559 -18.670 18.335 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.284 -21.770 12.809 1.00 0.00 N ATOM 1328 CA GLU A 81 -1.067 -22.730 11.703 1.00 0.00 C ATOM 1329 C GLU A 81 -0.571 -22.031 10.417 1.00 0.00 C ATOM 1330 O GLU A 81 -0.230 -22.716 9.439 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.386 -23.499 11.418 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.894 -24.388 12.573 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.898 -25.492 12.975 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.891 -26.567 12.331 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.121 -25.294 13.935 1.00 0.00 O ATOM 0 H GLU A 81 -2.234 -21.401 12.844 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.289 -23.428 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.163 -22.776 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.240 -24.124 10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.101 -23.761 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.837 -24.849 12.280 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.565 -20.674 10.433 1.00 0.00 N ATOM 1343 CA ALA A 82 -0.113 -19.816 9.304 1.00 0.00 C ATOM 1344 C ALA A 82 -0.974 -20.016 8.023 1.00 0.00 C ATOM 1345 O ALA A 82 -0.510 -19.758 6.902 1.00 0.00 O ATOM 1346 CB ALA A 82 1.398 -20.025 9.030 1.00 0.00 C ATOM 0 H ALA A 82 -0.878 -20.136 11.241 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.259 -18.778 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.709 -19.389 8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.969 -19.765 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.580 -21.069 8.775 1.00 0.00 H new ATOM 1352 N ARG A 83 -2.253 -20.408 8.216 1.00 0.00 N ATOM 1353 CA ARG A 83 -3.192 -20.730 7.115 1.00 0.00 C ATOM 1354 C ARG A 83 -4.590 -20.146 7.413 1.00 0.00 C ATOM 1355 O ARG A 83 -4.865 -19.757 8.542 1.00 0.00 O ATOM 1356 CB ARG A 83 -3.289 -22.276 6.945 1.00 0.00 C ATOM 1357 CG ARG A 83 -4.040 -23.003 8.088 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.980 -24.540 7.991 1.00 0.00 C ATOM 1359 NE ARG A 83 -2.614 -25.055 8.227 1.00 0.00 N ATOM 1360 CZ ARG A 83 -2.307 -26.165 8.932 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -3.256 -26.914 9.489 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -1.034 -26.498 9.093 1.00 0.00 N ATOM 0 H ARG A 83 -2.666 -20.511 9.143 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.819 -20.287 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.790 -22.494 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.281 -22.685 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.618 -22.692 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.084 -22.688 8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.663 -24.977 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.321 -24.855 7.005 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.839 -24.528 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.237 -26.653 9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.002 -27.749 10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.300 -25.918 8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.789 -27.334 9.623 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.463 -20.089 6.386 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.900 -19.765 6.565 1.00 0.00 C ATOM 1378 C LEU A 84 -7.663 -21.039 6.986 1.00 0.00 C ATOM 1379 O LEU A 84 -7.340 -22.149 6.539 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.490 -19.153 5.256 1.00 0.00 C ATOM 1381 CG LEU A 84 -9.029 -18.837 5.251 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.427 -17.875 6.396 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.485 -18.285 3.878 1.00 0.00 C ATOM 0 H LEU A 84 -5.199 -20.264 5.417 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.010 -19.018 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.953 -18.229 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.282 -19.840 4.436 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.548 -19.780 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.499 -17.684 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.176 -18.328 7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.886 -16.935 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.554 -18.076 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.942 -17.366 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.280 -19.023 3.103 1.00 0.00 H new ATOM 1395 N LEU A 85 -8.653 -20.870 7.877 1.00 0.00 N ATOM 1396 CA LEU A 85 -9.489 -21.970 8.392 1.00 0.00 C ATOM 1397 C LEU A 85 -10.929 -21.847 7.856 1.00 0.00 C ATOM 1398 O LEU A 85 -11.369 -20.737 7.517 1.00 0.00 O ATOM 1399 CB LEU A 85 -9.523 -21.937 9.943 1.00 0.00 C ATOM 1400 CG LEU A 85 -8.157 -22.020 10.683 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -8.369 -22.026 12.211 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -7.317 -23.228 10.219 1.00 0.00 C ATOM 0 H LEU A 85 -8.899 -19.959 8.264 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.056 -22.912 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.019 -21.017 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.144 -22.764 10.286 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.585 -21.129 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.403 -22.084 12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.879 -21.110 12.511 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.976 -22.887 12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.373 -23.245 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.865 -24.149 10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.119 -23.144 9.150 1.00 0.00 H new ATOM 1414 N PRO A 86 -11.687 -22.988 7.779 1.00 0.00 N ATOM 1415 CA PRO A 86 -13.146 -22.948 7.568 1.00 0.00 C ATOM 1416 C PRO A 86 -13.846 -22.285 8.779 1.00 0.00 C ATOM 1417 O PRO A 86 -13.833 -22.821 9.896 1.00 0.00 O ATOM 1418 CB PRO A 86 -13.533 -24.443 7.405 1.00 0.00 C ATOM 1419 CG PRO A 86 -12.451 -25.196 8.112 1.00 0.00 C ATOM 1420 CD PRO A 86 -11.190 -24.395 7.862 1.00 0.00 C ATOM 0 HA PRO A 86 -13.449 -22.357 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -14.510 -24.649 7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.589 -24.725 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.660 -25.280 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.358 -26.210 7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.468 -24.520 8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.695 -24.702 6.941 1.00 0.00 H new ATOM 1428 N TRP A 87 -14.403 -21.089 8.542 1.00 0.00 N ATOM 1429 CA TRP A 87 -15.149 -20.318 9.558 1.00 0.00 C ATOM 1430 C TRP A 87 -16.372 -21.099 10.094 1.00 0.00 C ATOM 1431 O TRP A 87 -16.785 -20.899 11.236 1.00 0.00 O ATOM 1432 CB TRP A 87 -15.572 -18.941 8.978 1.00 0.00 C ATOM 1433 CG TRP A 87 -16.289 -19.004 7.643 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -17.603 -19.314 7.413 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -15.714 -18.744 6.357 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -17.872 -19.255 6.071 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -16.732 -18.901 5.402 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -14.434 -18.373 5.927 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -16.511 -18.722 4.042 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -14.213 -18.195 4.576 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -15.251 -18.360 3.648 1.00 0.00 C ATOM 0 H TRP A 87 -14.351 -20.623 7.636 1.00 0.00 H new ATOM 0 HA TRP A 87 -14.486 -20.152 10.407 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -16.220 -18.443 9.699 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -14.682 -18.321 8.867 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -18.322 -19.568 8.178 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -18.777 -19.445 5.640 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -13.635 -18.229 6.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.304 -18.863 3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -13.227 -17.925 4.229 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -15.052 -18.198 2.599 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.916 -22.000 9.245 1.00 0.00 N ATOM 1453 CA GLN A 88 -18.065 -22.876 9.582 1.00 0.00 C ATOM 1454 C GLN A 88 -17.772 -23.768 10.814 1.00 0.00 C ATOM 1455 O GLN A 88 -18.693 -24.147 11.547 1.00 0.00 O ATOM 1456 CB GLN A 88 -18.440 -23.763 8.358 1.00 0.00 C ATOM 1457 CG GLN A 88 -17.319 -24.718 7.883 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.719 -25.636 6.723 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -18.549 -25.279 5.881 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -17.122 -26.820 6.664 1.00 0.00 N ATOM 0 H GLN A 88 -16.567 -22.142 8.297 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.906 -22.230 9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -19.319 -24.355 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.721 -23.114 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.457 -24.124 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.002 -25.334 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.441 -27.084 7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.344 -27.466 5.907 1.00 0.00 H new ATOM 1469 N ASN A 89 -16.479 -24.092 11.028 1.00 0.00 N ATOM 1470 CA ASN A 89 -16.034 -24.951 12.141 1.00 0.00 C ATOM 1471 C ASN A 89 -16.149 -24.202 13.488 1.00 0.00 C ATOM 1472 O ASN A 89 -16.491 -24.798 14.519 1.00 0.00 O ATOM 1473 CB ASN A 89 -14.573 -25.421 11.891 1.00 0.00 C ATOM 1474 CG ASN A 89 -14.053 -26.410 12.943 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.814 -27.203 13.498 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.758 -26.366 13.225 1.00 0.00 N ATOM 0 H ASN A 89 -15.717 -23.765 10.434 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.680 -25.828 12.191 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -14.514 -25.887 10.907 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.919 -24.549 11.871 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.365 -27.001 13.920 