USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 1.5 K(o=2.1,f=0.82) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.589 K(o=2.1,f=0.82) USER MOD Single : A 30 SER OG : rot 130:sc= 0.514 USER MOD Single : A 31 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.02) USER MOD Single : A 32 THR OG1 : rot 152:sc= 0.312 USER MOD Single : A 44 GLN : amide:sc= 0.371 X(o=0.37,f=-0.017) USER MOD Single : A 46 SER OG : rot 73:sc= 1.19 USER MOD Single : A 49 ASN : amide:sc= 1.59 K(o=1.6,f=-0.018) USER MOD Single : A 58 MET CE :methyl 157:sc= -1.22 (180deg=-2.95!) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -95:sc= 1.11 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0.836 (180deg=0.51) USER MOD Single : A 86 HIS : no HE2:sc= 0.32 K(o=0.32,f=-2.7!) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= 0.689 (180deg=0.531) USER MOD Single : A 89 SER OG : rot 46:sc= 0.0876 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.317 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.053 10.735 5.542 1.00 0.00 N ATOM 36 CA SER A 30 5.918 10.889 4.083 1.00 0.00 C ATOM 37 C SER A 30 4.480 11.260 3.672 1.00 0.00 C ATOM 38 O SER A 30 4.257 11.707 2.547 1.00 0.00 O ATOM 39 CB SER A 30 6.251 9.579 3.358 1.00 0.00 C ATOM 40 OG SER A 30 7.624 9.243 3.448 1.00 0.00 O ATOM 0 HA SER A 30 6.610 11.684 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.654 8.771 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.970 9.667 2.309 1.00 0.00 H new ATOM 0 HG SER A 30 7.715 8.314 3.746 1.00 0.00 H new ATOM 46 N ASN A 31 3.498 11.076 4.561 1.00 0.00 N ATOM 47 CA ASN A 31 2.056 11.356 4.409 1.00 0.00 C ATOM 48 C ASN A 31 1.282 10.523 3.364 1.00 0.00 C ATOM 49 O ASN A 31 0.051 10.566 3.376 1.00 0.00 O ATOM 50 CB ASN A 31 1.757 12.850 4.156 1.00 0.00 C ATOM 51 CG ASN A 31 2.703 13.858 4.775 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.586 14.233 5.930 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.653 14.355 4.019 1.00 0.00 N ATOM 0 H ASN A 31 3.703 10.696 5.485 1.00 0.00 H new ATOM 0 HA ASN A 31 1.684 11.041 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.745 13.015 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.752 13.060 4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.293 15.054 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.752 14.042 3.053 1.00 0.00 H new ATOM 60 N THR A 32 1.946 9.777 2.462 1.00 0.00 N ATOM 61 CA THR A 32 1.280 9.240 1.256 1.00 0.00 C ATOM 62 C THR A 32 1.667 7.821 0.793 1.00 0.00 C ATOM 63 O THR A 32 1.512 7.519 -0.381 1.00 0.00 O ATOM 64 CB THR A 32 1.486 10.220 0.070 1.00 0.00 C ATOM 65 OG1 THR A 32 2.823 10.196 -0.375 1.00 0.00 O ATOM 66 CG2 THR A 32 1.172 11.684 0.382 1.00 0.00 C ATOM 0 H THR A 32 2.933 9.533 2.542 1.00 0.00 H new ATOM 0 HA THR A 32 0.239 9.147 1.566 1.00 0.00 H new ATOM 0 HB THR A 32 0.782 9.864 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.856 10.433 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.346 12.291 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.129 11.776 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.817 12.030 1.189 1.00 0.00 H new ATOM 74 N ARG A 33 2.150 6.921 1.670 1.00 0.00 N ATOM 75 CA ARG A 33 2.763 5.639 1.244 1.00 0.00 C ATOM 76 C ARG A 33 2.181 4.394 1.884 1.00 0.00 C ATOM 77 O ARG A 33 2.169 4.197 3.096 1.00 0.00 O ATOM 78 CB ARG A 33 4.262 5.611 1.507 1.00 0.00 C ATOM 79 CG ARG A 33 5.099 6.380 0.512 1.00 0.00 C ATOM 80 CD ARG A 33 6.486 6.770 1.021 1.00 0.00 C ATOM 81 NE ARG A 33 7.316 7.264 -0.083 1.00 0.00 N ATOM 82 CZ ARG A 33 8.416 7.990 -0.047 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.941 8.463 1.044 1.00 0.00 N ATOM 84 NH2 ARG A 33 9.006 8.254 -1.176 1.00 0.00 N ATOM 0 H ARG A 33 2.130 7.054 2.681 1.00 0.00 H new ATOM 0 HA ARG A 33 2.536 5.609 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.448 6.012 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.595 4.573 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.212 5.779 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.562 7.285 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.396 7.539 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.965 5.909 1.487 1.00 0.00 H new ATOM 0 HE ARG A 33 6.995 7.008 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.499 8.279 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.795 9.018 1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.615 7.902 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.859 8.813 -1.187 1.00 0.00 H new ATOM 98 N LEU A 34 1.780 3.475 1.029 1.00 0.00 N ATOM 99 CA LEU A 34 1.030 2.311 1.435 1.00 0.00 C ATOM 100 C LEU A 34 1.934 1.081 1.378 1.00 0.00 C ATOM 101 O LEU A 34 2.251 0.565 0.305 1.00 0.00 O ATOM 102 CB LEU A 34 -0.237 2.200 0.593 1.00 0.00 C ATOM 103 CG LEU A 34 -1.067 3.480 0.304 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.209 4.511 1.429 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.562 4.177 -0.955 1.00 0.00 C ATOM 0 H LEU A 34 1.968 3.518 0.027 1.00 0.00 H new ATOM 0 HA LEU A 34 0.696 2.396 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.044 1.767 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.897 1.485 1.085 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.074 3.082 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.814 5.348 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.692 4.047 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.222 4.872 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.157 5.071 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.483 4.458 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.650 3.501 -1.805 1.00 0.00 H new ATOM 117 N PHE A 35 2.369 0.667 2.568 1.00 0.00 N ATOM 118 CA PHE A 35 3.357 -0.370 2.818 1.00 0.00 C ATOM 119 C PHE A 35 2.606 -1.677 3.019 1.00 0.00 C ATOM 120 O PHE A 35 1.956 -1.964 4.027 1.00 0.00 O ATOM 121 CB PHE A 35 4.286 0.042 3.955 1.00 0.00 C ATOM 122 CG PHE A 35 5.345 -1.000 4.310 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.894 -1.851 3.321 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.760 -1.156 5.647 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.798 -2.867 3.673 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.662 -2.176 6.004 1.00 0.00 C ATOM 127 CZ PHE A 35 7.174 -3.037 5.020 1.00 0.00 C ATOM 0 H PHE A 35 2.016 1.075 3.433 1.00 0.00 H new ATOM 0 HA PHE A 35 4.031 -0.518 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.785 0.972 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.686 0.250 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.615 -1.718 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.382 -0.486 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.204 -3.517 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.960 -2.296 7.035 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.855 -3.829 5.295 1.00 0.00 H new ATOM 137 N VAL A 36 2.632 -2.433 1.939 1.00 0.00 N ATOM 138 CA VAL A 36 1.693 -3.496 1.641 1.00 0.00 C ATOM 139 C VAL A 36 2.462 -4.746 1.255 1.00 0.00 C ATOM 140 O VAL A 36 2.865 -4.956 0.115 1.00 0.00 O ATOM 141 CB VAL A 36 0.795 -2.874 0.564 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.137 -3.776 -0.177 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.128 -1.797 1.168 1.00 0.00 C ATOM 0 H VAL A 36 3.340 -2.318 1.213 1.00 0.00 H new ATOM 0 HA VAL A 36 1.068 -3.842 2.465 1.00 0.00 H new ATOM 0 HB VAL A 36 1.544 -2.509 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.705 -3.195 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.436 -4.545 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.823 -4.247 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.754 -1.372 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.761 -2.247 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.477 -1.009 1.616 1.00 0.00 H new ATOM 153 N ARG A 37 2.725 -5.553 2.284 1.00 0.00 N ATOM 154 CA ARG A 37 3.631 -6.717 2.233 1.00 0.00 C ATOM 155 C ARG A 37 3.075 -8.086 2.699 1.00 0.00 C ATOM 156 O ARG A 37 3.894 -8.978 2.930 1.00 0.00 O ATOM 157 CB ARG A 37 4.946 -6.303 2.934 1.00 0.00 C ATOM 158 CG ARG A 37 4.871 -5.903 4.410 1.00 0.00 C ATOM 159 CD ARG A 37 4.938 -7.125 5.324 1.00 0.00 C ATOM 160 NE ARG A 37 4.916 -6.716 6.738 1.00 0.00 N ATOM 161 CZ ARG A 37 5.921 -6.225 7.446 1.00 0.00 C ATOM 162 NH1 ARG A 37 7.153 -6.231 7.035 1.00 0.00 N ATOM 163 NH2 ARG A 37 5.716 -5.690 8.609 1.00 0.00 N ATOM 0 H ARG A 37 2.306 -5.417 3.204 1.00 0.00 H new ATOM 0 HA ARG A 37 3.794 -6.948 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.648 -7.132 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.372 -5.466 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.691 -5.225 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.944 -5.360 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.097 -7.787 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.846 -7.691 5.118 1.00 0.00 H new ATOM 0 HE ARG A 37 4.027 -6.823 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.385 -6.628 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.889 -5.839 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.771 -5.643 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.500 -5.316 9.143 1.00 0.00 H new ATOM 177 N PRO A 38 1.750 -8.325 2.839 1.00 0.00 N ATOM 178 CA PRO A 38 1.237 -9.601 3.349 1.00 0.00 C ATOM 179 C PRO A 38 1.426 -10.780 2.386 1.00 0.00 C ATOM 180 O PRO A 38 1.529 -11.934 2.809 1.00 0.00 O ATOM 181 CB PRO A 38 -0.265 -9.368 3.545 1.00 0.00 C ATOM 182 CG PRO A 38 -0.604 -8.380 2.450 1.00 0.00 C ATOM 183 CD PRO A 38 0.620 -7.469 2.485 1.00 0.00 C ATOM 0 HA PRO A 38 1.779 -9.872 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.833 -10.293 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.485 -8.965 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.729 -8.865 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.527 -7.838 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.780 -6.993 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.491 -6.671 3.216 1.00 0.00 H new ATOM 191 N PHE A 39 1.408 -10.482 1.091 1.00 0.00 N ATOM 192 CA PHE A 39 1.326 -11.443 -0.001 1.00 0.00 C ATOM 193 C PHE A 39 2.684 -12.045 -0.396 1.00 0.00 C ATOM 194 O PHE A 39 3.739 -11.474 -0.096 1.00 0.00 O ATOM 195 CB PHE A 39 0.720 -10.768 -1.247 1.00 0.00 C ATOM 196 CG PHE A 39 0.091 -9.398 -1.088 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.907 -8.254 -0.994 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.309 -9.253 -1.101 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.321 -6.986 -1.001 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.891 -7.976 -1.081 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.076 -6.839 -1.058 1.00 0.00 C ATOM 0 H PHE A 39 1.452 -9.518 0.760 1.00 0.00 H new ATOM 0 HA PHE A 39 0.697 -12.255 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.507 -10.688 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.039 -11.437 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.979 -8.356 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.939 -10.130 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.949 -6.108 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.966 -7.871 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.518 -5.854 -1.084 1.00 0.00 H new ATOM 211 N PRO A 40 2.664 -13.178 -1.119 1.00 0.00 N ATOM 212 CA PRO A 40 3.837 -13.688 -1.811 1.00 0.00 C ATOM 213 C PRO A 40 4.090 -12.911 -3.113 1.00 0.00 C ATOM 214 O PRO A 40 3.453 -11.893 -3.393 1.00 0.00 O ATOM 215 CB PRO A 40 3.530 -15.174 -2.060 1.00 0.00 C ATOM 216 CG PRO A 40 2.008 -15.194 -2.206 1.00 0.00 C ATOM 217 CD PRO A 40 1.545 -14.103 -1.246 1.00 0.00 C ATOM 0 HA PRO A 40 4.752 -13.568 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.026 -15.543 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.864 -15.799 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.700 -14.985 -3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.592 -16.166 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.661 -13.595 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.275 -14.524 -0.278 1.00 0.00 H new ATOM 225 N LEU A 41 5.009 -13.418 -3.941 1.00 0.00 N ATOM 226 CA LEU A 41 5.381 -12.884 -5.264 1.00 0.00 C ATOM 227 C LEU A 41 4.178 -12.613 -6.194 1.00 0.00 C ATOM 228 O LEU A 41 4.270 -11.828 -7.138 1.00 0.00 O ATOM 229 CB LEU A 41 6.347 -13.859 -5.966 1.00 0.00 C ATOM 230 CG LEU A 41 7.619 -14.369 -5.258 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.455 -13.228 -4.694 1.00 0.00 C ATOM 232 CD2 LEU A 41 7.371 -15.391 -4.148 1.00 0.00 C ATOM 0 H LEU A 41 5.542 -14.253 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 41 5.856 -11.921 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.765 -14.737 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.668 -13.379 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 41 8.164 -14.881 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.341 -13.633 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.759 -12.565 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.864 -12.668 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.323 -15.690 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.741 -14.946 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.872 -16.266 -4.564 1.00 0.00 H new ATOM 244 N ASP A 42 3.054 -13.289 -5.954 1.00 0.00 N ATOM 245 CA ASP A 42 1.836 -13.242 -6.763 1.00 0.00 C ATOM 246 C ASP A 42 1.073 -11.898 -6.722 1.00 0.00 C ATOM 247 O ASP A 42 0.237 -11.676 -7.602 1.00 0.00 O ATOM 248 CB ASP A 42 0.907 -14.391 -6.331 1.00 0.00 C ATOM 249 CG ASP A 42 1.557 -15.782 -6.456 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.377 -16.150 -5.579 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.231 -16.521 -7.415 1.00 0.00 O ATOM 0 H ASP A 42 2.964 -13.913 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 42 2.155 -13.351 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.602 -14.232 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.002 -14.365 -6.938 1.00 0.00 H new ATOM 256 N VAL A 43 1.325 -10.991 -5.764 1.00 0.00 N ATOM 257 CA VAL A 43 0.794 -9.611 -5.857 1.00 0.00 C ATOM 258 C VAL A 43 1.502 -8.876 -6.998 1.00 0.00 C ATOM 259 O VAL A 43 2.712 -9.009 -7.182 1.00 0.00 O ATOM 260 CB VAL A 43 0.883 -8.800 -4.549 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.317 -8.486 -4.104 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.098 -7.480 -4.679 1.00 0.00 C ATOM 0 H VAL A 43 1.881 -11.178 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.273 -9.702 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 43 0.444 -9.438 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.293 -7.913 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.860 -9.417 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.819 -7.904 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.171 -6.920 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.516 -6.887 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.949 -7.698 -4.890 1.00 0.00 H new ATOM 272 N GLN A 44 0.753 -8.089 -7.767 1.00 0.00 N ATOM 273 CA GLN A 44 1.242 -7.355 -8.936 1.00 0.00 C ATOM 274 C GLN A 44 0.416 -6.073 -9.093 1.00 0.00 C ATOM 275 O GLN A 44 -0.592 -5.865 -8.402 1.00 0.00 O ATOM 276 CB GLN A 44 1.146 -8.225 -10.210 1.00 0.00 C ATOM 277 CG GLN A 44 1.945 -9.544 -10.230 1.00 0.00 C ATOM 278 CD GLN A 44 3.464 -9.368 -10.298 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.997 -8.624 -11.115 1.00 0.00 O ATOM 280 NE2 GLN A 44 4.228 -10.073 -9.490 1.00 0.00 N ATOM 0 H GLN A 44 -0.240 -7.939 -7.590 1.00 0.00 H new ATOM 0 HA GLN A 44 2.292 -7.099 -8.792 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.096 -8.465 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.472 -7.620 -11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.698 -10.116 -9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.622 -10.136 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.805 -10.697 -8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.243 -9.995 -9.550 1.00 0.00 H new ATOM 289 N GLU A 45 0.830 -5.196 -10.013 1.00 0.00 N ATOM 290 CA GLU A 45 0.142 -3.921 -10.242 1.00 0.00 C ATOM 291 C GLU A 45 -1.353 -4.116 -10.529 1.00 0.00 C ATOM 292 O GLU A 45 -2.144 -3.289 -10.105 1.00 0.00 O ATOM 293 CB GLU A 45 0.813 -3.116 -11.371 1.00 0.00 C ATOM 294 CG GLU A 45 0.615 -1.601 -11.175 1.00 0.00 C ATOM 295 CD GLU A 45 0.533 -0.834 -12.512 1.00 0.00 C ATOM 296 OE1 GLU A 45 1.502 -0.879 -13.306 1.00 0.00 O ATOM 297 OE2 GLU A 45 -0.505 -0.171 -12.764 1.00 0.00 O ATOM 0 H GLU A 45 1.641 -5.346 -10.613 1.00 0.00 H new ATOM 0 HA GLU A 45 0.226 -3.348 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.878 -3.345 -11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.397 -3.418 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.298 -1.429 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.440 -1.204 -10.583 1.00 0.00 H new ATOM 304 N SER A 46 -1.774 -5.218 -11.159 1.00 0.00 N ATOM 305 CA SER A 46 -3.188 -5.590 -11.359 1.00 0.00 C ATOM 306 C SER A 46 -4.000 -5.786 -10.063 1.00 0.00 C ATOM 307 O SER A 46 -5.170 -5.401 -9.987 1.00 0.00 O ATOM 308 CB SER A 46 -3.273 -6.871 -12.216 1.00 0.00 C ATOM 309 OG SER A 46 -2.174 -7.755 -12.012 1.00 0.00 O ATOM 0 H SER A 46 -1.126 -5.898 -11.557 1.00 0.00 H new ATOM 0 HA SER A 46 -3.642 -4.739 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.200 -7.395 -11.984 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.318 -6.594 -13.269 1.00 0.00 H new ATOM 0 HG SER A 46 -2.259 -8.186 -11.136 1.00 0.00 H new ATOM 315 N GLU A 47 -3.396 -6.340 -9.010 1.00 0.00 N ATOM 316 CA GLU A 47 -4.034 -6.652 -7.737 1.00 0.00 C ATOM 317 C GLU A 47 -4.113 -5.380 -6.905 1.00 0.00 C ATOM 318 O GLU A 47 -5.139 -5.045 -6.315 1.00 0.00 O ATOM 319 CB GLU A 47 -3.133 -7.679 -7.038 1.00 0.00 C ATOM 320 CG GLU A 47 -3.463 -9.121 -7.440 1.00 0.00 C ATOM 321 CD GLU A 47 -3.355 -9.412 -8.951 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.315 -9.092 -9.569 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.315 -9.981 -9.521 1.00 0.00 O ATOM 0 H GLU A 47 -2.408 -6.593 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.041 -7.046 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.091 -7.467 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.237 -7.574 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.793 -9.795 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.476 -9.352 -7.111 1.00 0.00 H new ATOM 330 N LEU A 48 -3.024 -4.615 -6.953 1.00 0.00 N ATOM 331 CA LEU A 48 -2.966 -3.280 -6.406 1.00 0.00 C ATOM 332 C LEU A 48 -3.951 -2.353 -7.156 1.00 0.00 C ATOM 333 O LEU A 48 -4.637 -1.555 -6.529 1.00 0.00 O ATOM 334 CB LEU A 48 -1.496 -2.855 -6.485 1.00 0.00 C ATOM 335 CG LEU A 48 -0.537 -3.759 -5.682 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.853 -3.860 -6.278 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.271 -3.172 -4.321 1.00 0.00 C ATOM 0 H LEU A 48 -2.150 -4.919 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.287 -3.226 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.185 -2.851 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.404 -1.832 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.040 -4.726 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.468 -4.512 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.788 -4.272 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.304 -2.868 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.407 -3.824 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.182 -2.187 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.210 -3.080 -3.775 1.00 0.00 H new ATOM 349 N ASN A 49 -4.145 -2.512 -8.462 1.00 0.00 N ATOM 350 CA ASN A 49 -5.176 -1.769 -9.210 1.00 0.00 C ATOM 351 C ASN A 49 -6.595 -2.120 -8.730 1.00 0.00 C ATOM 352 O ASN A 49 -7.415 -1.221 -8.551 1.00 0.00 O ATOM 353 CB ASN A 49 -5.059 -1.987 -10.735 1.00 0.00 C ATOM 354 CG ASN A 49 -4.252 -0.910 -11.442 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.784 -0.035 -12.116 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.948 -0.959 -11.339 1.00 0.00 N ATOM 0 H ASN A 49 -3.599 -3.154 -9.037 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.998 -0.713 -9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.597 -2.957 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.059 -2.022 -11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.372 -0.268 -11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.508 -1.688 -10.778 1.00 0.00 H new ATOM 363 N GLU A 50 -6.890 -3.400 -8.478 1.00 0.00 N ATOM 364 CA GLU A 50 -8.182 -3.809 -7.904 1.00 0.00 C ATOM 365 C GLU A 50 -8.441 -3.237 -6.500 1.00 0.00 C ATOM 366 O GLU A 50 -9.569 -2.847 -6.188 1.00 0.00 O ATOM 367 CB GLU A 50 -8.277 -5.338 -7.835 1.00 0.00 C ATOM 368 CG GLU A 50 -8.760 -5.946 -9.158 1.00 0.00 C ATOM 369 CD GLU A 50 -9.160 -7.431 -9.023 1.00 0.00 C ATOM 370 OE1 GLU A 50 -8.501 -8.195 -8.274 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.146 -7.851 -9.680 1.00 0.00 O ATOM 0 H GLU A 50 -6.252 -4.174 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.942 -3.401 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.300 -5.750 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.960 -5.623 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.614 -5.376 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.971 -5.853 -9.905 1.00 0.00 H new ATOM 378 N ILE A 51 -7.412 -3.189 -5.648 1.00 0.00 N ATOM 379 CA ILE A 51 -7.541 -2.796 -4.229 1.00 0.00 C ATOM 380 C ILE A 51 -7.486 -1.269 -4.047 1.00 0.00 C ATOM 381 O ILE A 51 -8.199 -0.740 -3.196 1.00 0.00 O ATOM 382 CB ILE A 51 -6.432 -3.506 -3.425 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.664 -5.035 -3.366 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.282 -2.931 -2.007 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.420 -5.828 -2.936 1.00 0.00 C ATOM 0 H ILE A 51 -6.457 -3.422 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.518 -3.105 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.499 -3.320 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.477 -5.245 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.986 -5.384 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.490 -3.463 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.030 -1.872 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.220 -3.049 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.656 -6.892 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.611 -5.648 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.110 -5.507 -1.942 1.00 0.00 H new ATOM 397 N PHE A 52 -6.668 -0.562 -4.833 1.00 0.00 N ATOM 398 CA PHE A 52 -6.337 0.862 -4.662 1.00 0.00 C ATOM 399 C PHE A 52 -7.012 1.774 -5.698 1.00 0.00 C ATOM 400 O PHE A 52 -7.221 2.962 -5.445 1.00 0.00 O ATOM 401 CB PHE A 52 -4.833 1.080 -4.732 1.00 0.00 C ATOM 402 CG PHE A 52 -4.010 0.436 -3.639 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.864 -0.959 -3.577 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.313 1.235 -2.723 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.976 -1.555 -2.681 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.372 0.647 -1.870 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.163 -0.737 -1.897 1.00 0.00 C ATOM 0 H PHE A 52 -6.199 -0.979 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.719 1.133 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.478 0.707 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.642 2.153 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.450 -1.583 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.501 2.298 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.919 -2.630 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.805 1.263 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.369 -1.173 -1.308 1.00 0.00 H new ATOM 417 N GLY A 53 -7.418 1.217 -6.841 1.00 0.00 N ATOM 418 CA GLY A 53 -8.277 1.882 -7.828 1.00 0.00 C ATOM 419 C GLY A 53 -9.576 2.489 -7.256 1.00 0.00 C ATOM 420 O GLY A 53 -9.971 3.555 -7.740 1.00 0.00 O ATOM 0 H GLY A 53 -7.154 0.270 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.705 2.674 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.540 1.162 -8.603 1.00 0.00 H new ATOM 424 N PRO A 54 -10.233 1.909 -6.219 1.00 0.00 N ATOM 425 CA PRO A 54 -11.354 2.554 -5.521 1.00 0.00 C ATOM 426 C PRO A 54 -10.997 3.895 -4.860 1.00 0.00 C ATOM 427 O PRO A 54 -11.877 4.740 -4.678 1.00 0.00 O ATOM 428 CB PRO A 54 -11.837 1.545 -4.472 1.00 0.00 C ATOM 429 CG PRO A 54 -11.308 0.204 -4.972 1.00 0.00 C ATOM 430 CD PRO A 54 -9.980 0.621 -5.582 1.00 0.00 C ATOM 0 HA PRO A 54 -12.126 2.809 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.448 1.783 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.924 1.541 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.182 -0.516 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.972 -0.253 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.206 0.706 -4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.633 -0.115 -6.308 1.00 0.00 H new ATOM 438 N PHE A 55 -9.726 4.109 -4.484 1.00 0.00 N ATOM 439 CA PHE A 55 -9.268 5.343 -3.826 1.00 0.00 C ATOM 440 C PHE A 55 -9.086 6.447 -4.859 1.00 0.00 C ATOM 441 O PHE A 55 -9.531 7.582 -4.666 1.00 0.00 O ATOM 442 CB PHE A 55 -7.939 5.135 -3.079 1.00 0.00 C ATOM 443 CG PHE A 