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.154 -25.697 12.747 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.877 -22.887 13.455 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.871 -22.021 14.654 1.00 0.00 C ATOM 1485 C TYR A 90 -17.117 -21.105 14.700 1.00 0.00 C ATOM 1486 O TYR A 90 -17.217 -20.241 15.577 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.566 -21.182 14.671 1.00 0.00 C ATOM 1488 CG TYR A 90 -13.293 -22.043 14.772 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.828 -22.506 16.009 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.561 -22.393 13.637 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.686 -23.283 16.106 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.420 -23.167 13.734 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.983 -23.609 14.966 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.841 -24.385 15.051 1.00 0.00 O ATOM 0 H TYR A 90 -15.654 -22.389 12.593 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.908 -22.652 15.542 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.518 -20.578 13.765 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.597 -20.491 15.513 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.372 -22.252 16.907 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.891 -22.053 12.666 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.348 -23.632 17.070 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.869 -23.427 12.842 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.470 -24.521 14.154 1.00 0.00 H new ATOM 1504 N SER A 91 -18.065 -21.332 13.770 1.00 0.00 N ATOM 1505 CA SER A 91 -19.252 -20.473 13.574 1.00 0.00 C ATOM 1506 C SER A 91 -20.205 -20.496 14.791 1.00 0.00 C ATOM 1507 O SER A 91 -20.762 -21.549 15.131 1.00 0.00 O ATOM 1508 CB SER A 91 -20.009 -20.910 12.297 1.00 0.00 C ATOM 1509 OG SER A 91 -21.131 -20.083 12.048 1.00 0.00 O ATOM 0 H SER A 91 -18.029 -22.123 13.127 1.00 0.00 H new ATOM 0 HA SER A 91 -18.899 -19.448 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.333 -20.874 11.443 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.335 -21.945 12.403 1.00 0.00 H new ATOM 0 HG SER A 91 -21.586 -20.385 11.234 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.370 -19.327 15.440 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.317 -19.144 16.560 1.00 0.00 C ATOM 1517 C LEU A 92 -22.773 -19.059 16.059 1.00 0.00 C ATOM 1518 O LEU A 92 -23.701 -19.347 16.816 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.969 -17.860 17.353 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.544 -17.780 17.987 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.346 -16.430 18.700 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.273 -18.954 18.953 1.00 0.00 C ATOM 0 H LEU A 92 -19.851 -18.482 15.203 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.227 -20.013 17.212 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -21.091 -17.007 16.686 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.702 -17.747 18.152 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.821 -17.858 17.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.348 -16.392 19.136 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.459 -15.619 17.981 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.091 -16.322 19.489 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.271 -18.858 19.370 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.005 -18.938 19.760 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.351 -19.897 18.411 1.00 0.00 H new ATOM 1534 N THR A 93 -22.958 -18.646 14.785 1.00 0.00 N ATOM 1535 CA THR A 93 -24.294 -18.507 14.165 1.00 0.00 C ATOM 1536 C THR A 93 -24.972 -19.870 13.924 1.00 0.00 C ATOM 1537 O THR A 93 -26.201 -19.940 13.790 1.00 0.00 O ATOM 1538 CB THR A 93 -24.216 -17.701 12.830 1.00 0.00 C ATOM 1539 OG1 THR A 93 -23.174 -18.231 11.993 1.00 0.00 O ATOM 1540 CG2 THR A 93 -23.951 -16.209 13.085 1.00 0.00 C ATOM 0 H THR A 93 -22.189 -18.401 14.161 1.00 0.00 H new ATOM 0 HA THR A 93 -24.909 -17.953 14.875 1.00 0.00 H new ATOM 0 HB THR A 93 -25.180 -17.799 12.331 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.778 -19.018 12.423 1.00 0.00 H new ATOM 0 HG21 THR A 93 -23.903 -15.680 12.133 1.00 0.00 H new ATOM 0 HG22 THR A 93 -24.757 -15.795 13.690 1.00 0.00 H new ATOM 0 HG23 THR A 93 -23.004 -16.093 13.613 1.00 0.00 H new ATOM 1548 N SER A 94 -24.165 -20.942 13.861 1.00 0.00 N ATOM 1549 CA SER A 94 -24.670 -22.310 13.695 1.00 0.00 C ATOM 1550 C SER A 94 -24.922 -22.945 15.086 1.00 0.00 C ATOM 1551 O SER A 94 -26.086 -22.971 15.539 1.00 0.00 O ATOM 1552 CB SER A 94 -23.664 -23.131 12.862 1.00 0.00 C ATOM 1553 OG SER A 94 -23.419 -22.500 11.612 1.00 0.00 O ATOM 1554 OXT SER A 94 -23.950 -23.370 15.744 1.00 0.00 O ATOM 0 H SER A 94 -23.149 -20.883 13.924 1.00 0.00 H new ATOM 0 HA SER A 94 -25.619 -22.299 13.159 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.729 -23.237 13.412 1.00 0.00 H new ATOM 0 HB3 SER A 94 -24.053 -24.136 12.698 1.00 0.00 H new ATOM 0 HG SER A 94 -22.778 -23.033 11.097 1.00 0.00 H new