55 -7.806 3.856 -2.280 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.948 3.194 -1.795 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.536 3.277 -2.101 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.832 1.940 -1.182 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.413 2.065 -1.395 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.566 1.387 -0.962 1.00 0.00 C ATOM 0 H PHE A 55 -8.982 3.426 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.030 5.625 -3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.129 5.168 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.793 5.977 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.919 3.655 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.658 3.761 -2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.718 1.401 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.435 1.657 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.474 0.436 -0.458 1.00 0.00 H new ATOM 458 N GLY A 56 -8.458 6.071 -5.971 1.00 0.00 N ATOM 459 CA GLY A 56 -8.392 6.863 -7.180 1.00 0.00 C ATOM 460 C GLY A 56 -6.961 7.179 -7.613 1.00 0.00 C ATOM 461 O GLY A 56 -6.443 6.496 -8.508 1.00 0.00 O ATOM 0 H GLY A 56 -7.969 5.179 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.899 6.330 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.933 7.797 -7.025 1.00 0.00 H new ATOM 465 N PRO A 57 -6.302 8.184 -7.005 1.00 0.00 N ATOM 466 CA PRO A 57 -4.873 8.437 -7.212 1.00 0.00 C ATOM 467 C PRO A 57 -4.009 7.212 -6.825 1.00 0.00 C ATOM 468 O PRO A 57 -4.260 6.575 -5.808 1.00 0.00 O ATOM 469 CB PRO A 57 -4.560 9.669 -6.345 1.00 0.00 C ATOM 470 CG PRO A 57 -5.915 10.314 -6.067 1.00 0.00 C ATOM 471 CD PRO A 57 -6.856 9.119 -6.034 1.00 0.00 C ATOM 0 HA PRO A 57 -4.639 8.616 -8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.062 9.383 -5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.895 10.358 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.918 10.858 -5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.192 11.025 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.899 8.677 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.873 9.408 -6.299 1.00 0.00 H new ATOM 479 N MET A 58 -3.002 6.883 -7.650 1.00 0.00 N ATOM 480 CA MET A 58 -2.027 5.768 -7.505 1.00 0.00 C ATOM 481 C MET A 58 -0.725 6.122 -8.223 1.00 0.00 C ATOM 482 O MET A 58 -0.229 5.431 -9.119 1.00 0.00 O ATOM 483 CB MET A 58 -2.531 4.449 -8.066 1.00 0.00 C ATOM 484 CG MET A 58 -3.900 3.965 -7.580 1.00 0.00 C ATOM 485 SD MET A 58 -4.362 2.330 -8.216 1.00 0.00 S ATOM 486 CE MET A 58 -2.930 1.387 -7.628 1.00 0.00 C ATOM 0 H MET A 58 -2.828 7.421 -8.499 1.00 0.00 H new ATOM 0 HA MET A 58 -1.873 5.639 -6.434 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.568 4.535 -9.152 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.796 3.678 -7.832 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.899 3.935 -6.490 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.658 4.689 -7.878 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.196 0.333 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.105 1.502 -8.331 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.627 1.758 -6.649 1.00 0.00 H new ATOM 496 N LYS A 59 -0.214 7.283 -7.841 1.00 0.00 N ATOM 497 CA LYS A 59 0.954 7.919 -8.445 1.00 0.00 C ATOM 498 C LYS A 59 2.171 7.006 -8.569 1.00 0.00 C ATOM 499 O LYS A 59 2.944 7.162 -9.520 1.00 0.00 O ATOM 500 CB LYS A 59 1.221 9.212 -7.683 1.00 0.00 C ATOM 501 CG LYS A 59 2.614 9.811 -7.725 1.00 0.00 C ATOM 502 CD LYS A 59 3.519 9.267 -6.614 1.00 0.00 C ATOM 503 CE LYS A 59 3.633 10.270 -5.462 1.00 0.00 C ATOM 504 NZ LYS A 59 5.019 10.774 -5.283 1.00 0.00 N ATOM 0 H LYS A 59 -0.612 7.829 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 59 0.737 8.151 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.527 9.965 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.969 9.037 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.067 9.602 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.543 10.895 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.118 8.324 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.509 9.056 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.965 11.111 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.299 9.797 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.023 11.534 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.632 9.998 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.374 11.143 -6.188 1.00 0.00 H new ATOM 518 N GLU A 60 2.318 6.039 -7.672 1.00 0.00 N ATOM 519 CA GLU A 60 3.391 5.047 -7.719 1.00 0.00 C ATOM 520 C GLU A 60 3.020 3.789 -6.975 1.00 0.00 C ATOM 521 O GLU A 60 2.113 3.762 -6.147 1.00 0.00 O ATOM 522 CB GLU A 60 4.736 5.628 -7.243 1.00 0.00 C ATOM 523 CG GLU A 60 5.737 5.813 -8.391 1.00 0.00 C ATOM 524 CD GLU A 60 6.655 4.607 -8.627 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.198 3.444 -8.526 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.862 4.810 -8.902 1.00 0.00 O ATOM 0 H GLU A 60 1.688 5.918 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 60 3.525 4.770 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.562 6.589 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.168 4.967 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.186 6.021 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.352 6.688 -8.184 1.00 0.00 H new ATOM 533 N VAL A 61 3.724 2.735 -7.360 1.00 0.00 N ATOM 534 CA VAL A 61 3.435 1.348 -7.023 1.00 0.00 C ATOM 535 C VAL A 61 4.754 0.583 -7.077 1.00 0.00 C ATOM 536 O VAL A 61 5.040 -0.181 -8.008 1.00 0.00 O ATOM 537 CB VAL A 61 2.366 0.744 -7.983 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.696 -0.443 -7.299 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.238 1.668 -8.475 1.00 0.00 C ATOM 0 H VAL A 61 4.554 2.828 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 61 3.008 1.276 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 61 2.946 0.494 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.947 -0.871 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.446 -1.198 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.216 -0.109 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.572 1.110 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.674 2.041 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.668 2.508 -9.020 1.00 0.00 H new ATOM 549 N LYS A 62 5.621 0.866 -6.106 1.00 0.00 N ATOM 550 CA LYS A 62 6.943 0.241 -6.002 1.00 0.00 C ATOM 551 C LYS A 62 6.729 -1.215 -5.618 1.00 0.00 C ATOM 552 O LYS A 62 6.147 -1.472 -4.575 1.00 0.00 O ATOM 553 CB LYS A 62 7.765 0.986 -4.943 1.00 0.00 C ATOM 554 CG LYS A 62 7.878 2.503 -5.199 1.00 0.00 C ATOM 555 CD LYS A 62 9.246 2.923 -5.768 1.00 0.00 C ATOM 556 CE LYS A 62 9.701 2.122 -6.997 1.00 0.00 C ATOM 557 NZ LYS A 62 8.838 2.343 -8.191 1.00 0.00 N ATOM 0 H LYS A 62 5.427 1.539 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 62 7.490 0.290 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.312 0.824 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.766 0.557 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.094 2.807 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.701 3.037 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.205 3.979 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.997 2.820 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.727 2.396 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.705 1.060 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.195 1.777 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.863 2.056 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.853 3.350 -8.449 1.00 0.00 H new ATOM 571 N ILE A 63 7.135 -2.156 -6.462 1.00 0.00 N ATOM 572 CA ILE A 63 6.868 -3.592 -6.279 1.00 0.00 C ATOM 573 C ILE A 63 8.185 -4.370 -6.303 1.00 0.00 C ATOM 574 O ILE A 63 8.956 -4.314 -7.262 1.00 0.00 O ATOM 575 CB ILE A 63 5.798 -4.103 -7.269 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.435 -3.436 -6.966 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.638 -5.633 -7.185 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.409 -3.548 -8.098 1.00 0.00 C ATOM 0 H ILE A 63 7.667 -1.948 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 63 6.428 -3.763 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 63 6.127 -3.842 -8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.016 -3.887 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.601 -2.381 -6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.877 -5.959 -7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.587 -6.112 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.336 -5.912 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.484 -3.054 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.803 -3.071 -8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.209 -4.599 -8.305 1.00 0.00 H new ATOM 590 N LEU A 64 8.439 -5.062 -5.190 1.00 0.00 N ATOM 591 CA LEU A 64 9.704 -5.692 -4.817 1.00 0.00 C ATOM 592 C LEU A 64 9.453 -7.157 -4.453 1.00 0.00 C ATOM 593 O LEU A 64 9.073 -7.461 -3.327 1.00 0.00 O ATOM 594 CB LEU A 64 10.309 -4.983 -3.594 1.00 0.00 C ATOM 595 CG LEU A 64 10.762 -3.521 -3.716 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.664 -2.508 -4.043 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.420 -3.151 -2.389 1.00 0.00 C ATOM 0 H LEU A 64 7.720 -5.205 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 64 10.392 -5.621 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.573 -5.031 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.171 -5.566 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 64 11.438 -3.466 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.097 -1.510 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.205 -2.764 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.906 -2.527 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.760 -2.116 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.698 -3.266 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.272 -3.806 -2.210 1.00 0.00 H new ATOM 609 N ASN A 65 9.667 -8.064 -5.408 1.00 0.00 N ATOM 610 CA ASN A 65 9.360 -9.496 -5.300 1.00 0.00 C ATOM 611 C ASN A 65 7.896 -9.754 -4.855 1.00 0.00 C ATOM 612 O ASN A 65 7.010 -9.807 -5.706 1.00 0.00 O ATOM 613 CB ASN A 65 10.444 -10.171 -4.422 1.00 0.00 C ATOM 614 CG ASN A 65 11.848 -9.978 -4.979 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.158 -10.353 -6.104 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.741 -9.380 -4.217 1.00 0.00 N ATOM 0 H ASN A 65 10.073 -7.815 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 65 9.404 -9.966 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.397 -9.761 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.231 -11.237 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.688 -9.230 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.485 -9.067 -3.281 1.00 0.00 H new ATOM 623 N GLY A 66 7.631 -9.865 -3.548 1.00 0.00 N ATOM 624 CA GLY A 66 6.304 -10.033 -2.931 1.00 0.00 C ATOM 625 C GLY A 66 5.742 -8.801 -2.197 1.00 0.00 C ATOM 626 O GLY A 66 4.669 -8.889 -1.603 1.00 0.00 O ATOM 0 H GLY A 66 8.376 -9.839 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.597 -10.322 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.356 -10.861 -2.224 1.00 0.00 H new ATOM 630 N PHE A 67 6.429 -7.655 -2.229 1.00 0.00 N ATOM 631 CA PHE A 67 6.081 -6.468 -1.442 1.00 0.00 C ATOM 632 C PHE A 67 5.695 -5.298 -2.347 1.00 0.00 C ATOM 633 O PHE A 67 6.198 -5.171 -3.464 1.00 0.00 O ATOM 634 CB PHE A 67 7.272 -6.112 -0.542 1.00 0.00 C ATOM 635 CG PHE A 67 7.922 -7.314 0.109 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.141 -8.205 0.872 1.00 0.00 C ATOM 637 CD2 PHE A 67 9.284 -7.594 -0.103 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.720 -9.336 1.463 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.860 -8.747 0.460 1.00 0.00 C ATOM 640 CZ PHE A 67 9.083 -9.610 1.254 1.00 0.00 C ATOM 0 H PHE A 67 7.256 -7.524 -2.812 1.00 0.00 H new ATOM 0 HA PHE A 67 5.211 -6.683 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.018 -5.582 -1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.936 -5.426 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.086 -8.014 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.887 -6.924 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.122 -9.994 2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.902 -8.970 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.533 -10.483 1.703 1.00 0.00 H new ATOM 650 N ALA A 68 4.833 -4.422 -1.847 1.00 0.00 N ATOM 651 CA ALA A 68 4.339 -3.230 -2.517 1.00 0.00 C ATOM 652 C ALA A 68 4.455 -2.023 -1.587 1.00 0.00 C ATOM 653 O ALA A 68 4.190 -2.094 -0.388 1.00 0.00 O ATOM 654 CB ALA A 68 2.917 -3.484 -2.999 1.00 0.00 C ATOM 0 H ALA A 68 4.440 -4.532 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 68 4.943 -3.001 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.539 -2.594 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.913 -4.324 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.280 -3.716 -2.146 1.00 0.00 H new ATOM 660 N PHE A 69 4.858 -0.904 -2.170 1.00 0.00 N ATOM 661 CA PHE A 69 4.986 0.392 -1.525 1.00 0.00 C ATOM 662 C PHE A 69 4.357 1.375 -2.498 1.00 0.00 C ATOM 663 O PHE A 69 4.998 1.979 -3.366 1.00 0.00 O ATOM 664 CB PHE A 69 6.424 0.768 -1.102 1.00 0.00 C ATOM 665 CG PHE A 69 7.281 -0.359 -0.555 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.629 -1.426 -1.399 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.750 -0.348 0.765 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.335 -2.523 -0.908 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.554 -1.412 1.235 1.00 0.00 C ATOM 670 CZ PHE A 69 8.837 -2.507 0.390 1.00 0.00 C ATOM 0 H PHE A 69 5.118 -0.875 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 69 4.477 0.394 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.933 1.197 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.364 1.551 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.346 -1.396 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.498 0.471 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.493 -3.387 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.951 -1.387 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.440 -3.328 0.749 1.00 0.00 H new ATOM 680 N VAL A 70 3.032 1.388 -2.446 1.00 0.00 N ATOM 681 CA VAL A 70 2.231 2.309 -3.241 1.00 0.00 C ATOM 682 C VAL A 70 2.452 3.711 -2.677 1.00 0.00 C ATOM 683 O VAL A 70 2.877 3.870 -1.536 1.00 0.00 O ATOM 684 CB VAL A 70 0.771 1.815 -3.344 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.016 2.234 -4.589 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.707 0.311 -3.564 1.00 0.00 C ATOM 0 H VAL A 70 2.484 0.763 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 70 2.539 2.351 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 70 0.355 2.218 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.996 1.831 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.028 3.322 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.528 1.851 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.335 -0.003 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.224 0.056 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.186 -0.200 -2.729 1.00 0.00 H new ATOM 696 N GLU A 71 2.240 4.746 -3.474 1.00 0.00 N ATOM 697 CA GLU A 71 2.652 6.102 -3.129 1.00 0.00 C ATOM 698 C GLU A 71 1.748 7.075 -3.887 1.00 0.00 C ATOM 699 O GLU A 71 1.417 6.832 -5.055 1.00 0.00 O ATOM 700 CB GLU A 71 4.108 6.272 -3.593 1.00 0.00 C ATOM 701 CG GLU A 71 4.754 7.536 -3.026 1.00 0.00 C ATOM 702 CD GLU A 71 6.203 7.715 -3.497 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.118 7.103 -2.900 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.434 8.524 -4.431 1.00 0.00 O ATOM 0 H GLU A 71 1.777 4.672 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 71 2.576 6.291 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.688 5.402 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.138 6.309 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.168 8.405 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.731 7.495 -1.937 1.00 0.00 H new ATOM 711 N PHE A 72 1.378 8.181 -3.243 1.00 0.00 N ATOM 712 CA PHE A 72 0.419 9.134 -3.785 1.00 0.00 C ATOM 713 C PHE A 72 0.917 10.578 -3.799 1.00 0.00 C ATOM 714 O PHE A 72 1.805 10.981 -3.048 1.00 0.00 O ATOM 715 CB PHE A 72 -0.916 9.039 -3.048 1.00 0.00 C ATOM 716 CG PHE A 72 -1.570 7.676 -2.941 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.555 6.765 -4.014 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.276 7.360 -1.774 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.229 5.533 -3.888 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.010 6.171 -1.680 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.994 5.265 -2.744 1.00 0.00 C ATOM 0 H PHE A 72 1.739 8.440 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 72 0.282 8.851 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.768 9.420 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.619 9.710 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.031 7.008 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.254 8.041 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.156 4.795 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.585 5.956 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.573 4.355 -2.685 1.00 0.00 H new ATOM 731 N GLU A 73 0.347 11.349 -4.715 1.00 0.00 N ATOM 732 CA GLU A 73 0.659 12.753 -4.986 1.00 0.00 C ATOM 733 C GLU A 73 0.032 13.746 -3.982 1.00 0.00 C ATOM 734 O GLU A 73 0.403 14.921 -3.952 1.00 0.00 O ATOM 735 CB GLU A 73 0.291 13.050 -6.439 1.00 0.00 C ATOM 736 CG GLU A 73 -1.186 12.813 -6.751 1.00 0.00 C ATOM 737 CD GLU A 73 -1.481 11.450 -7.397 1.00 0.00 C ATOM 738 OE1 GLU A 73 -1.428 10.423 -6.684 1.00 0.00 O ATOM 739 OE2 GLU A 73 -1.769 11.408 -8.623 1.00 0.00 O ATOM 0 H GLU A 73 -0.389 10.994 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 73 1.729 12.905 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.541 14.087 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.898 12.426 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.759 12.897 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.537 13.602 -7.417 1.00 0.00 H new ATOM 746 N GLU A 74 -0.886 13.272 -3.140 1.00 0.00 N ATOM 747 CA GLU A 74 -1.538 14.003 -2.043 1.00 0.00 C ATOM 748 C GLU A 74 -1.924 13.048 -0.886 1.00 0.00 C ATOM 749 O GLU A 74 -1.767 11.827 -0.996 1.00 0.00 O ATOM 750 CB GLU A 74 -2.744 14.817 -2.575 1.00 0.00 C ATOM 751 CG GLU A 74 -3.627 14.138 -3.634 1.00 0.00 C ATOM 752 CD GLU A 74 -4.023 12.710 -3.237 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.751 12.562 -2.235 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.596 11.745 -3.910 1.00 0.00 O ATOM 0 H GLU A 74 -1.217 12.310 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.828 14.718 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.375 15.083 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.366 15.749 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.528 14.732 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.095 14.114 -4.585 1.00 0.00 H new ATOM 761 N ALA A 75 -2.410 13.593 0.231 1.00 0.00 N ATOM 762 CA ALA A 75 -2.645 12.842 1.472 1.00 0.00 C ATOM 763 C ALA A 75 -4.106 12.393 1.650 1.00 0.00 C ATOM 764 O ALA A 75 -4.470 11.864 2.697 1.00 0.00 O ATOM 765 CB ALA A 75 -2.097 13.664 2.648 1.00 0.00 C ATOM 0 H ALA A 75 -2.655 14.580 0.303 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.103 11.897 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.263 13.122 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.029 13.830 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.610 14.625 2.691 1.00 0.00 H new ATOM 771 N GLU A 76 -4.946 12.556 0.632 1.00 0.00 N ATOM 772 CA GLU A 76 -6.366 12.204 0.660 1.00 0.00 C ATOM 773 C GLU A 76 -6.634 10.803 0.132 1.00 0.00 C ATOM 774 O GLU A 76 -7.411 10.070 0.748 1.00 0.00 O ATOM 775 CB GLU A 76 -7.158 13.239 -0.146 1.00 0.00 C ATOM 776 CG GLU A 76 -7.890 14.157 0.817 1.00 0.00 C ATOM 777 CD GLU A 76 -9.128 13.436 1.393 1.00 0.00 C ATOM 778 OE1 GLU A 76 -10.019 13.041 0.602 1.00 0.00 O ATOM 779 OE2 GLU A 76 -9.194 13.219 2.625 1.00 0.00 O ATOM 0 H GLU A 76 -4.651 12.948 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.690 12.210 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.486 13.817 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.869 12.740 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.223 14.456 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.196 15.068 0.303 1.00 0.00 H new ATOM 786 N SER A 77 -5.976 10.404 -0.959 1.00 0.00 N ATOM 787 CA SER A 77 -5.957 9.004 -1.384 1.00 0.00 C ATOM 788 C SER A 77 -5.320 8.169 -0.280 1.00 0.00 C ATOM 789 O SER A 77 -5.801 7.085 0.015 1.00 0.00 O ATOM 790 CB SER A 77 -5.205 8.796 -2.694 1.00 0.00 C ATOM 791 OG SER A 77 -5.478 7.496 -3.182 1.00 0.00 O ATOM 0 H SER A 77 -5.449 11.033 -1.565 1.00 0.00 H new ATOM 0 HA SER A 77 -6.986 8.692 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.510 9.544 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.134 8.922 -2.537 1.00 0.00 H new ATOM 0 HG SER A 77 -4.773 6.882 -2.888 1.00 0.00 H new ATOM 797 N ALA A 78 -4.310 8.705 0.413 1.00 0.00 N ATOM 798 CA ALA A 78 -3.701 8.040 1.564 1.00 0.00 C ATOM 799 C ALA A 78 -4.672 7.946 2.747 1.00 0.00 C ATOM 800 O ALA A 78 -4.902 6.840 3.227 1.00 0.00 O ATOM 801 CB ALA A 78 -2.394 8.746 1.917 1.00 0.00 C ATOM 0 H ALA A 78 -3.894 9.610 0.191 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.467 7.008 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.935 8.254 2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.714 8.700 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.598 9.788 2.162 1.00 0.00 H new ATOM 807 N ALA A 79 -5.304 9.051 3.171 1.00 0.00 N ATOM 808 CA ALA A 79 -6.301 9.058 4.252 1.00 0.00 C ATOM 809 C ALA A 79 -7.424 8.036 4.014 1.00 0.00 C ATOM 810 O ALA A 79 -7.732 7.224 4.893 1.00 0.00 O ATOM 811 CB ALA A 79 -6.858 10.476 4.413 1.00 0.00 C ATOM 0 H ALA A 79 -5.136 9.973 2.769 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.810 8.756 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.598 10.488 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.046 11.160 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.327 10.791 3.481 1.00 0.00 H new ATOM 817 N LYS A 80 -8.001 8.017 2.808 1.00 0.00 N ATOM 818 CA LYS A 80 -9.013 7.008 2.491 1.00 0.00 C ATOM 819 C LYS A 80 -8.434 5.615 2.317 1.00 0.00 C ATOM 820 O LYS A 80 -9.049 4.683 2.812 1.00 0.00 O ATOM 821 CB LYS A 80 -9.888 7.408 1.301 1.00 0.00 C ATOM 822 CG LYS A 80 -9.194 7.324 -0.054 1.00 0.00 C ATOM 823 CD LYS A 80 -10.028 7.986 -1.176 1.00 0.00 C ATOM 824 CE LYS A 80 -9.830 9.499 -1.413 1.00 0.00 C ATOM 825 NZ LYS A 80 -10.089 10.333 -0.209 1.00 0.00 N ATOM 0 H LYS A 80 -7.791 8.671 2.054 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.662 6.965 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.769 6.767 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.239 8.429 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.220 7.809 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.014 6.279 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.808 7.468 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.082 7.815 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.809 9.674 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.492 9.821 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.154 11.333 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.983 10.037 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.311 10.213 0.471 1.00 0.00 H new ATOM 839 N ALA A 81 -7.257 5.457 1.718 1.00 0.00 N ATOM 840 CA ALA A 81 -6.607 4.151 1.600 1.00 0.00 C ATOM 841 C ALA A 81 -6.443 3.525 2.998 1.00 0.00 C ATOM 842 O ALA A 81 -6.804 2.370 3.228 1.00 0.00 O ATOM 843 CB ALA A 81 -5.253 4.249 0.877 1.00 0.00 C ATOM 0 H ALA A 81 -6.728 6.224 1.303 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.243 3.507 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.804 3.258 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.404 4.647 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.590 4.911 1.434 1.00 0.00 H new ATOM 849 N ILE A 82 -5.980 4.322 3.969 1.00 0.00 N ATOM 850 CA ILE A 82 -5.906 3.947 5.386 1.00 0.00 C ATOM 851 C ILE A 82 -7.271 3.469 5.887 1.00 0.00 C ATOM 852 O ILE A 82 -7.426 2.313 6.291 1.00 0.00 O ATOM 853 CB ILE A 82 -5.367 5.104 6.268 1.00 0.00 C ATOM 854 CG1 ILE A 82 -3.907 5.482 5.944 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.448 4.788 7.769 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.660 6.969 6.186 1.00 0.00 C ATOM 0 H ILE A 82 -5.639 5.266 3.787 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.196 3.124 5.469 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.018 5.946 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.229 4.892 6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.686 5.237 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.058 5.631 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.487 4.610 8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.857 3.898 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.623 7.209 5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.322 7.556 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.858 7.205 7.231 1.00 0.00 H new ATOM 868 N GLU A 83 -8.287 4.326 5.805 1.00 0.00 N ATOM 869 CA GLU A 83 -9.629 3.977 6.290 1.00 0.00 C ATOM 870 C GLU A 83 -10.284 2.799 5.523 1.00 0.00 C ATOM 871 O GLU A 83 -11.119 2.088 6.088 1.00 0.00 O ATOM 872 CB GLU A 83 -10.506 5.236 6.301 1.00 0.00 C ATOM 873 CG GLU A 83 -10.011 6.294 7.310 1.00 0.00 C ATOM 874 CD GLU A 83 -10.117 5.823 8.773 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.224 5.895 9.362 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.093 5.390 9.359 1.00 0.00 O ATOM 0 H GLU A 83 -8.212 5.263 5.410 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.529 3.605 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.523 5.672 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.531 4.958 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.973 6.543 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.592 7.208 7.185 1.00 0.00 H new ATOM 883 N GLU A 84 -9.849 2.514 4.290 1.00 0.00 N ATOM 884 CA GLU A 84 -10.359 1.452 3.407 1.00 0.00 C ATOM 885 C GLU A 84 -9.697 0.089 3.667 1.00 0.00 C ATOM 886 O GLU A 84 -10.370 -0.940 3.582 1.00 0.00 O ATOM 887 CB GLU A 84 -10.082 1.806 1.927 1.00 0.00 C ATOM 888 CG GLU A 84 -10.975 2.895 1.308 1.00 0.00 C ATOM 889 CD GLU A 84 -12.286 2.321 0.735 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.158 1.881 1.523 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.465 2.321 -0.502 1.00 0.00 O ATOM 0 H GLU A 84 -9.093 3.044 3.856 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.426 1.381 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.043 2.125 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.187 0.898 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.209 3.643 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.427 3.404 0.515 1.00 0.00 H new ATOM 898 N VAL A 85 -8.390 0.061 3.977 1.00 0.00 N ATOM 899 CA VAL A 85 -7.595 -1.187 3.987 1.00 0.00 C ATOM 900 C VAL A 85 -6.389 -1.224 4.949 1.00 0.00 C ATOM 901 O VAL A 85 -5.819 -2.291 5.164 1.00 0.00 O ATOM 902 CB VAL A 85 -7.240 -1.544 2.524 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.406 -0.473 1.823 1.00 0.00 C ATOM 904 CG2 VAL A 85 -6.576 -2.908 2.328 1.00 0.00 C ATOM 0 H VAL A 85 -7.855 0.893 4.226 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.222 -1.966 4.422 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.222 -1.596 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.193 -0.788 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.960 0.466 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.469 -0.331 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.368 -3.063 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.643 -2.943 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.244 -3.692 2.685 1.00 0.00 H new ATOM 914 N HIS A 86 -6.031 -0.147 5.657 1.00 0.00 N ATOM 915 CA HIS A 86 -5.038 -0.238 6.760 1.00 0.00 C ATOM 916 C HIS A 86 -5.534 -1.092 7.929 1.00 0.00 C ATOM 917 O HIS A 86 -6.529 -0.754 8.579 1.00 0.00 O ATOM 918 CB HIS A 86 -4.659 1.137 7.316 1.00 0.00 C ATOM 919 CG HIS A 86 -3.536 1.096 8.321 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.239 1.471 8.088 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.602 0.708 9.639 1.00 0.00 C ATOM 922 CE1 HIS A 86 -1.529 1.302 9.216 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.320 0.832 10.196 1.00 0.00 N ATOM 0 H HIS A 86 -6.402 0.790 5.498 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.165 -0.709 6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.371 1.787 6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.536 1.585 7.783 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.872 1.821 7.203 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.487 0.367 10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.475 1.513 9.320 1.00 0.00 H new ATOM 931 N GLY A 87 -4.820 -2.175 8.237 1.00 0.00 N ATOM 932 CA GLY A 87 -5.036 -2.977 9.454 1.00 0.00 C ATOM 933 C GLY A 87 -6.050 -4.098 9.231 1.00 0.00 C ATOM 934 O GLY A 87 -6.347 -4.882 10.136 1.00 0.00 O ATOM 0 H GLY A 87 -4.067 -2.528 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.088 -3.406 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.384 -2.329 10.258 1.00 0.00 H new ATOM 938 N LYS A 88 -6.566 -4.170 7.997 1.00 0.00 N ATOM 939 CA LYS A 88 -7.416 -5.218 7.462 1.00 0.00 C ATOM 940 C LYS A 88 -6.523 -6.368 7.022 1.00 0.00 C ATOM 941 O LYS A 88 -5.477 -6.136 6.422 1.00 0.00 O ATOM 942 CB LYS A 88 -8.121 -4.645 6.233 1.00 0.00 C ATOM 943 CG LYS A 88 -9.326 -3.727 6.509 1.00 0.00 C ATOM 944 CD LYS A 88 -8.940 -2.416 7.219 1.00 0.00 C ATOM 945 CE LYS A 88 -9.956 -1.301 6.962 1.00 0.00 C ATOM 946 NZ LYS A 88 -9.454 0.024 7.423 1.00 0.00 N ATOM 0 H LYS A 88 -6.382 -3.443 7.306 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.140 -5.565 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.391 -4.086 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.458 -5.475 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.818 -3.490 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.051 -4.264 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.862 -2.595 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.956 -2.095 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.181 -1.253 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.889 -1.534 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.089 0.774 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.424 0.041 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.498 0.183 7.046 1.00 0.00 H new ATOM 960 N SER A 89 -6.927 -7.592 7.313 1.00 0.00 N ATOM 961 CA SER A 89 -6.118 -8.802 7.112 1.00 0.00 C ATOM 962 C SER A 89 -6.191 -9.313 5.662 1.00 0.00 C ATOM 963 O SER A 89 -7.094 -10.084 5.321 1.00 0.00 O ATOM 964 CB SER A 89 -6.505 -9.886 8.125 1.00 0.00 C ATOM 965 OG SER A 89 -7.904 -10.134 8.155 1.00 0.00 O ATOM 0 H SER A 89 -7.848 -7.787 7.706 1.00 0.00 H new ATOM 0 HA SER A 89 -5.075 -8.538 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.981 -10.810 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.172 -9.585 9.118 1.00 0.00 H new ATOM 0 HG SER A 89 -8.243 -10.207 7.238 1.00 0.00 H new ATOM 971 N PHE A 90 -5.257 -8.902 4.796 1.00 0.00 N ATOM 972 CA PHE A 90 -5.186 -9.459 3.440 1.00 0.00 C ATOM 973 C PHE A 90 -4.338 -10.744 3.408 1.00 0.00 C ATOM 974 O PHE A 90 -3.278 -10.811 4.025 1.00 0.00 O ATOM 975 CB PHE A 90 -4.691 -8.380 2.479 1.00 0.00 C ATOM 976 CG PHE A 90 -4.989 -8.704 1.027 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.285 -9.719 0.355 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.077 -8.073 0.392 1.00 0.00 C ATOM 979 CE1 PHE A 90 -4.703 -10.142 -0.914 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.476 -8.475 -0.891 1.00 0.00 C ATOM 981 CZ PHE A 90 -5.802 -9.525 -1.536 1.00 0.00 C ATOM 0 H PHE A 90 -4.550 -8.197 5.005 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.180 -9.762 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.156 -7.429 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.616 -8.253 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.421 -10.173 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.606 -7.277 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.180 -10.943 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.300 -7.978 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.128 -9.858 -2.510 1.00 0.00 H new ATOM 991 N ALA A 91 -4.802 -11.754 2.660 1.00 0.00 N ATOM 992 CA ALA A 91 -4.240 -13.103 2.462 1.00 0.00 C ATOM 993 C ALA A 91 -4.002 -13.942 3.741 1.00 0.00 C ATOM 994 O ALA A 91 -4.509 -15.061 3.856 1.00 0.00 O ATOM 995 CB ALA A 91 -2.976 -12.997 1.590 1.00 0.00 C ATOM 0 H ALA A 91 -5.663 -11.639 2.126 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.012 -13.677 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.554 -13.991 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.235 -12.562 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.242 -12.363 2.088 1.00 0.00 H new ATOM 1001 N ASN A 92 -3.238 -13.415 4.702 1.00 0.00 N ATOM 1002 CA ASN A 92 -2.873 -14.036 5.978 1.00 0.00 C ATOM 1003 C ASN A 92 -2.559 -13.016 7.101 1.00 0.00 C ATOM 1004 O ASN A 92 -2.449 -13.424 8.262 1.00 0.00 O ATOM 1005 CB ASN A 92 -1.663 -14.964 5.729 1.00 0.00 C ATOM 1006 CG ASN A 92 -0.389 -14.204 5.392 1.00 0.00 C ATOM 1007 OD1 ASN A 92 0.425 -13.890 6.242 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -0.181 -13.850 4.143 1.00 0.00 N ATOM 0 H ASN A 92 -2.832 -12.484 4.603 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.734 -14.599 6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.492 -15.574 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.898 -15.647 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.654 -13.319 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.855 -14.106 3.421 1.00 0.00 H new ATOM 1015 N GLN A 93 -2.393 -11.717 6.797 1.00 0.00 N ATOM 1016 CA GLN A 93 -1.915 -10.703 7.760 1.00 0.00 C ATOM 1017 C GLN A 93 -2.335 -9.272 7.351 1.00 0.00 C ATOM 1018 O GLN A 93 -2.702 -9.028 6.195 1.00 0.00 O ATOM 1019 CB GLN A 93 -0.381 -10.834 7.915 1.00 0.00 C ATOM 1020 CG GLN A 93 0.405 -10.416 6.672 1.00 0.00 C ATOM 1021 CD GLN A 93 1.908 -10.651 6.795 1.00 0.00 C ATOM 1022 OE1 GLN A 93 2.684 -9.756 7.108 1.00 0.00 O ATOM 1023 NE2 GLN A 93 2.376 -11.845 6.507 1.00 0.00 N ATOM 0 H GLN A 93 -2.587 -11.336 5.871 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.384 -10.886 8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.058 -10.225 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.137 -11.869 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.028 -10.968 5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.225 -9.359 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.735 -12.594 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.380 -12.022 6.545 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.325 -8.302 8.284 1.00 0.00 N ATOM 1033 CA PRO A 94 -2.752 -6.949 7.966 1.00 0.00 C ATOM 1034 C PRO A 94 -1.735 -6.105 7.202 1.00 0.00 C ATOM 1035 O PRO A 94 -0.516 -6.263 7.301 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.118 -6.308 9.307 1.00 0.00 C ATOM 1037 CG PRO A 94 -2.220 -7.047 10.296 1.00 0.00 C ATOM 1038 CD PRO A 94 -2.188 -8.460 9.724 1.00 0.00 C ATOM 0 HA PRO A 94 -3.592 -6.997 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.923 -5.236 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.174 -6.441 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.224 -6.607 10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.628 -7.028 11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.255 -8.964 9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.998 -9.066 10.131 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.298 -5.161 6.455 1.00 0.00 N ATOM 1047 CA LEU A 95 -1.607 -4.116 5.709 1.00 0.00 C ATOM 1048 C LEU A 95 -1.084 -2.978 6.598 1.00 0.00 C ATOM 1049 O LEU A 95 -1.655 -2.681 7.651 1.00 0.00 O ATOM 1050 CB LEU A 95 -2.631 -3.521 4.731 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.031 -4.347 3.499 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -1.907 -5.206 2.945 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.249 -5.207 3.727 1.00 0.00 C ATOM 0 H LEU A 95 -3.311 -5.102 6.348 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.742 -4.561 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.539 -3.303 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.238 -2.568 4.378 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.275 -3.590 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.266 -5.759 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.074 -4.569 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.574 -5.907 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.477 -5.764 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.054 -5.905 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.098 -4.574 3.987 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.092 -2.246 6.081 1.00 0.00 N ATOM 1066 CA GLU A 96 0.407 -0.984 6.652 1.00 0.00 C ATOM 1067 C GLU A 96 0.310 0.144 5.602 1.00 0.00 C ATOM 1068 O GLU A 96 1.246 0.873 5.275 1.00 0.00 O ATOM 1069 CB GLU A 96 1.814 -1.177 7.220 1.00 0.00 C ATOM 1070 CG GLU A 96 2.135 -0.070 8.221 1.00 0.00 C ATOM 1071 CD GLU A 96 3.647 0.153 8.319 1.00 0.00 C ATOM 1072 OE1 GLU A 96 4.343 -0.771 8.804 1.00 0.00 O ATOM 1073 OE2 GLU A 96 4.140 1.233 7.909 1.00 0.00 O ATOM 0 H GLU A 96 0.401 -2.519 5.231 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.218 -0.679 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.887 -2.150 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.545 -1.169 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.645 0.855 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.737 -0.333 9.201 1.00 0.00 H new ATOM 1080 N VAL A 97 -0.884 0.248 5.031 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.311 1.283 4.073 1.00 0.00 C ATOM 1082 C VAL A 97 -1.258 2.613 4.817 1.00 0.00 C ATOM 1083 O VAL A 97 -2.144 2.851 5.639 1.00 0.00 O ATOM 1084 CB VAL A 97 -2.758 0.979 3.675 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.446 2.068 2.859 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -2.806 -0.310 2.848 1.00 0.00 C ATOM 0 H VAL A 97 -1.628 -0.421 5.229 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.682 1.312 3.183 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.294 0.896 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.465 1.759 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.469 2.994 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.896 2.230 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.837 -0.523 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.202 -0.188 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.413 -1.137 3.440 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.220 3.444 4.670 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.028 4.533 5.635 1.00 0.00 C ATOM 1098 C VAL A 98 0.813 5.687 5.066 1.00 0.00 C ATOM 1099 O VAL A 98 0.531 6.236 3.998 1.00 0.00 O ATOM 1100 CB VAL A 98 0.464 3.839 6.955 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.959 3.567 7.229 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.337 4.407 8.116 1.00 0.00 C ATOM 0 H VAL A 98 0.474 3.390 3.925 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.943 5.076 5.870 1.00 0.00 H new ATOM 0 HB VAL A 98 0.252 2.783 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.069 3.081 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.360 2.918 6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.506 4.510 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.012 3.939 9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.177 5.483 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.397 4.206 7.960 1.00 0.00 H new ATOM 1112 N TYR A 99 1.858 6.064 5.787 1.00 0.00 N ATOM 1113 CA TYR A 99 2.959 6.930 5.378 1.00 0.00 C ATOM 1114 C TYR A 99 4.229 6.085 5.112 1.00 0.00 C ATOM 1115 O TYR A 99 5.317 6.627 4.987 1.00 0.00 O ATOM 1116 CB TYR A 99 3.174 7.945 6.512 1.00 0.00 C ATOM 1117 CG TYR A 99 1.960 8.763 6.947 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.813 8.885 6.130 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.977 9.407 8.198 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.297 9.634 6.550 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.865 10.159 8.630 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.279 10.273 7.812 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.353 11.004 8.213 1.00 0.00 O ATOM 0 H TYR A 99 1.969 5.748 6.751 1.00 0.00 H new ATOM 0 HA TYR A 99 2.734 7.455 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.550 7.407 7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.957 8.638 6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.791 8.394 5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.848 9.325 8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.163 9.722 5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.889 10.650 9.592 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.182 11.376 9.103 1.00 0.00 H new ATOM 1133 N SER A 100 4.079 4.759 5.006 1.00 0.00 N ATOM 1134 CA SER A 100 5.095 3.699 4.976 1.00 0.00 C ATOM 1135 C SER A 100 6.249 3.901 5.966 1.00 0.00 C ATOM 1136 O SER A 100 7.320 4.385 5.591 1.00 0.00 O ATOM 1137 CB SER A 100 5.492 3.309 3.555 1.00 0.00 C ATOM 1138 OG SER A 100 6.595 2.419 3.488 1.00 0.00 O ATOM 0 H SER A 100 3.143 4.360 4.931 1.00 0.00 H new ATOM 0 HA SER A 100 4.615 2.804 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.636 2.848 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.733 4.213 2.995 1.00 0.00 H new ATOM 0 HG SER A 100 6.792 2.212 2.551 1.00 0.00 H new